!Source "The Drug Repurposing Hub, Broad Institute" !URL http://www.broadinstitute.org/repurposing !File_date 3/24/2020 !Table_name sample information !API_available We suggest using the available data API and/or custom web export function for additional annotation fields and database source information. !Disclaimer For research use only. Do not use the Repurposing Hub to make clinical treatment decisions. BROAD DOES NOT GUARANTEE OR WARRANT THE ACCURACY OF THE DATA WITHIN THE REPURPOSING HUB. RELIANCE ON THE REPURPOSING HUB IS AT THE USER'S SOLE RISK. !Restrictions The Drug Repurposing Hub data is provided for non-commercial use only. !Citation "Please cite usage as: Corsello SM, et al. Nature Medicine. 2017 Apr 7;23(4):405-408. doi: 10.1038/nm.4306." !Contact repurposing@broadinstitute.org broad_id pert_iname qc_incompatible purity vendor catalog_no vendor_name expected_mass smiles InChIKey pubchem_cid deprecated_broad_id BRD-K76022557-003-28-9 (R)-(-)-apomorphine 0 98.9 MedChemEx HY-12723A Apomorphine (hydrochloride hemihydrate) 267.126 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 VMWNQDUVQKEIOC-CYBMUJFWSA-N 6005 BRD-K76022557-003-02-7 (R)-(-)-apomorphine 0 97.34 Tocris 2073 (R)-(-)-Apomorphine hydrochloride 267.126 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 VMWNQDUVQKEIOC-CYBMUJFWSA-N 6005 BRD-K76022557-003-29-9 (R)-(-)-apomorphine 0 97.36 Tocris 2073 (R)-(-)-Apomorphine hydrochloride 267.126 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 VMWNQDUVQKEIOC-CYBMUJFWSA-N 6005 BRD-K76022557-001-03-9 (R)-(-)-apomorphine 0 95.8 Selleck S4350 R-(-)-Apomorphine HCl Hemihydrate 267.126 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 VMWNQDUVQKEIOC-CYBMUJFWSA-N 6005 BRD-K75516118-001-04-1 (R)-(-)-rolipram 0 93.92 Tocris 1349 (R)-(-)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1 HJORMJIFDVBMOB-LBPRGKRZSA-N 448055 BRD-K75516118-001-05-9 (R)-(-)-rolipram 0 93.75 Tocris 1349 (R)-(-)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1 HJORMJIFDVBMOB-LBPRGKRZSA-N 448055 BRD-K75516118-001-03-3 (R)-(-)-rolipram 0 97.48 Tocris 1349 (R)-(-)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1 HJORMJIFDVBMOB-LBPRGKRZSA-N 448055 BRD-K62353271-001-04-7 (R)-baclofen 0 96.78 Selleck S3072 (R)-baclofen 213.056 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 KPYSYYIEGFHWSV-QMMMGPOBSA-N 6918881 BRD-K62353271-001-02-1 (R)-baclofen 0 17.08 Selleck S3072 (R)-baclofen 213.056 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 KPYSYYIEGFHWSV-QMMMGPOBSA-N 6918881 BRD-K65856711-001-05-9 (S)-(+)-rolipram 0 94.78 Tocris 1350 (S)-(+)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-K65856711-001-03-6 (S)-(+)-rolipram 0 96.99 Selleck S2127 S- (+)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-K65856711-001-04-4 (S)-(+)-rolipram 0 98.17 Tocris 1350 (S)-(+)-Rolipram 275.152 COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-K89787693-001-01-1 "[sar9,met(o2)11]-substance-p" 0 Tocris 1178 "2-({5-amino-2-[({1-[6-amino-2-({[1-(2-amino-5-{[amino(imino)methyl]amino}pentanoyl)-2-pyrrolidinyl]carbonyl}amino)hexanoyl]-2-pyrrolidinyl}carbonyl)amino]-5-oxopentanoyl}amino)-N~1~-[13-(aminocarbonyl;)-1,4-dibenzyl-10-isobutyl-6-methyl-16,16-dioxido-2,5," 1392.734 CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O OUPXSLGGCPUZJJ-SARDKLJWSA-N 163829 BRD-K89787693-001-02-9 "[sar9,met(o2)11]-substance-p" 0 43.63 Bachem H-9410.0005 "(Sar9, Met(O2)11)-substance P" 1392.734 CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O OUPXSLGGCPUZJJ-SARDKLJWSA-N 163829 BRD-K88956297-003-01-9 "1-((Z)-3-chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium" 0 94.41 BidePharm BD51690 "1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride" 215.106 Cl\C=C/C[N+]12CN3CN(CN(C3)C1)C2 LDLCEGCJYSDJLX-UPHRSURJSA-N 5846454 BRD-K01825681-050-02-9 "1-(1,2-diphenylethyl)piperidine-(+/-)" 0 92.15 Tocris 360 "(+/-)-1-(1,2-Diphenylethyl)piperidine maleate" 265.183 C([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |&1:1| JQWJJJYHVHNXJH-LJQANCHMSA-N 44574903 BRD-K01825681-050-01-9 "1-(1,2-diphenylethyl)piperidine-(+/-)" 0 98.04 Tocris 360 "(?)-1-(1,2-Diphenylethyl)piperidine maleate" 381.194 C([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |&1:1| JQWJJJYHVHNXJH-LJQANCHMSA-N 44574903 BRD-A95802703-001-01-0 1-(2-chloro-5-methylphenoxy)-3-(isopropylamino)-2-propanol 0 92.38 Enamine Z1672746675 1-(2-chloro-5-methylphenoxy)-3-(isopropylamino)-2-propanol 257.118 "CC(C)NC[C@@H](O)COc1cc(C)ccc1Cl |&1:5,r|" NJEIOWSBPCZKTL-LLVKDONJSA-N 39359445 BRD-K96055017-003-02-7 1-acetyl-4-methylpiperazine 0 90.28 Tocris 351 1-Acetyl-4-methylpiperazine hydrochloride 142.111 CN1CCN(CC1)C(C)=O YSDBJKNOEWSFGA-UHFFFAOYSA-N 550758 BRD-K96055017-003-03-9 1-acetyl-4-methylpiperazine 0 73.57 Tocris 351 1-Acetyl-4-methylpiperazine hydrochloride 142.111 CN1CCN(CC1)C(C)=O YSDBJKNOEWSFGA-UHFFFAOYSA-N 550758 BRD-K03273112-001-01-8 1-azakenpaullone 0 90.5 Selleck S7193 1-Azakenpaullone 327.001 Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1 NTSBZVCEIVPKBJ-UHFFFAOYSA-N 6538897 BRD-K03273112-001-02-6 1-azakenpaullone 0 95.26 Selleck S7193 1-Azakenpaullone 327.001 Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1 NTSBZVCEIVPKBJ-UHFFFAOYSA-N 6538897 BRD-K89665618-003-04-9 1-deoxymannojirimycin 0 85 Tocris 1259 1-Deoxymannojirimycin hydrochloride 163.084 OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O LXBIFEVIBLOUGU-KVTDHHQDSA-N 72258 BRD-K89665618-003-02-5 1-deoxymannojirimycin 0 100 Tocris 1259 1-Deoxymannojirimycin hydrochloride 163.084 OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O LXBIFEVIBLOUGU-KVTDHHQDSA-N 72258 BRD-K70586315-001-03-2 1-EBIO 0 96.47 Tocris 1041 1-EBIO 162.079 CCn1c2ccccc2[nH]c1=O CXUCKELNYMZTRT-UHFFFAOYSA-N 82320 BRD-K70586315-001-04-9 1-EBIO 0 93.65 Tocris 1041 1-EBIO 162.079 CCn1c2ccccc2[nH]c1=O CXUCKELNYMZTRT-UHFFFAOYSA-N 82320 BRD-K70586315-001-02-4 1-EBIO 0 96.95 Tocris 1041 1-EBIO 162.079 CCn1c2ccccc2[nH]c1=O CXUCKELNYMZTRT-UHFFFAOYSA-N 82320 BRD-K08288352-001-03-6 1-ethyl-2-pyrrolidone 0 98.42 CombiBlocks QA-6551 1-Ethyl-2-pyrrolidone 113.084 CCN1CCCC1=O ZFPGARUNNKGOBB-UHFFFAOYSA-N 17595 BRD-K35114608-001-01-7 1-hexadecanal 0 0 DuPont A001212276 palmitaldehyde 240.245 CCCCCCCCCCCCCCCC=O NIOYUNMRJMEDGI-UHFFFAOYSA-N 984 BRD-K37203094-001-02-5 1-hexadecanol 1 0 Selleck S4173 1-Hexadecanol 242.261 CCCCCCCCCCCCCCCCO BXWNKGSJHAJOGX-UHFFFAOYSA-N 2682 BRD-K37203094-001-03-3 1-hexadecanol 1 0 Selleck S4173 1-Hexadecanol 242.261 CCCCCCCCCCCCCCCCO BXWNKGSJHAJOGX-UHFFFAOYSA-N 2682 BRD-K37203094-001-06-6 1-hexadecanol 1 0 Selleck S4173 C16:0 PALMITYL 242.261 CCCCCCCCCCCCCCCCO BXWNKGSJHAJOGX-UHFFFAOYSA-N 2682 BRD-K29542628-001-03-9 1-naphthyl-PP1 0 98.62 Tocris 3063 1-Naphthyl PP1 317.164 CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 XSHQBIXMLULFEV-UHFFFAOYSA-N 4877 BRD-K29542628-001-04-7 1-naphthyl-PP1 0 96.3 Tocris 3063 1-Naphthyl PP1 317.164 CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 XSHQBIXMLULFEV-UHFFFAOYSA-N 4877 BRD-K03083257-001-01-6 1-octacosanol 0 1.71 Acros 25813 "1-Octacosanol, 90+%" 410.449 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO CNNRPFQICPFDPO-UHFFFAOYSA-N 68406 BRD-K09338665-001-08-9 1-octanol 1 0 Enamine Z104473500 1-octanol 130.136 CCCCCCCCO KBPLFHHGFOOTCA-UHFFFAOYSA-N 957 BRD-K09338665-001-07-1 1-octanol 1 0 Enamine Z104473500 130.136 CCCCCCCCO KBPLFHHGFOOTCA-UHFFFAOYSA-N 957 BRD-K31491153-003-07-9 1-phenylbiguanide 0 96.75 Tocris 969 1-Phenylbiguanide hydrochloride 177.101 NC(N)=NC(=N)Nc1ccccc1 CUQCMXFWIMOWRP-UHFFFAOYSA-N 4780 BRD-K31491153-003-05-9 1-phenylbiguanide 0 95.79 Tocris 969 1-Phenylbiguanide hydrochloride 177.101 NC(N)=NC(=N)Nc1ccccc1 CUQCMXFWIMOWRP-UHFFFAOYSA-N 4780 BRD-K04603573-376-01-3 "1,12-Besm" 0 96.1 Tocris 500 "N~1~,N~4~-bis[3-(ethylamino)propyl]-1,4-butanediamine tetrahydrochloride" 258.278 CCNCCCNCCCCNCCCNCC PGMIWVSHZMWSSI-UHFFFAOYSA-N 4283 BRD-K06817181-001-02-3 "1,2,3,4,5,6-hexabromocyclohexane" 0 0 Tocris 2291 "1,2,3,4,5,6-Hexabromocyclohexane" 551.557 BrC1C(Br)C(Br)C(Br)C(Br)C1Br QFQZKISCBJKVHI-UHFFFAOYSA-N 74603 BRD-K06817181-001-03-9 "1,2,3,4,5,6-hexabromocyclohexane" 0 38.29 Tocris 2291 "1,2,3,4,5,6-Hexabromocyclohexane" 551.557 BrC1C(Br)C(Br)C(Br)C(Br)C1Br QFQZKISCBJKVHI-UHFFFAOYSA-N 74603 BRD-K41853443-001-03-9 "1,3-dipropyl-8-phenylxanthine" 0 95.79 Tocris 486 "1,3-Dipropyl-8-phenylxanthine" 312.159 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 CLIGSMOZKDCDRZ-UHFFFAOYSA-N 128784 BRD-K41853443-001-02-9 "1,3-dipropyl-8-phenylxanthine" 0 97.89 Tocris 486 "1,3-Dipropyl-8-phenylxanthine" 312.159 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 CLIGSMOZKDCDRZ-UHFFFAOYSA-N 128784 BRD-K22346679-001-06-3 "1,4-butanediol" 1 0 Sigma 68891 "1,4-butanediol" 90.068 OCCCCO WERYXYBDKMZEQL-UHFFFAOYSA-N 8064 BRD-K53083666-001-01-0 "1,5-dicaffeoylquinic-acid" 0 0 AnalytiCon NP-000244 516.127 O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O YDDUMTOHNYZQPO-PSEXTPKNSA-N 6474640 BRD-K53083666-001-02-9 "1,5-dicaffeoylquinic-acid" 0 95.94 MedChemEx HY-N1412 "1,3-Dicaffeoylquinic acid" 516.127 O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O YDDUMTOHNYZQPO-PSEXTPKNSA-N 6474640 BRD-K96631475-001-03-2 10-deacetylbaccatin 0 95.89 MedChemEx HY-16565 10-Deacetylbaccatin III 544.231 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C([C@@H](O)C1=O)C2(C)C |t:33| YWLXLRUDGLRYDR-ZHPRIASZSA-N 154272 BRD-K96631475-001-02-4 10-deacetylbaccatin 0 93.27 Selleck S2409 10-DAB (10-Deacetylbaccatin) 544.231 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C([C@@H](O)C1=O)C2(C)C |t:33| YWLXLRUDGLRYDR-ZHPRIASZSA-N 154272 BRD-K96631475-001-04-0 10-deacetylbaccatin 0 82.54 Selleck S2409 10-Deacetylbaccatin-III 544.231 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C([C@@H](O)C1=O)C2(C)C |t:33| YWLXLRUDGLRYDR-ZHPRIASZSA-N 154272 BRD-K61920224-001-01-8 BRD-K70792160-003-04-6 10-DEBC 0 97.32 Tocris 2558 10-DEBC hydrochloride 344.166 CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc12 GYBXAGDWMCJZJK-UHFFFAOYSA-N 10521421 BRD-K70792160-003-07-9 10-DEBC 0 96.07 Tocris 2558 10-DEBC hydrochloride 344.166 CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc12 GYBXAGDWMCJZJK-UHFFFAOYSA-N 10521421 BRD-K70792160-003-06-1 10-DEBC 0 87.3 Tocris 2558 10-DEBC hydrochloride 344.166 CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc12 GYBXAGDWMCJZJK-UHFFFAOYSA-N 10521421 BRD-K63784565-001-08-9 10-hydroxycamptothecin 0 97.94 MedChemEx HY-N0095 (S)-10-Hydroxycamptothecin 364.106 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O HAWSQZCWOQZXHI-FQEVSTJZSA-N 97226 BRD-K63784565-001-05-4 10-hydroxycamptothecin 0 4.36 Selleck S2423 (S)-10-Hydroxycamptothecin 364.106 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O HAWSQZCWOQZXHI-FQEVSTJZSA-N 97226 BRD-K63784565-001-06-2 10-hydroxycamptothecin 0 96.85 Selleck S2423 10-Hydroxycamptothecin 364.106 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O HAWSQZCWOQZXHI-FQEVSTJZSA-N 97226 BRD-K49460120-001-06-6 10058-F4 0 80.51 Tocris 4406 10058-F4 249.028 CCc1ccc(\C=C2\SC(=S)NC2=O)cc1 SVXDHPADAXBMFB-JXMROGBWSA-N 1271002 BRD-K49460120-001-05-8 10058-F4 0 95.6 Selleck S7153 10058-F4 249.028 CCc1ccc(\C=C2\SC(=S)NC2=O)cc1 SVXDHPADAXBMFB-JXMROGBWSA-N 1271002 BRD-K49460120-001-02-5 10058-F4 0 82.34 Selleck S7153 10058-F4 249.028 CCc1ccc(\C=C2\SC(=S)NC2=O)cc1 SVXDHPADAXBMFB-JXMROGBWSA-N 1271002 BRD-K68552125-001-05-3 12-O-tetradecanoylphorbol-13-acetate 0 97.9 Enzo PE160 Phorbol 12 myristate 13 acetate 616.398 "CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |c:33,t:22|" PHEDXBVPIONUQT-RGYGYFBISA-N 27924 BRD-K68552125-001-07-9 12-O-tetradecanoylphorbol-13-acetate 0 96.97 Sigma P8139 phorbol 12-myristate 13-acetate 616.398 "CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |c:33,t:22|" PHEDXBVPIONUQT-RGYGYFBISA-N 27924 BRD-K30237152-300-02-5 1400W 0 89.27 Tocris 1415 1400W dihydrochloride 177.127 CC(=N)NCc1cccc(CN)c1 RODUKNYOEVZQPR-UHFFFAOYSA-N 1433 BRD-K92301463-001-05-5 "16,16-dimethylprostaglandin-e2" 0 100 Enzo PG021 "16,16-Dimethyl-prostaglandin E2" 380.256 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O QAOBBBBDJSWHMU-WMBBNPMCSA-N 5283066 BRD-K92301463-001-06-9 "16,16-dimethylprostaglandin-e2" 0 0 Sigma MFCD00151141 "(5Z,11beta,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid" 380.256 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O QAOBBBBDJSWHMU-WMBBNPMCSA-N 5283066 BRD-K70264088-001-17-9 17-hydroxyprogesterone-caproate 0 89.88 MedChemEx HY-B0742 Hydroxyprogesterone caproate 428.293 CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:15| DOMWKUIIPQCAJU-LJHIYBGHSA-N 169870 BRD-K07395323-001-01-0 17-PA 0 0 Tocris 2681 17-PA 350.261 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccc1 |c:21| SINAMTXBCYKFDL-WBJZGETLSA-N 25068278 BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2|BRD-A34299591-001-23-2 BRD-K07395323-001-02-9 17-PA 0 94.15 Tocris 2681 17-PA 350.261 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccc1 |c:21| SINAMTXBCYKFDL-WBJZGETLSA-N 25068278 BRD-A37752546-001-01-9 1E-1-(2-hydroxy-5-methylphenyl)-1-dodecanone-oxime 0 98.81 Sigma MFCD00900589 (1E)-1-(2-hydroxy-5-methylphenyl)-1-dodecanone oxime 305.235 CCCCCCCCCCC[C@@H](N=O)c1cc(C)ccc1O |r| NFONIVRMILHYLH-GOSISDBHSA-N BRD-A37752546-001-02-9 1E-1-(2-hydroxy-5-methylphenyl)-1-dodecanone-oxime 0 83.97 Sigma MFCD00900589 (1E)-1-(2-hydroxy-5-methylphenyl)-1-dodecanone oxime 305.235 CCCCCCCCCCC[C@@H](N=O)c1cc(C)ccc1O |r| NFONIVRMILHYLH-GOSISDBHSA-N BRD-K27853494-003-04-7 "1S,2R-phenylpropanolamine" 0 98.2 MicroSource 1500484 "1S,2R-PHENYLPROPANOLAMINE HYDROCHLORIDE" 151.1 C[C@@H](N)[C@@H](O)c1ccccc1 DLNKOYKMWOXYQA-VXNVDRBHSA-N 26934 BRD-K75167327-001-01-6 2-(1-adamantylamino)benzoic-acid 0 97.76 Enamine T0514-6571 2-[(1-adamantylcarbonyl)amino]benzoic acid 299.152 OC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 XKZLSYWCDJZTMW-UHFFFAOYSA-N 2847479 BRD-A66788520-001-01-7 2-(3-mercaptopropyl)pentanedioic-acid 0 84.2 Tocris 5033 2-(3-mercaptopropyl)pentanedioic acid 206.061 "OC(=O)CC[C@@H](CCCS)C(O)=O |&1:5,r|" FNLNSQHJKVQCBP-ZCFIWIBFSA-N 11735892 BRD-A66788520-001-02-9 2-(3-mercaptopropyl)pentanedioic-acid 0 Tocris 5033 2-MPPA 206.061 "OC(=O)CC[C@@H](CCCS)C(O)=O |&1:5,r|" FNLNSQHJKVQCBP-ZCFIWIBFSA-N 11735892 BRD-K46989997-001-01-8 "2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one" 0 80.5 Enamine EN300-01894 "2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one" 254.028 ClC=C1Nc2sc3CCCCc3c2C(=O)N1 UTWSZXBGTLNPOV-UHFFFAOYSA-N BRD-K91868854-001-04-9 2-[1-(4-piperonyl)piperazinyl]benzothiazole 0 96.43 Tocris 736 2-[1-(4-Piperonyl)piperazinyl]benzothiazole 353.12 C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1 BYHKGNWKJMGHGE-UHFFFAOYSA-N 127902 BRD-K91868854-001-03-6 2-[1-(4-piperonyl)piperazinyl]benzothiazole 0 99.23 Tocris 736 2-[1-(4-Piperonyl)piperazinyl]benzothiazole 353.12 C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1 BYHKGNWKJMGHGE-UHFFFAOYSA-N 127902 BRD-K32681104-001-11-6 2-aminobenzenesulfonamide 0 99.54 Prestwick Prestw-913 2-Aminobenzenesulfonamide 172.031 Nc1ccccc1S(N)(=O)=O YAZSBRQTAHVVGE-UHFFFAOYSA-N 72894 BRD-K32681104-001-12-9 2-aminobenzenesulfonamide 0 MedChemEx HY-B2147 2-Aminobenzenesulfonamide 172.031 Nc1ccccc1S(N)(=O)=O YAZSBRQTAHVVGE-UHFFFAOYSA-N 72894 BRD-K13346085-001-05-9 2-APB 0 0 Tocris 1224 2-APB 225.132 NCCOB(c1ccccc1)c1ccccc1 BLZVCIGGICSWIG-UHFFFAOYSA-N 1598 BRD-K13346085-001-04-7 2-APB 0 0 Tocris 1224 2-APB 225.132 NCCOB(c1ccccc1)c1ccccc1 BLZVCIGGICSWIG-UHFFFAOYSA-N 1598 BRD-K22745370-003-02-3 2-BFI 0 97.63 Tocris 348 2-BFI hydrochloride 186.079 C1CN=C(N1)c1cc2ccccc2o1 |c:2| YTJOHEUHUVBKSB-UHFFFAOYSA-N 3080926 BRD-K70088346-001-02-4 2-chloro-N6-cyclopentyladenosine 0 97.57 Tocris 1705 2-Chloro-N6-cyclopentyladenosine 369.12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 123807 BRD-K70088346-001-06-9 2-chloro-N6-cyclopentyladenosine 0 93.87 Tocris 1705 2-Chloro-N6-cyclopentyladenosine 369.12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 123807 BRD-K70088346-001-01-6 2-chloro-N6-cyclopentyladenosine 0 98.41 Tocris 1705 2-Chloro-N6-cyclopentyladenosine 369.12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 123807 BRD-K79511609-001-20-0 2-chloroadenosine 0 98.42 Tocris 3136 2-Chloroadenosine 301.058 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O BIXYYZIIJIXVFW-UUOKFMHZSA-N 8974 BRD-K79511609-001-21-9 2-chloroadenosine 0 95.86 Tocris 3136 2-Chloroadenosine 301.058 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O BIXYYZIIJIXVFW-UUOKFMHZSA-N 8974 BRD-K84075000-001-06-9 2-chloropyrazine 0 0 MedChemEx HY-Y0109 Pyrazin-2-yl chloride 113.998 Clc1cnccn1 GELVZYOEQVJIRR-UHFFFAOYSA-N 73277 BRD-K84075000-001-05-5 2-chloropyrazine 0 94.15 Prestwick Prestw-1087 2-Chloropyrazine 113.998 Clc1cnccn1 GELVZYOEQVJIRR-UHFFFAOYSA-N 73277 BRD-K92588747-051-03-9 2-CMDO 0 92.34 Tocris 782 2-CMDO 326.119 CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| OTKUTGIVEREJLL-UHFFFAOYSA-N 32224 BRD-K92588747-051-02-7 2-CMDO 0 95.69 Tocris 782 2-CMDO 326.119 CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| OTKUTGIVEREJLL-UHFFFAOYSA-N 32224 BRD-A55902763-001-01-3 2-deoxy-2-([methyl(nitroso)carbamoyl]amino)hexose 0 0 Labotest LT00452082 2-deoxy-2-{[(1-methyl-2-oxohydrazino)carbonyl]amino}hexose 265.091 "CN([NH2+][O-])C(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO |&1:7,&2:10,&3:12,&4:14,r|" VUVHIMLGTHRGQZ-YTLHQDLWSA-N BRD-K97808269-001-02-7 2-deoxyglucose 0 100 Enzo AC1512 2-Deoxyglucose 164.068 OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O PMMURAAUARKVCB-ZXXMMSQZSA-N 9062 BRD-K97808269-001-03-9 2-deoxyglucose 0 100 MedChemEx HY-13966 2-Deoxy-D-glucose 164.068 OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O PMMURAAUARKVCB-ZXXMMSQZSA-N 9062 BRD-K04843302-001-02-5 2-ethoxybenzoic-acid 0 97.32 Enamine Z111665440 2-ethoxybenzoic acid 166.063 CCOc1ccccc1C(O)=O XDZMPRGFOOFSBL-UHFFFAOYSA-N 67252 BRD-A55455283-001-02-1 "2-ethyl-1,3-hexanediol" 1 0 Sigma MFCD00004578 "2-ethyl-1,3-hexanediol" 146.131 "CCC[C@@H](O)[C@@H](CC)CO |&1:3,&2:5,r|" RWLALWYNXFYRGW-JGVFFNPUSA-N 7057924 BRD-A55455283-001-01-3 "2-ethyl-1,3-hexanediol" 1 0 TCI E0119 146.131 "CCC[C@@H](O)[C@@H](CC)CO |&1:3,&2:5,r|" RWLALWYNXFYRGW-JGVFFNPUSA-N 7057924 BRD-A53037300-001-01-0 2-fluoro-2-deoxy-D-galactose 0 100 SantaCruz sc-220725 182.059 "OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O |&1:2,&2:4,&3:6,&4:8,&5:10,r|" ZCXUVYAZINUVJD-AIECOIEWSA-N 445913 BRD-K00004677-001-01-9 2-fluorofucose 0 0 Apollo BICL4256 2-Deoxy-2-fluoro-L-fucose 166.064 C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H]1O |&1:3| IRKXGKIPOMIQOD-QYESYBIKSA-N 446098 BRD-A52169337-001-01-9 "2-hydroxy-4-((E)-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexane-1,3,5-trione" 0 72.68 MedChemEx HY-N0567 "2-hydroxy-4-((E)-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-;2-yl)cyclohexane-1,3,5-trione" 612.169 "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1C(=O)C(=C(O)\C=C\c2ccc(O)cc2)C(=O)[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O |a:2,4,5,7,9,30,32,35,37,39,&1:11,&2:14,&3:28|" BWKBPVRNWJFLSC-FROSJQSHSA-N BRD-A52169337-001-02-7 "2-hydroxy-4-((E)-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexane-1,3,5-trione" 0 76.37 MedChemEx HY-N0567 Hydroxysafflor yellow A 612.169 "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1C(=O)C(=C(O)\C=C\c2ccc(O)cc2)C(=O)[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O |a:2,4,5,7,9,30,32,35,37,39,&1:11,&2:14,&3:28|" BWKBPVRNWJFLSC-FROSJQSHSA-N BRD-K41866823-001-01-3 2-hydroxyethyl-salicylate 0 97.62 Acros 17410 2-Hydroxyethyl salicylate 182.058 OCCOC(=O)c1ccccc1O LVYLCBNXHHHPSB-UHFFFAOYSA-N 6880 BRD-K82027074-001-08-3 2-hydroxyflutamide 0 97.66 Sigma MFCD00563126 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide 292.067 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O YPQLFJODEKMJEF-UHFFFAOYSA-N 91649 BRD-K82027074-001-07-5 2-hydroxyflutamide 0 99.33 Enamine Z1603855929 292.067 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O YPQLFJODEKMJEF-UHFFFAOYSA-N 91649 BRD-A27924917-001-03-3 2-hydroxysaclofen 0 96.08 Tocris 245 2-Hydroxysaclofen 265.018 "NC[C@@](O)(CS(O)(=O)=O)c1ccc(Cl)cc1 |&1:2,r|" WBSMZVIMANOCNX-SECBINFHSA-N 7005135 BRD-A27924917-001-04-9 2-hydroxysaclofen 0 91.07 Tocris 245 2-Hydroxysaclofen 265.018 "NC[C@@](O)(CS(O)(=O)=O)c1ccc(Cl)cc1 |&1:2,r|" WBSMZVIMANOCNX-SECBINFHSA-N 7005135 BRD-K07954936-001-02-9 2-iminobiotin 0 0 Sigma MFCD00066150 2-Iminobiotin 243.104 NC1=N[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2N1 |t:1| WWVANQJRLPIHNS-ZKWXMUAHSA-N 135678104 BRD-K07954936-001-01-3 2-iminobiotin 0 90.08 BroadPharm BP-20532 243.104 NC1=N[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2N1 |t:1| WWVANQJRLPIHNS-ZKWXMUAHSA-N 135678104 BRD-K56634222-001-03-0 2-iodohippuric-acid 0 98.84 Enamine Z85887266 304.955 OC(=O)CNC(=O)c1ccccc1I CORFWQGVBFFZHF-UHFFFAOYSA-N 8614 BRD-K56634222-001-04-9 2-iodohippuric-acid 0 98.45 Sigma MFCD00002694 2-Iodohippuric acid 304.955 OC(=O)CNC(=O)c1ccccc1I CORFWQGVBFFZHF-UHFFFAOYSA-N 8614 BRD-K25649279-001-03-9 2-iodomelatonin 0 96.09 Tocris 737 2-Iodomelatonin 358.018 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 FJDDSMSDZHURBJ-UHFFFAOYSA-N 115348 BRD-K25649279-001-02-0 2-iodomelatonin 0 89.11 Tocris 737 2-Iodomelatonin 358.018 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 FJDDSMSDZHURBJ-UHFFFAOYSA-N 115348 BRD-K44408410-001-21-8 2-methoxyestradiol 0 90.4 Tocris 1807 2-Methoxyestradiol 302.188 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O CQOQDQWUFQDJMK-SSTWWWIQSA-N 66414 BRD-K44408410-001-22-6 2-methoxyestradiol 0 91.3 Selleck S1233 2-Methoxyestradiol (2-MeOE2) 302.188 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O CQOQDQWUFQDJMK-SSTWWWIQSA-N 66414 BRD-K42136116-001-01-6 BRD-K44408410-001-17-6 2-methoxyestradiol 0 97.09 Tocris 1807 2-Methoxyestradiol 302.188 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O CQOQDQWUFQDJMK-SSTWWWIQSA-N 66414 BRD-K64137799-003-03-3 2-methyl-5-hydroxytryptamine 0 86.53 Tocris 558 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol hydrochloride 190.111 Cc1[nH]c2ccc(O)cc2c1CCN WYWNEDARFVJQSG-UHFFFAOYSA-N 1574 BRD-K64137799-003-02-5 2-methyl-5-hydroxytryptamine 0 97.17 Tocris 558 2-Methyl-5-hydroxytryptamine hydrochloride 190.111 Cc1[nH]c2ccc(O)cc2c1CCN WYWNEDARFVJQSG-UHFFFAOYSA-N 1574 BRD-K22327730-001-02-9 2-methyl-5-nitrophenol 0 86.08 MedChemEx HY-41508 2-Methyl-5-nitrophenol 153.043 Cc1ccc(cc1O)[N+]([O-])=O UMFDLIXUUJMPSI-UHFFFAOYSA-N 93576 BRD-K22327730-001-01-1 2-methyl-5-nitrophenol 0 0 Enamine Z415740552 153.043 Cc1ccc(cc1O)[N+]([O-])=O UMFDLIXUUJMPSI-UHFFFAOYSA-N 93576 BRD-K68534611-001-07-8 2-methylimidazole 0 93.95 Sigma Y0001320 2-methyl-1H-imidazole 82.053 Cc1ncc[nH]1 LXBGSDVWAMZHDD-UHFFFAOYSA-N 12749 BRD-A51407134-001-02-7 2-octyldodecan-1-ol 1 0 Sigma MFCD01310428 2-octyl-1-dodecanol 298.324 "CCCCCCCCCC[C@@H](CO)CCCCCCCC |&1:10,r|" LEACJMVNYZDSKR-FQEVSTJZSA-N 73415990 BRD-A51407134-001-01-9 2-octyldodecan-1-ol 1 0 Bepharm B77854 2-Octyldodecan-1-ol 298.324 "CCCCCCCCCC[C@@H](CO)CCCCCCCC |&1:10,r|" LEACJMVNYZDSKR-FQEVSTJZSA-N 73415990 BRD-K77087341-001-02-4 2-oleoylglycerol 0 94.8 Cayman 16537 2-hydroxy-1-(hydroxymethyl)ethyl (9Z)-9-octadecenoate 356.293 CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO UPWGQKDVAURUGE-KTKRTIGZSA-N 5319879 BRD-K89712525-001-03-9 2-oxoglutaric-acid 1 100 MedChemEx HY-W013636 2-Ketoglutaric acid 146.022 OC(=O)CCC(=O)C(O)=O KPGXRSRHYNQIFN-UHFFFAOYSA-N 51 BRD-K89712525-001-02-1 2-oxoglutaric-acid 1 0 Enamine Z57127547 146.022 OC(=O)CCC(=O)C(O)=O KPGXRSRHYNQIFN-UHFFFAOYSA-N 51 BRD-K89712525-001-04-9 2-oxoglutaric-acid 1 MedChemEx HY-W013636 2-Ketoglutaric acid 146.022 OC(=O)CCC(=O)C(O)=O KPGXRSRHYNQIFN-UHFFFAOYSA-N 51 BRD-K86587225-236-02-5 2-oxopropanoate 0 76.6 Sigma MFCD00002586 sodium 2-oxopropanoate 88.016 OC(=C)C(O)=O FEWFXBUNENSNBQ-UHFFFAOYSA-N 37873 BRD-K41869275-001-03-6 2-phenylmelatonin 0 97.9 Tocris 680 2-Phenylmelatonin 308.152 COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 OFCLARYYBGKCHN-UHFFFAOYSA-N 4018512 BRD-K41869275-001-04-9 2-phenylmelatonin 0 96.1 Tocris 680 2-Phenylmelatonin 308.152 COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 OFCLARYYBGKCHN-UHFFFAOYSA-N 4018512 BRD-K41869275-001-02-8 2-phenylmelatonin 0 93.49 Tocris 680 2-Phenylmelatonin 308.152 COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 OFCLARYYBGKCHN-UHFFFAOYSA-N 4018512 BRD-A04661934-001-03-9 2-PMDQ 0 97.31 Tocris 627 2-PMDQ 361.19 "O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(CC3)c3ccccc3)CN12 |&1:11,r,t:10|" ONSOQRPYFKDOEB-INIZCTEOSA-N BRD-A04661934-001-02-9 2-PMDQ 0 93.6 Tocris 627 2-PMDQ 361.19 "O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(CC3)c3ccccc3)CN12 |&1:11,r,t:10|" ONSOQRPYFKDOEB-INIZCTEOSA-N BRD-K17874705-300-04-0 2-pyridylethylamine 0 97.88 Tocris 2478 2-Pyridylethylamine dihydrochloride 122.084 NCCc1ccccn1 XPQIPUZPSLAZDV-UHFFFAOYSA-N 75919 BRD-K17874705-300-03-2 2-pyridylethylamine 0 90.42 Tocris 2478 2-Pyridylethylamine dihydrochloride 122.084 NCCc1ccccn1 XPQIPUZPSLAZDV-UHFFFAOYSA-N 75919 BRD-K89072800-001-02-9 2-TEDC 0 93.92 Tocris 645 2-TEDC 315.057 Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O KCGLTUBCAGZLHP-XYOKQWHBSA-N 6069552 BRD-K89072800-001-01-8 2-TEDC 0 94.84 Tocris 645 2-TEDC 315.057 Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O KCGLTUBCAGZLHP-XYOKQWHBSA-N 6069552 BRD-K58819470-001-06-9 2-thiouracil 0 100 MedChemEx HY-B0503 2-Thiouracil 128.004 O=c1cc[nH]c(=S)[nH]1 ZEMGGZBWXRYJHK-UHFFFAOYSA-N 1269845 BRD-K58819470-001-05-9 2-thiouracil 0 100 MicroSource 1503973 2-THIOURACIL 128.004 O=c1cc[nH]c(=S)[nH]1 ZEMGGZBWXRYJHK-UHFFFAOYSA-N 1269845 BRD-K58819470-001-04-2 2-thiouracil 0 96.52 Selleck S3100 2-Thiouracil 128.004 O=c1cc[nH]c(=S)[nH]1 ZEMGGZBWXRYJHK-UHFFFAOYSA-N 1269845 BRD-K44602126-001-01-3 "2,3-cis/exo-camphanediol" 0 0 BroadPharm BP-30021 170.131 CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2O AYEOSGBMQHXVER-DQUBFYRCSA-N 11768995 BRD-A75263867-001-01-1 "2,3-cis/exo-pinanediol" 0 0 Maybridge JFD01247 170.131 CC1(C)C2CC1[C@](C)(O)[C@H](O)C2 MOILFCKRQFQVFS-VUMZSGCYSA-N 12518181 BRD-K61734568-003-03-9 "2,3-DCPE" 0 95.44 Tocris 2137 "2,3-DCPE hydrochloride" 263.048 OCCNCCCOc1cccc(Cl)c1Cl QVEIRCZEBQRCTR-UHFFFAOYSA-N 2250975 BRD-K61734568-003-02-1 "2,3-DCPE" 0 100 Tocris 2137 "2,3-DCPE hydrochloride" 263.048 OCCNCCCOc1cccc(Cl)c1Cl QVEIRCZEBQRCTR-UHFFFAOYSA-N 2250975 BRD-K97833335-001-08-2 "2,4-dinitrochlorobenzene" 0 0 Sigma C3762 "1-chloro-2,4-dinitrobenzene" 201.978 [O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O VYZAHLCBVHPDDF-UHFFFAOYSA-N 6 BRD-K21910317-001-12-3 "2,4-dinitrophenol" 0 98.95 MicroSource 330008 "2,4-DINITROPHENOL" 184.012 Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O UFBJCMHMOXMLKC-UHFFFAOYSA-N 1493 BRD-K29791386-001-01-8 "2,5-furandimethanol" 0 0 Key TS-01680 "furan-2,5-diyldimethanol" 128.047 OCc1ccc(CO)o1 DSLRVRBSNLHVBH-UHFFFAOYSA-N 74663 BRD-A21276153-001-01-1 "2,6-dimethylpiperidine" 1 0 MicroSource 1301019 NANOFIN 113.12 "C[C@H]1CCC[C@@H](C)N1 |&1:1,&2:5,r|" SDGKUVSVPIIUCF-KNVOCYPGSA-N 641768 BRD-A21276153-001-02-9 "2,6-dimethylpiperidine" 1 0 MedChemEx HY-B1191 Nanofin 113.12 "C[C@H]1CCC[C@@H](C)N1 |&1:1,&2:5,r|" SDGKUVSVPIIUCF-KNVOCYPGSA-N 641768 BRD-K78092779-001-01-6 2'-C-methylguanosine 0 99.3 Sigma MFCD13194756 "(2R,3R,4R,5R)-2-(2-amino-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol" 297.107 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1[nH]c(N)nc2=O NVKAMPJSWMHVDK-GITKWUPZSA-N 135433495 BRD-K63932022-001-02-3 2'-MeCCPA 0 95.81 Tocris 2281 2'-MeCCPA 383.136 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 MMPAUXMIDJWGFO-ROMFRFKVSA-N 10475082 BRD-K63932022-001-01-5 2'-MeCCPA 0 95.78 Tocris 2281 2'-MeCCPA 383.136 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 MMPAUXMIDJWGFO-ROMFRFKVSA-N 10475082 BRD-K63932022-001-03-9 2'-MeCCPA 0 94.88 Tocris 2281 2'-MeCCPA 383.136 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 MMPAUXMIDJWGFO-ROMFRFKVSA-N 10475082 BRD-K00005345-001-01-9 20-HETE 0 0 MedChemEx HY-15598 20-HETE 320.235 OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O NNDIXBJHNLFJJP-DTLRTWKJSA-N 5283157 BRD-K28343777-001-01-6 20-hydroxyecdysone 0 92.15 Selleck S2417 20-Hydroxyecdysone 480.309 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C |t:16| NKDFYOWSKOHCCO-HMIIXLFTSA-N 25749233 BRD-A55464252-001-01-2 3-(4-methylbenzylidene)camphor 0 98.91 AlfaAesar A16566 "3-(4-Methylbenzylidene)camphor, 99+%" 254.167 "Cc1ccc(\C=C2\[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 |&1:7,&2:10,r|" HEOCBCNFKCOKBX-LBONJMQPSA-N 38988322 BRD-A55464252-001-02-0 3-(4-methylbenzylidene)camphor 0 93.62 Selleck S3704 "3-(4-Methylbenzylidene)camphor, 99+%" 254.167 "Cc1ccc(\C=C2\[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 |&1:7,&2:10,r|" HEOCBCNFKCOKBX-LBONJMQPSA-N 38988322 BRD-K00004218-003-01-9 3-alpha-bis-(4-fluorophenyl)-methoxytropane 0 95.34 Tocris 918 3alpha-Bis-(4-fluorophenyl) methoxytropane hydrochloride 343.175 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |&1:2,5,7|" MHNSOBBJZCWUGS-PMOLBWCYSA-N BRD-A43598550-001-09-4 3-alpha-hydroxy-5-beta-androstan-17-one 0 100 Prestwick Prestw-697 3-alpha-Hydroxy-5-beta-androstan-17-one 290.225 "C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |a:1,5,8,10,14,16,&1:4|" QGXBDMJGAMFCBF-BNSUEQOYSA-N 5880 BRD-K08703257-001-12-1 3-amino-benzamide 0 96.89 Selleck S1132 INO-1001 136.064 NC(=O)c1cccc(N)c1 GSCPDZHWVNUUFI-UHFFFAOYSA-N 1645 BRD-K08703257-001-13-9 3-amino-benzamide 0 97.46 Tocris 788 3-Aminobenzamide 136.064 NC(=O)c1cccc(N)c1 GSCPDZHWVNUUFI-UHFFFAOYSA-N 1645 BRD-K49721826-001-02-7 3-anilinopropan-1-ol 0 11.05 Enamine Z104584292 151.1 OCCCNc1ccccc1 GZYBSURBYCLNSM-UHFFFAOYSA-N 410467 BRD-K49721826-001-03-9 3-anilinopropan-1-ol 0 29.93 Enamine Z104584292 3-anilino-1-propanol 151.1 OCCCNc1ccccc1 GZYBSURBYCLNSM-UHFFFAOYSA-N 410467 BRD-K38370968-050-02-9 3-AQC 0 88.85 Tocris 666 3-AQC 279.148 C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N IDOXKFDPDOIUMG-UHFFFAOYSA-N 3073499 BRD-K38370968-050-01-3 3-AQC 0 78.92 Tocris 666 3-AQC 279.148 C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N IDOXKFDPDOIUMG-UHFFFAOYSA-N 3073499 BRD-K24689407-001-07-1 3-bromo-7-nitroindazole 0 97.43 Tocris 735 3-Bromo-7-nitroindazole 240.949 [O-][N+](=O)c1cccc2c(Br)[nH]nc12 NFSTZPMYAZRZPC-UHFFFAOYSA-N 1649 BRD-K24689407-001-08-9 3-bromo-7-nitroindazole 0 95.87 Tocris 735 3-Bromo-7-nitroindazole 240.949 [O-][N+](=O)c1cccc2c(Br)[nH]nc12 NFSTZPMYAZRZPC-UHFFFAOYSA-N 1649 BRD-K24689407-001-06-3 3-bromo-7-nitroindazole 0 97.63 Tocris 735 3-Bromo-7-nitroindazole 240.949 [O-][N+](=O)c1cccc2c(Br)[nH]nc12 NFSTZPMYAZRZPC-UHFFFAOYSA-N 1649 BRD-K00004535-001-01-9 3-bromocamphor 0 3.7 Pharmeks PHAR003359 "(1S,3R,4R)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" 230.031 "[H][C@]1(Br)[C@@H]2CC[C@@](C)(C1=O)C2(C)C |&1:1,3,6|" NJQADTYRAYFBJN-BYULHYEWSA-N 3006542 BRD-K92980438-001-05-8 3-bromopyruvate 0 0 MedChemEx HY-19992 3-Bromopyruvic acid 165.927 OC(=O)C(O)=CBr CHNJCELMWMIDSC-UHFFFAOYSA-N 129924149 BRD-K92980438-001-04-1 3-bromopyruvate 1 0 MedChemEx HY-19992 3-Bromopyruvic acid 165.927 OC(=O)C(O)=CBr CHNJCELMWMIDSC-UHFFFAOYSA-N 129924149 BRD-K92980438-001-03-3 3-bromopyruvate 1 0 Enamine EN300-67360 165.927 OC(=O)C(O)=CBr CHNJCELMWMIDSC-UHFFFAOYSA-N 129924149 BRD-K76592088-001-02-1 3-carboxy-4-hydroxyphenylglycine-(R) 0 85.96 Tocris 328 (R)-3-Carboxy-4-hydroxyphenylglycine 211.048 N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O CHZBCZTXSTWCIG-SSDOTTSWSA-N 6604713 BRD-K76592088-001-03-9 3-carboxy-4-hydroxyphenylglycine-(R) 0 100 Tocris 328 (R)-3-Carboxy-4-hydroxyphenylglycine 211.048 N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O CHZBCZTXSTWCIG-SSDOTTSWSA-N 6604713 BRD-K61585876-001-01-0 3-carboxy-4-hydroxyphenylglycine-(S) 0 87.81 Tocris 329 (S)-3-Carboxy-4-hydroxyphenylglycine 211.048 N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O CHZBCZTXSTWCIG-ZETCQYMHSA-N 5311460 BRD-K61585876-001-02-9 3-carboxy-4-hydroxyphenylglycine-(S) 0 100 Tocris 329 (S)-3-Carboxy-4-hydroxyphenylglycine 211.048 N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O CHZBCZTXSTWCIG-ZETCQYMHSA-N 5311460 BRD-K00004217-003-01-9 3-CPMT 0 94.3 Tocris 917 3-CPMT 341.155 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)O[C@H](c1ccccc1)c1ccc(Cl)cc1 |&1:2,5,7,&2:10,r,THB:0:1:3.4:6.7.8|" OCAXFDULERPAJM-IVAOSVALSA-N BRD-A79431551-001-01-1 3-deazaadenosine 0 100 Enzo AC992 3-Deazaadenosine 266.102 "Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |a:10,12,&1:15,&2:17|" DBZQFUNLCALWDY-GPUHXXMPSA-N 12769724 BRD-K77791657-001-01-1 3-deazaneplanocin-A 0 85.44 Selleck S7120 3-Deazaneplanocin A (DZNeP) 262.107 Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13| OMKHWTRUYNAGFG-IEBDPFPHSA-N 73087 BRD-K55942458-001-01-7 BRD-K77791657-003-02-9 3-deazaneplanocin-A 0 74.2 MedChemEx HY-12186 3-Deazaneplanocin A (hydrochloride) 262.107 Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13| OMKHWTRUYNAGFG-IEBDPFPHSA-N 73087 BRD-K77791657-003-01-7 3-deazaneplanocin-A 0 97.43 Selleck S7120 3-deazaneplanocin A (DZNeP) HCl 262.107 Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13| OMKHWTRUYNAGFG-IEBDPFPHSA-N 73087 BRD-A26105646-001-06-1 3-deazauridine 0 99.3 AMS A001578548 "1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridine-2,4(1H,3H)-dione" 243.074 "OC[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1ccc(O)cc1=O |&1:2,&2:4,&3:5,&4:7,r|" CBOKZNLSFMZJJA-PRQTWWFRSA-N BRD-A66143912-001-01-1 3-hydroxy-3-phenylpentanamide 0 96.14 Enamine Z2327510224 3-hydroxy-3-phenylpentanamide 193.11 "CC[C@@](O)(CC(N)=O)c1ccccc1 |&1:2,r|" MOHYRCCDARWQRM-LLVKDONJSA-N 101592120 BRD-K43187796-001-02-3 3-indolebutyric-acid 0 97.58 Selleck S2253 3-Indolebutyric acid (IBA) 203.095 OC(=O)CCCc1c[nH]c2ccccc12 JTEDVYBZBROSJT-UHFFFAOYSA-N 8617 BRD-A87125127-001-02-2 3-MATIDA 0 0 Tocris 2196 3-MATIDA 215.025 "Cc1cc(sc1[C@@H](N)C(O)=O)C(O)=O |&1:6,r|" KOMWRBFEDDEWEP-RXMQYKEDSA-N 92327883 BRD-A87125127-001-03-9 3-MATIDA 0 80 Tocris 2196 3-MATIDA 215.025 "Cc1cc(sc1[C@@H](N)C(O)=O)C(O)=O |&1:6,r|" KOMWRBFEDDEWEP-RXMQYKEDSA-N 92327883 BRD-K01825682-074-02-9 3-methyl-GABA 0 100 Tocris 386 3-Methyl-GABA 117.079 C[C@@H](CN)CC(O)=O |&1:1| CZGLBWZXGIAIBU-SCSAIBSYSA-N 6604938 BRD-K01825682-077-01-9 3-methyl-GABA 0 71.72 Tocris 386 3-Methyl-GABA 405.055 C[C@@H](CN)CC(O)=O |&1:1| CZGLBWZXGIAIBU-SCSAIBSYSA-N 6604938 BRD-M64651705-077-02-0 BRD-K81647657-001-04-3 3-methyladenine 0 100 Selleck S2767 3-Methyladenine 149.07 Cn1cnc(=N)c2[nH]cnc12 ZPBYVFQJHWLTFB-UHFFFAOYSA-N 135398661 BRD-K81647657-001-05-0 3-methyladenine 0 63.4 Selleck S2767 3-Methyladenine (3-MA) 149.07 Cn1cnc(=N)c2[nH]cnc12 ZPBYVFQJHWLTFB-UHFFFAOYSA-N 135398661 BRD-K62581435-001-04-9 3-MPPI 0 95.53 Tocris 581 3-MPPI 419.196 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 AQASGOHUMGAWJJ-UHFFFAOYSA-N 4013695 BRD-K62581435-001-03-8 3-MPPI 0 86.55 Tocris 581 3-MPPI 419.196 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 AQASGOHUMGAWJJ-UHFFFAOYSA-N 4013695 BRD-K82903013-001-02-9 "3,3'-dichlorobenzaldazine" 0 92.82 Tocris 1952 DCB 276.022 Clc1cccc(\C=N\N=C\c2cccc(Cl)c2)c1 XMOVWXSCYLINBJ-BEQMOXJMSA-N 6861557 BRD-K82903013-001-01-4 "3,3'-dichlorobenzaldazine" 0 96.54 Tocris 1952 DCB 276.022 Clc1cccc(\C=N\N=C\c2cccc(Cl)c2)c1 XMOVWXSCYLINBJ-BEQMOXJMSA-N 6861557 BRD-K50339813-001-01-1 BRD-K37846922-001-09-4 "3,3'-diindolylmethane" 0 87.7 Enzo GR207 Diindolylmethane 246.116 C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 VFTRKSBEFQDZKX-UHFFFAOYSA-N 3071 BRD-K37846922-001-10-2 "3,3'-diindolylmethane" 0 93.17 Sigma D9568 "3,3-diindolemethane" 246.116 C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 VFTRKSBEFQDZKX-UHFFFAOYSA-N 3071 BRD-A49947412-001-03-9 "3,4-DCPG-(+/-)" 0 0 Tocris 1394 "(RS)-3,4-DCPG" 239.043 "N[C@@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O |&1:1,r|" IJVMOGKBEVRBPP-SSDOTTSWSA-N 6604849 BRD-A49947412-001-02-0 "3,4-DCPG-(+/-)" 0 0 Tocris 1394 "(RS)-3,4-DCPG" 239.043 "N[C@@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O |&1:1,r|" IJVMOGKBEVRBPP-SSDOTTSWSA-N 6604849 BRD-K06204668-001-03-9 "3,4-DCPG-(R)" 0 100 Tocris 1395 "(R)-3,4-DCPG" 239.043 N[C@@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O IJVMOGKBEVRBPP-SSDOTTSWSA-N 6604849 BRD-K06204668-001-02-6 "3,4-DCPG-(R)" 0 0 Tocris 1395 "(R)-3,4-DCPG" 239.043 N[C@@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O IJVMOGKBEVRBPP-SSDOTTSWSA-N 6604849 BRD-K86305586-001-03-9 "3,4-DCPG-(S)" 0 0 Tocris 1302 "(S)-3,4-DCPG" 239.043 N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O IJVMOGKBEVRBPP-ZETCQYMHSA-N 16062593 BRD-K86305586-001-02-3 "3,4-DCPG-(S)" 0 0 Tocris 1302 "(S)-3,4-DCPG" 239.043 N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O IJVMOGKBEVRBPP-ZETCQYMHSA-N 16062593 BRD-K42205652-001-02-7 "3,4-methylenedioxy-beta-nitrostyrene" 0 88.09 Selleck S4921 "MNS (3,4-Methylenedioxy-?-nitrostyrene, MDBN)" 193.038 [O-][N+](=O)\C=C\c1ccc2OCOc2c1 KFLWBZPSJQPRDD-ONEGZZNKSA-N 672296 BRD-K42205652-001-05-0 "3,4-methylenedioxy-beta-nitrostyrene" 0 96.95 Selleck S4921 "MNS (3,4-Methylenedioxy-??-nitrostyrene)" 193.038 [O-][N+](=O)\C=C\c1ccc2OCOc2c1 KFLWBZPSJQPRDD-ONEGZZNKSA-N 672296 BRD-K57796080-001-04-9 "3,5-DHPG-(S)" 0 100 Tocris 805 "(S)-3,5-DHPG" 183.053 N[C@H](C(O)=O)c1cc(O)cc(O)c1 HOOWCUZPEFNHDT-ZETCQYMHSA-N 71668376 BRD-K57796080-001-03-7 "3,5-DHPG-(S)" 0 0 Tocris 805 "(S)-3,5-DHPG" 183.053 N[C@H](C(O)=O)c1cc(O)cc(O)c1 HOOWCUZPEFNHDT-ZETCQYMHSA-N 71668376 BRD-K45662124-050-02-3 3'-fluorobenzylspiperone 0 93.86 Tocris 701 3'-Fluorobenzylspiperone maleate 503.238 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1 DXZKTRNEOISOCA-UHFFFAOYSA-N 3248000 BRD-K45662124-050-03-9 3'-fluorobenzylspiperone 0 93.33 Tocris 701 3'-Fluorobenzylspiperone maleate 503.238 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1 DXZKTRNEOISOCA-UHFFFAOYSA-N 3248000 BRD-K45662124-050-01-5 3'-fluorobenzylspiperone 0 93.65 Tocris 701 3'-Fluorobenzylspiperone maleate 503.238 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1 DXZKTRNEOISOCA-UHFFFAOYSA-N 3248000 BRD-K58413118-001-01-8 3PO 0 92.61 MedChemEx HY-19824 3PO 210.079 O=C(\C=C\c1cccnc1)c1ccncc1 UOWGYMNWMDNSTL-ONEGZZNKSA-N 5720233 BRD-K47337578-034-03-3 4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine 0 93.98 Tocris 523 4F 4PP oxalate 339.2 Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1 FTJXZACAQRDRNT-UHFFFAOYSA-N 5234410 BRD-K47337578-034-04-9 4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine 0 93.33 Tocris 523 4F 4PP oxalate 339.2 Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1 FTJXZACAQRDRNT-UHFFFAOYSA-N 5234410 BRD-K47337578-034-02-5 4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine 0 97.38 Tocris 523 4F 4PP oxalate 339.2 Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1 FTJXZACAQRDRNT-UHFFFAOYSA-N 5234410 BRD-K00003517-001-01-9 4-(aminomethyl)benzoic-acid 0 0 MedChemEx HY-B1258 4-(Aminomethyl)benzoic acid 151.063 NCc1ccc(cc1)C(O)=O QCTBMLYLENLHLA-UHFFFAOYSA-N 65526 BRD-K97019106-005-02-9 "4-acetyl-1,1-dimethylpiperazinium" 0 87.43 Tocris 352 "4-Acetyl-1,1-dimethylpiperazinium iodide" 157.134 CC(=O)N1CC[N+](C)(C)CC1 MSBLMBWXUVQCDY-UHFFFAOYSA-N 4392675 BRD-K97019106-005-03-9 "4-acetyl-1,1-dimethylpiperazinium" 0 100 Tocris 352 "4-Acetyl-1,1-dimethylpiperazinium iodide" 157.134 CC(=O)N1CC[N+](C)(C)CC1 MSBLMBWXUVQCDY-UHFFFAOYSA-N 4392675 BRD-K65544384-001-15-8 4-aminohippuric-acid 0 100 MicroSource 1503069 AMINOHIPPURIC ACID 194.069 Nc1ccc(cc1)C(=O)NCC(O)=O HSMNQINEKMPTIC-UHFFFAOYSA-N 2148 BRD-K65544384-236-01-0 4-aminohippuric-acid 0 83.36 Selleck S4414 Sodium 4-aminohippurate Hydrate 194.069 Nc1ccc(cc1)C(=O)NCC(O)=O HSMNQINEKMPTIC-UHFFFAOYSA-N 2148 BRD-K65544384-236-03-6 4-aminohippuric-acid 0 85.47 MedChemEx HY-A0080 Aminohippurate (sodium) 194.069 Nc1ccc(cc1)C(=O)NCC(O)=O HSMNQINEKMPTIC-UHFFFAOYSA-N 2148 BRD-K65544384-001-14-1 4-aminohippuric-acid 0 96.42 Selleck S2883 4-Aminohippuric Acid 194.069 Nc1ccc(cc1)C(=O)NCC(O)=O HSMNQINEKMPTIC-UHFFFAOYSA-N 2148 BRD-K65544384-236-02-8 4-aminohippuric-acid 0 76.08 Selleck S4414 SodiuM 4-aMinohippurate hydrate 194.069 Nc1ccc(cc1)C(=O)NCC(O)=O HSMNQINEKMPTIC-UHFFFAOYSA-N 2148 BRD-A80383043-001-03-3 4-carboxy-3-hydroxyphenylglycine-(RS) 0 0 Tocris 310 (RS)-4-Carboxy-3-hydroxyphenylglycine 211.048 "N[C@@H](C(O)=O)c1ccc(C(O)=O)c(O)c1 |&1:1,r|" GXZSAQLJWLCLOX-SSDOTTSWSA-N 6604709 BRD-A80383043-001-04-9 4-carboxy-3-hydroxyphenylglycine-(RS) 0 0 Tocris 310 (RS)-4-Carboxy-3-hydroxyphenylglycine 211.048 "N[C@@H](C(O)=O)c1ccc(C(O)=O)c(O)c1 |&1:1,r|" GXZSAQLJWLCLOX-SSDOTTSWSA-N 6604709 BRD-K74133873-001-01-7 4-carboxy-3-hydroxyphenylglycine-(S) 0 0 Tocris 320 (S)-4-Carboxy-3-hydroxyphenylglycine 211.048 N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1 GXZSAQLJWLCLOX-ZETCQYMHSA-N 5311455 BRD-K74133873-001-02-9 4-carboxy-3-hydroxyphenylglycine-(S) 0 0 Tocris 320 (S)-4-Carboxy-3-hydroxyphenylglycine 211.048 N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1 GXZSAQLJWLCLOX-ZETCQYMHSA-N 5311455 BRD-K39160765-003-03-9 4-chlorophenylguanidine 0 92.23 Tocris 442 4-Chlorophenylguanidine hydrochloride 169.041 NC(=N)Nc1ccc(Cl)cc1 ZSJNJAJDBNFVCA-UHFFFAOYSA-N 2757788 BRD-K39160765-003-02-9 4-chlorophenylguanidine 0 94.15 Tocris 442 4-Chlorophenylguanidine hydrochloride 169.041 NC(=N)Nc1ccc(Cl)cc1 ZSJNJAJDBNFVCA-UHFFFAOYSA-N 2757788 BRD-A54139254-001-10-9 4-CMTB 0 92.55 Tocris 4642 4-CMTB 294.059 "CC(C)[C@@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1 |&1:3,r|" AZYDQCGCBQYFSE-GFCCVEGCSA-N 854190 BRD-A54139254-001-09-2 4-CMTB 0 95.73 Tocris 4642 4-CMTB 294.059 "CC(C)[C@@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1 |&1:3,r|" AZYDQCGCBQYFSE-GFCCVEGCSA-N 854190 BRD-K29313239-005-10-9 4-DAMP 0 95.95 Tocris 482 4-DAMP 324.196 C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 HYJRTXSYDAFGJK-UHFFFAOYSA-N 1734 BRD-K29313239-005-09-4 4-DAMP 0 0 Tocris 482 4-DAMP 324.196 C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 HYJRTXSYDAFGJK-UHFFFAOYSA-N 1734 BRD-A32796301-001-01-6 4-galactosyllactose 0 96.9 Key MD-0231 4-O-(4-O-beta-D-galactopyranosyl-beta-D-galactopyranosyl)-D-glucopyranose 504.169 "OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |a:2,4,6,7,9,11,13,14,16,21,25,28,30,32,&1:18|" FYGDTMLNYKFZSV-QGAOIPDPSA-N 67743883 BRD-K91758890-001-10-0 4-HQN 0 96.43 Tocris 2192 4-HQN 146.048 O=c1nc[nH]c2ccccc12 QMNUDYFKZYBWQX-UHFFFAOYSA-N 135408753 BRD-K91758890-001-11-9 4-HQN 0 95.6 Tocris 2192 4-HQN 146.048 O=c1nc[nH]c2ccccc12 QMNUDYFKZYBWQX-UHFFFAOYSA-N 135408753 BRD-K49759007-001-12-9 4-hydroxy-phenazone 0 92.54 MedChemEx HY-B2150 4-Hydroxyantipyrine 204.09 Cc1c(O)c(=O)n(-c2ccccc2)n1C SKVPTPMWXJSBTF-UHFFFAOYSA-N 98889 BRD-K49759007-001-11-9 4-hydroxy-phenazone 0 80.58 Prestwick Prestw-30 "Antipyrine, 4-hydroxy" 204.09 Cc1c(O)c(=O)n(-c2ccccc2)n1C SKVPTPMWXJSBTF-UHFFFAOYSA-N 98889 BRD-K62537556-001-02-5 4-IBP 0 98.48 Tocris 748 4-IBP 420.07 Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 HELCSESNNDZLFM-UHFFFAOYSA-N 132995 BRD-K25690923-001-02-4 4-iodo-6-phenylpyrimidine 0 98.51 Tocris 3429 4-IPP 281.965 Ic1cc(ncn1)-c1ccccc1 ZTCJXHNJVLUUMR-UHFFFAOYSA-N 817368 BRD-K66664625-001-02-9 4-iodo-L-phenylalanine 0 76.53 MedChemEx HY-W011472 H-D-Phe(4-I)-OH 290.976 N[C@H](Cc1ccc(I)cc1)C(O)=O PZNQZSRPDOEBMS-MRVPVSSYSA-N 7047041 BRD-K66664625-001-01-2 4-iodo-L-phenylalanine 0 87.58 Key PS-6219 290.976 N[C@H](Cc1ccc(I)cc1)C(O)=O PZNQZSRPDOEBMS-MRVPVSSYSA-N 7047041 BRD-K73303757-001-21-6 4-methylgenistein 0 95.83 Selleck S2377 Biochanin A 284.068 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O WUADCCWRTIWANL-UHFFFAOYSA-N 5280373 BRD-K70821460-300-02-4 4-methylhistamine 0 90.32 Tocris 2342 4-Methylhistamine dihydrochloride 125.095 Cc1nc[nH]c1CCN UGYXPZQILZRKJJ-UHFFFAOYSA-N 37463 BRD-K81316007-001-02-9 4-mu-8C 0 93.44 Tocris 4479 4mu8C 204.042 Cc1cc(=O)oc2c(C=O)c(O)ccc12 RTHHSXOVIJWFQP-UHFFFAOYSA-N 12934390 BRD-K81316007-001-01-8 4-mu-8C 0 94.67 Selleck S7272 4?8C 204.042 Cc1cc(=O)oc2c(C=O)c(O)ccc12 RTHHSXOVIJWFQP-UHFFFAOYSA-N 12934390 BRD-K00004224-001-01-9 4-P-PDOT 0 95.99 Tocris 1034 4-P-PDOT 279.162 "CCC(=O)N[C@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |&1:5,7|" RCYLUNPFECYGDW-AEFFLSMTSA-N 24750357 BRD-K41024817-325-01-0 4-phenolsulfonic-acid 0 92.14 Acros 12398 "4-Phenolsulfonic acid, sodium salt dihydrate, 99%" 173.999 Oc1ccc(cc1)S(O)(=O)=O FEPBITJSIHRMRT-UHFFFAOYSA-N 4765 BRD-A40504327-003-02-9 "4-phenyl-1,2,3,4-tetrahydroisoquinoline" 0 94.82 Tocris 730 "4-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride" 209.12 "C1NCc2ccccc2[C@@H]1c1ccccc1 |&1:9,r|" OSZMNJRKIPAVOS-HNNXBMFYSA-N 11820407 BRD-A40504327-003-03-9 "4-phenyl-1,2,3,4-tetrahydroisoquinoline" 0 0 Tocris 730 209.12 "C1NCc2ccccc2[C@@H]1c1ccccc1 |&1:9,r|" OSZMNJRKIPAVOS-HNNXBMFYSA-N 11820407 BRD-A40504327-001-03-9|BRD-A40504327-001-03-9 BRD-K78061844-050-02-7 4-PPBP 0 96.19 Tocris 620 4-PPBP maleate 293.214 C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1 HQGDPZPNAXRCSA-UHFFFAOYSA-N 3035672 BRD-K78061844-050-03-9 4-PPBP 0 95.73 Tocris 620 4-PPBP maleate 293.214 C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1 HQGDPZPNAXRCSA-UHFFFAOYSA-N 3035672 BRD-K78061844-050-01-9 4-PPBP 0 85.32 Tocris 620 4-PPBP maleate 293.214 C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1 HQGDPZPNAXRCSA-UHFFFAOYSA-N 3035672 BRD-K42108215-001-01-5 4-propylbenzoic-acid 0 0 Maybridge BTB09874 164.084 CCCc1ccc(cc1)C(O)=O ATZHGRNFEFVDDJ-UHFFFAOYSA-N 137601 BRD-K04552268-001-02-4 4-pyrimidinecarbonitrile 0 0 Enamine Z1116387809 4-pyrimidinecarbonitrile 105.033 N#Cc1ccncn1 ZIEWSZYVEDTXGH-UHFFFAOYSA-N 10313094 BRD-K06338106-001-01-4 4-tert-butylphenol 0 0 Enamine Z57127886 150.104 CC(C)(C)c1ccc(O)cc1 QHPQWRBYOIRBIT-UHFFFAOYSA-N 7393 BRD-K06338106-001-04-9 4-tert-butylphenol 0 80.77 Sigma MFCD00002367 4-tert-Butylphenol 150.104 CC(C)(C)c1ccc(O)cc1 QHPQWRBYOIRBIT-UHFFFAOYSA-N 7393 BRD-K49545903-003-01-4 "4,4-pentamethylenepiperidine" 0 100 Tocris 3692 "4,4-Pentamethylenepiperidine hydrochloride" 153.152 C1CCC2(CC1)CCNCC2 LIZKZVQBLDHKCY-UHFFFAOYSA-N 417412 BRD-K49545903-003-02-9 "4,4-pentamethylenepiperidine" 0 100 Tocris 3692 "4,4-Pentamethylenepiperidine hydrochloride" 153.152 C1CCC2(CC1)CCNCC2 LIZKZVQBLDHKCY-UHFFFAOYSA-N 417412 BRD-K51799616-001-05-5 "4,4'-DDT" 0 0 SantaCruz sc-238975 "4,4'-DDT" 351.915 Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl YVGGHNCTFXOJCH-UHFFFAOYSA-N 3036 BRD-K97118047-001-03-8 "4,5,6,7-tetrabromobenzotriazole" 0 95.81 Tocris 2275 TBB 430.69 Brc1c(Br)c(Br)c2n[nH]nc2c1Br OMZYUVOATZSGJY-UHFFFAOYSA-N 1694 BRD-K97118047-001-06-9 "4,5,6,7-tetrabromobenzotriazole" 0 96 Tocris 2275 TBB 430.69 Brc1c(Br)c(Br)c2n[nH]nc2c1Br OMZYUVOATZSGJY-UHFFFAOYSA-N 1694 BRD-K97118047-001-04-6 "4,5,6,7-tetrabromobenzotriazole" 0 97.69 Tocris 2275 TBB 430.69 Brc1c(Br)c(Br)c2n[nH]nc2c1Br OMZYUVOATZSGJY-UHFFFAOYSA-N 1694 BRD-A18598741-001-01-2 4BP-TQS 0 72.37 Tocris 4234 4BP-TQS 404.019 "NS(=O)(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@@H]3c2c1)c1ccc(Br)cc1 |&1:9,&2:10,&3:14,r,c:12|" YNCXHXYZTLIZTO-RLFYNMQTSA-N 6979017 BRD-A18598741-001-02-9 4BP-TQS 0 90.97 Tocris 4234 4BP-TQS 404.019 "NS(=O)(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@@H]3c2c1)c1ccc(Br)cc1 |&1:9,&2:10,&3:14,r,c:12|" YNCXHXYZTLIZTO-RLFYNMQTSA-N 6979017 BRD-K67173685-001-07-7 4E1RCat 0 65.3 Tocris 4215 4E1RCat 478.116 OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31| BBQRBOIMSKMFFO-LTGZKZEYSA-N 16195554 BRD-K67173685-001-08-5 4E1RCat 0 65.99 Selleck S7370 4E1RCat 478.116 OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31| BBQRBOIMSKMFFO-LTGZKZEYSA-N 16195554 BRD-K56468417-001-01-2 BRD-K67173685-001-09-9 4E1RCat 0 93.94 Tocris 4215 4E1RCat 478.116 OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31| BBQRBOIMSKMFFO-LTGZKZEYSA-N 16195554 BRD-K67173685-001-06-9 4E1RCat 0 93.43 Selleck S7370 4E1RCat 478.116 OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31| BBQRBOIMSKMFFO-LTGZKZEYSA-N 16195554 BRD-K00004308-001-01-9 4EGI-1 0 74.01 Tocris 4800 4EGI-1 449.996 OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc1nc(cs1)-c1ccc(Cl)c(Cl)c1 KFRKRECSIYXARE-UHFFFAOYSA-N 2831024 BRD-K11773281-001-02-0 4SC-202 0 96.41 MedChemEx HY-16012A 4SC-202 (free base) 447.137 Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 PRXXYMVLYKJITB-IZZDOVSWSA-N 15985904 BRD-K11773281-001-01-2 4SC-202 0 92.54 MedChemEx HY-16012A 4SC-202 (free base) 447.137 Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 PRXXYMVLYKJITB-IZZDOVSWSA-N 15985904 BRD-K11773281-075-02-4 4SC-202 0 93.08 Selleck S7555 4SC-202 447.137 Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 PRXXYMVLYKJITB-IZZDOVSWSA-N 15985904 BRD-K11773281-075-01-6 4SC-202 0 74.16 MedChemEx HY-16012 4SC-202 447.137 Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 PRXXYMVLYKJITB-IZZDOVSWSA-N 15985904 BRD-K58146797-001-01-2 "5-(4chlorophenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one" 0 0 AMS A002683787 "5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one" 223.051 CCn1c(n[nH]c1=O)-c1ccc(Cl)cc1 PXINDYJACXPZIN-UHFFFAOYSA-N 35793 BRD-K87535339-001-01-6 "5-amino-3-D-ribofuranosylthiazolo[4,5-d]pyrimidin-2,7(3H,6H)-dione" 0 98.58 Berry PRA 10047 316.048 Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 TZYVRXZQAWPIAB-FCLHUMLKSA-N 135409474 BRD-A99177285-001-01-9 BRD-K57631554-003-07-0 5-aminolevulinic-acid 0 100 MicroSource 1504184 AMINOLEVULINIC ACID HYDROCHLORIDE 131.058 NCC(=O)CCC(O)=O ZGXJTSGNIOSYLO-UHFFFAOYSA-N 7048523 BRD-K57631554-003-06-2 5-aminolevulinic-acid 0 100 Selleck S2553 5-Aminolevulinic acid HCl 131.058 NCC(=O)CCC(O)=O ZGXJTSGNIOSYLO-UHFFFAOYSA-N 7048523 BRD-K33690734-001-02-3 5-BDBD 0 98.81 Tocris 3579 5-BDBD 354 Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| NKYMVQPXXTZHSF-UHFFFAOYSA-N 9841560 BRD-K33690734-001-01-5 5-BDBD 0 98.15 Tocris 3579 5-BDBD 354 Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| NKYMVQPXXTZHSF-UHFFFAOYSA-N 9841560 BRD-K33690734-001-03-9 5-BDBD 0 97.79 Tocris 3579 5-BDBD 354 Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| NKYMVQPXXTZHSF-UHFFFAOYSA-N 9841560 BRD-K92382976-050-02-9 5-carboxamidotryptamine 0 94.32 Tocris 458 5-Carboxamidotryptamine maleate 203.106 NCCc1c[nH]c2ccc(cc12)C(N)=O WKZLNEWVIAGNAW-UHFFFAOYSA-N 1809 BRD-K92382976-050-01-1 5-carboxamidotryptamine 0 90.34 Tocris 458 5-Carboxamidotryptamine maleate 203.106 NCCc1c[nH]c2ccc(cc12)C(N)=O WKZLNEWVIAGNAW-UHFFFAOYSA-N 1809 BRD-K73381198-001-01-1 5-fluoro-3-pyridyl-methanol 0 96.92 Manchester B12130 127.043 OCc1cncc(F)c1 GGGJYJXAFSEWNM-UHFFFAOYSA-N 152449 BRD-K00004679-001-01-9 5-fluoropyrimidine 0 0 AMS A102809 5-fluoropyrimidine 98.028 Fc1cncnc1 KSPDSMOWMQFPBL-UHFFFAOYSA-N 69605 BRD-K24844714-001-25-2 5-fluorouracil 0 86.87 MicroSource 1500305 FLUOROURACIL 130.018 Fc1c[nH]c(=O)[nH]c1=O GHASVSINZRGABV-UHFFFAOYSA-N 3385 BRD-K24844714-001-24-5 5-fluorouracil 0 100 Selleck S1209 "Fluorouracil (5-Fluoracil, 5-FU)" 130.018 Fc1c[nH]c(=O)[nH]c1=O GHASVSINZRGABV-UHFFFAOYSA-N 3385 BRD-K34437622-001-08-0 5-FP 0 0 Sigma MFCD00223678 5-fluoro-2-pyrimidinol 114.023 Fc1cnc(=O)[nH]c1 HPABFFGQPLJKBP-UHFFFAOYSA-N 101498 BRD-K34437622-001-06-4 5-FP 0 0 Maybridge JFD02014 114.023 Fc1cnc(=O)[nH]c1 HPABFFGQPLJKBP-UHFFFAOYSA-N 101498 BRD-K86799112-001-04-6 5-HMF 0 82.24 Sigma MFCD00003234 5-(hydroxymethyl)-2-furaldehyde 126.032 OCc1ccc(C=O)o1 NOEGNKMFWQHSLB-UHFFFAOYSA-N 237332 BRD-K86799112-001-02-0 5-HMF 0 84.12 OxChem AX8022137 126.032 OCc1ccc(C=O)o1 NOEGNKMFWQHSLB-UHFFFAOYSA-N 237332 BRD-K86799112-001-03-8 5-HMF 0 0 Sigma 53407 5-(hydroxymethyl)-2-furaldehyde 126.032 OCc1ccc(C=O)o1 NOEGNKMFWQHSLB-UHFFFAOYSA-N 237332 BRD-K01666923-236-01-9 5-hydroxydecanoic-acid 0 64 Enzo BML-KC141-0100 5-hydroxydecanoate sodium salt 211.131 CCCCC[C@@H](O)CCCC(O)=O |&1:5| LMHJFKYQYDSOQO-SECBINFHSA-N 13309539 BRD-A96977263-236-01-3 BRD-K03871161-001-01-9 5-hydroxyectoine 0 97 Sigma MFCD01863080 "(4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid" 158.069 CC1=NC[C@H](O)[C@H](N1)C(O)=O |t:1| KIIBBJKLKFTNQO-WHFBIAKZSA-N 40488256 BRD-K03871161-001-02-9 5-hydroxyectoine 0 100 Sigma MFCD01863080 "(4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid" 158.069 CC1=NC[C@H](O)[C@H](N1)C(O)=O |t:1| KIIBBJKLKFTNQO-WHFBIAKZSA-N 40488256 BRD-K24603946-001-05-9 5-hydroxymethyl-tolterodine 0 96.55 MedChemEx HY-76569 Desfesoterodine 341.235 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C DUXZAXCGJSBGDW-HXUWFJFHSA-N 9819382 BRD-K24603946-001-02-1 5-hydroxymethyl-tolterodine 0 84.18 Selleck S2659 "5-hydroxymethyl Tolterodine (PNU 200577, 5-HMT, 5-HM)" 341.235 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C DUXZAXCGJSBGDW-HXUWFJFHSA-N 9819382 BRD-K24603946-001-03-9 5-hydroxymethyl-tolterodine 0 93.56 Selleck S2659 5-hydroxymethyl tolterodine (PNU 200577) 341.235 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C DUXZAXCGJSBGDW-HXUWFJFHSA-N 9819382 BRD-A73930134-001-02-2 5-hydroxytryptophan 0 0 Selleck S2374 5-hydroxytryptophan (5-HTP) 220.085 "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O |&1:1,r|" LDCYZAJDBXYCGN-VIFPVBQESA-N 6971044 BRD-A73930134-001-03-0 5-hydroxytryptophan 0 97.09 Selleck S2374 5-hydroxytryptophan (5-HTP) 220.085 "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O |&1:1,r|" LDCYZAJDBXYCGN-VIFPVBQESA-N 6971044 BRD-A73930134-001-04-8 5-hydroxytryptophan 0 95.93 Selleck S2374 5-hydroxytryptophan (5-HTP) 220.085 "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O |&1:1,r|" LDCYZAJDBXYCGN-VIFPVBQESA-N 6971044 BRD-K90065682-300-03-4 5-iodo-A-85380 0 93.6 Tocris 1518 3-[(2S)-2-azetidinylmethoxy]-5-iodopyridine dihydrochloride 289.992 Ic1cncc(OC[C@@H]2CCN2)c1 RKVRGRXOYDTUEY-QMMMGPOBSA-N 6604876 BRD-K90065682-300-02-6 5-iodo-A-85380 0 81.19 Tocris 1518 5-Iodo-A-85380 dihydrochloride 289.992 Ic1cncc(OC[C@@H]2CCN2)c1 RKVRGRXOYDTUEY-QMMMGPOBSA-N 6604876 BRD-K45437867-005-04-1 5-methylfurmethiodide 0 95.87 Tocris 588 "N,N,N-trimethyl(5-methyl-2-furyl)methanaminium iodide" 154.123 Cc1ccc(C[N+](C)(C)C)o1 KOWVJDFMEZKDDT-UHFFFAOYSA-N 4141 BRD-K45437867-005-03-3 5-methylfurmethiodide 0 81.16 Tocris 588 5-Methylfurmethiodide 154.123 Cc1ccc(C[N+](C)(C)C)o1 KOWVJDFMEZKDDT-UHFFFAOYSA-N 4141 BRD-K06050544-001-03-1 5-methylhydantoin-(D) 0 0 Selleck S4378 Methylhydantoin-5-(D) 114.043 C[C@H]1NC(=O)NC1=O VMAQYKGITHDWKL-UWTATZPHSA-N 1615267 BRD-K06050544-001-04-9 5-methylhydantoin-(D) 0 0 Selleck S4378 (D)-5-methylhydantoin 114.043 C[C@H]1NC(=O)NC1=O VMAQYKGITHDWKL-UWTATZPHSA-N 1615267 BRD-K56033645-001-07-5 5-methylhydantoin-(L) 0 89.08 Prestwick Prestw-860 Methylhydantoin-5-(L) 114.043 C[C@@H]1NC(=O)NC1=O VMAQYKGITHDWKL-REOHCLBHSA-N 6419931 BRD-K00004681-001-01-9 5-octanoylsalicylic-acid 0 94.63 AMS A132116 2-hydroxy-5-octanoylbenzoic acid 264.136 CCCCCCCC(=O)c1ccc(O)c(c1)C(O)=O IXIGWKNBFPKCCD-UHFFFAOYSA-N 9838158 BRD-K60287130-001-06-5 "5,7-dichlorokynurenic-acid" 0 96.57 Tocris 286 "5,7-Dichlorokynurenic acid" 256.965 OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 BGKFPRIGXAVYNX-UHFFFAOYSA-N 1779 BRD-K60287130-001-05-7 "5,7-dichlorokynurenic-acid" 0 98.43 Tocris 286 "5,7-Dichlorokynurenic acid" 256.965 OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 BGKFPRIGXAVYNX-UHFFFAOYSA-N 1779 BRD-K60287130-001-08-9 "5,7-dichlorokynurenic-acid" 0 94.01 Tocris 286 "5,7-Dichlorokynurenic acid" 256.965 OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 BGKFPRIGXAVYNX-UHFFFAOYSA-N 1779 BRD-K00004289-001-01-9 5'-chloro-5'-deoxy-ENBA-(+/-) 0 92.56 Tocris 3576 (+/-)-5'-Chloro-5'-deoxy-ENBA 379.141 "O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@H]3C4)ncnc12 |a:1,2,6,7,&1:17,20,&2:15|" PVJGDYDNVNCGBT-CYDCOVMPSA-N BRD-K00656370-001-10-5 6-aminochrysene 0 30.33 Sigma MFCD00003699 6-chrysenamine 243.105 Nc1cc2c3ccccc3ccc2c2ccccc12 KIVUHCNVDWYUNP-UHFFFAOYSA-N 17534 BRD-K30284967-001-01-8 6-aminopenicillanic-acid 0 0 Enamine Z1269203097 216.057 CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O NGHVIOIJCVXTGV-ALEPSDHESA-N 7057887 BRD-K30284967-001-02-9 6-aminopenicillanic-acid 0 100 Sigma A70909 (+)-6-Aminopenicillanic acid 216.057 CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O NGHVIOIJCVXTGV-ALEPSDHESA-N 7057887 BRD-K62929068-001-26-9 6-benzylaminopurine 0 98.08 Sigma MFCD00005572 N6-Benzyladenine 225.101 C(Nc1ncnc2nc[nH]c12)c1ccccc1 NWBJYWHLCVSVIJ-UHFFFAOYSA-N 62389 BRD-K62929068-001-16-5 6-benzylaminopurine 0 99.22 Prestwick Prestw-189 "Aminopurine, 6-benzyl" 225.101 C(Nc1ncnc2nc[nH]c12)c1ccccc1 NWBJYWHLCVSVIJ-UHFFFAOYSA-N 62389 BRD-K34663752-001-10-9 6-chloromelatonin 0 97.22 Tocris 443 6-Chloromelatonin 266.082 COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl LUINDDOUWHRIPW-UHFFFAOYSA-N 1858 BRD-K34663752-001-11-9 6-chloromelatonin 0 95.65 Tocris 443 6-Chloromelatonin 266.082 COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl LUINDDOUWHRIPW-UHFFFAOYSA-N 1858 BRD-K34663752-001-09-1 6-chloromelatonin 0 95.73 Tocris 443 6-Chloromelatonin 266.082 COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl LUINDDOUWHRIPW-UHFFFAOYSA-N 1858 BRD-K84924563-001-04-9 6-diazo-5-oxo-L-norleucine 0 0 Sigma D2141 (2S)-2-amino-6-diazo-5-oxohexanoic acid 172.072 N[C@@H](CCC(=O)C[N+]#N)C(O)=O UUTYCZUIECRVAL-YFKPBYRVSA-O 73707377 BRD-K84924563-001-03-8 6-diazo-5-oxo-L-norleucine 0 0 ChemImpex 7038 172.072 N[C@@H](CCC(=O)C[N+]#N)C(O)=O UUTYCZUIECRVAL-YFKPBYRVSA-O 73707377 BRD-K49236613-001-03-9 6-iodo-nordihydrocapsaicin 0 88.59 Tocris 1975 6-Iodonordihydrocapsaicin 419.096 CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I AAORACFZMYMFCG-UHFFFAOYSA-N 5149140 BRD-K49236613-001-02-3 6-iodo-nordihydrocapsaicin 0 92.2 Tocris 1975 6-Iodonordihydrocapsaicin 419.096 CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I AAORACFZMYMFCG-UHFFFAOYSA-N 5149140 BRD-K48329353-001-03-9 "6,7-dehydro-17-acetoxy-progesterone" 0 100 InterBioScreen STOCK1N-54662 "(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate" 370.214 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |c:9,t:11|" URXWVWVPMJSAJD-KOORYGTMSA-N 200136 BRD-K48329353-001-01-3 "6,7-dehydro-17-acetoxy-progesterone" 0 81.26 InterBioScreen STOCK1N-54662 370.214 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |c:9,t:11|" URXWVWVPMJSAJD-KOORYGTMSA-N 200136 BRD-K65377893-001-08-2 7-aminocephalosporanic-acid 0 0 Selleck S2530 7-Aminocephalosporanic acid 272.047 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O |t:5| HSHGZXNAXBPPDL-HZGVNTEJSA-N 7058093 BRD-K15457970-001-01-4 BRD-K65377893-001-07-4 7-aminocephalosporanic-acid 0 100 Selleck S2530 7-Aminocephalosporanic acid 272.047 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O |t:5| HSHGZXNAXBPPDL-HZGVNTEJSA-N 7058093 BRD-K84214706-001-06-5 7-chlorokynurenic-acid 0 97.33 Tocris 237 7-Chlorokynurenic acid 223.004 OC(=O)c1cc(=O)c2ccc(Cl)cc2[nH]1 UAWVRVFHMOSAPU-UHFFFAOYSA-N 1884 BRD-K84214706-001-05-7 7-chlorokynurenic-acid 0 99.07 Tocris 237 7-Chlorokynurenic acid 223.004 OC(=O)c1cc(=O)c2ccc(Cl)cc2[nH]1 UAWVRVFHMOSAPU-UHFFFAOYSA-N 1884 BRD-K84214706-001-07-9 7-chlorokynurenic-acid 0 97.86 Tocris 237 7-Chlorokynurenic acid 223.004 OC(=O)c1cc(=O)c2ccc(Cl)cc2[nH]1 UAWVRVFHMOSAPU-UHFFFAOYSA-N 1884 BRD-K01826780-004-09-9 7-hydroxy-DPAT 0 84.83 Tocris 706 "7-(dipropylamino)-5,6,7,8-tetrahydro-2-naphthalenol hydrobromide" 327.12 CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1 |&1:7| BLYMJBIZMIGWFK-HNNXBMFYSA-N 23928184 BRD-K01826780-004-08-9 7-hydroxy-DPAT 0 89.47 Tocris 706 7-Hydroxy-DPAT hydrobromide 327.12 CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1 |&1:7| BLYMJBIZMIGWFK-HNNXBMFYSA-N 23928184 BRD-K01826780-004-07-9 7-hydroxy-DPAT 0 82.69 Tocris 706 7-Hydroxy-DPAT hydrobromide 327.12 CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1 |&1:7| BLYMJBIZMIGWFK-HNNXBMFYSA-N 23928184 BRD-K01825667-050-01-9 7-hydroxy-PIPAT 0 54.71 Tocris 719 7-Hydroxy-PIPAT maleate 487.086 CCCN(C\C=C\I)[C@H]1CCc2ccc(O)cc2C1 |&1:8| RTMIJLQPWFKAFE-GZTQLTBSSA-N 10317104 BRD-K45293975-001-02-0 7-hydroxystaurosporine 0 80.79 EMDBio 539644-500UG UCN-01 482.195 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 PBCZSGKMGDDXIJ-KRUBCLEUSA-N 3078519 BRD-K45293975-001-01-2 7-hydroxystaurosporine 0 53.11 EMDBio 539644 UCN-01 482.195 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 PBCZSGKMGDDXIJ-KRUBCLEUSA-N 3078519 BRD-K07785030-001-01-6 7-keto-DHEA 0 98.83 ChemImpex 24167 "(3beta)-7,17-dioxoandrost-5-en-3-yl acetate" 344.199 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C(=O)C=C2C1 |c:24| VVSMJVQHDZUPIL-XFKPDKBWSA-N 9798229 BRD-K53156626-001-01-3 7-methoxytacrine 0 98.23 Enamine Z2327883841 "7-methoxy-1,2,3,4-tetrahydro-9-acridinylamine" 228.126 COc1ccc2nc3CCCCc3c(N)c2c1 APQPVVOYBLOJDY-UHFFFAOYSA-N 119053 BRD-K41592905-001-01-6 7-methylxanthine 0 100 Sigma MFCD00037979 "7-methyl-3,7-dihydro-1H-purine-2,6-dione" 166.049 Cn1cnc2[nH]c(=O)[nH]c(=O)c12 PFWLFWPASULGAN-UHFFFAOYSA-N 68374 BRD-K04430056-001-18-5 7-nitroindazole 0 93.01 Tocris 602 7-Nitroindazole 163.038 [O-][N+](=O)c1cccc2c[nH]nc12 PQCAUHUKTBHUSA-UHFFFAOYSA-N 1893 BRD-K04430056-236-02-1 7-nitroindazole 0 91.17 Tocris 800 7-NINA 163.038 [O-][N+](=O)c1cccc2c[nH]nc12 PQCAUHUKTBHUSA-UHFFFAOYSA-N 1893 BRD-K04430056-001-17-7 7-nitroindazole 0 96.6 Tocris 602 7-Nitroindazole 163.038 [O-][N+](=O)c1cccc2c[nH]nc12 PQCAUHUKTBHUSA-UHFFFAOYSA-N 1893 BRD-K77756533-001-01-4 "7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one" 0 99.06 Vitas-M STL281810 "7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one" 214.111 O=C1N2CCCCC=C2Nc2ccccc12 |c:7| HBEJFHWHFIAMAI-UHFFFAOYSA-N BRD-A09554849-236-08-9 8-bromo-cAMP 0 96.24 Tocris 1140 "8-Bromo-cAMP, sodium salt" 406.963 "Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O)c(Br)nc12 |a:7,9,16,17,&1:12|" DVKQVRZMKBDMDH-UUOKFMHZSA-N 32014 BRD-A09554849-236-07-6 8-bromo-cAMP 0 89.36 Tocris 1140 "8-Bromo-cAMP, sodium salt" 406.963 "Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O)c(Br)nc12 |a:7,9,16,17,&1:12|" DVKQVRZMKBDMDH-UUOKFMHZSA-N 32014 BRD-A00077618-236-08-9 8-bromo-cGMP 0 90.87 Tocris 1089 "8-Bromo-cGMP, sodium salt" 422.958 "Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O)c2[nH]1 |a:10,12,19,20,&1:15|" YUFCOOWNNHGGOD-UMMCILCDSA-N 135419186 BRD-A00077618-236-07-6 8-bromo-cGMP 0 87.24 Tocris 1089 "8-Bromo-cGMP, sodium salt" 422.958 "Nc1nc(=O)c2nc(Br)n([C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O)c2[nH]1 |a:10,12,19,20,&1:15|" YUFCOOWNNHGGOD-UMMCILCDSA-N 135419186 BRD-K01826732-004-09-9 8-hydroxy-DPAT 0 85.08 Tocris 529 8-Hydroxy-DPAT hydrobromide 247.194 CCCN(CCC)[C@H]1CCc2cccc(O)c2C1 |&1:7| ASXGJMSKWNBENU-AWEZNQCLSA-N 10125797 BRD-K01826732-004-08-9 8-hydroxy-DPAT 0 93.13 Tocris 529 8-Hydroxy-DPAT hydrobromide 327.12 CCCN(CCC)[C@H]1CCc2cccc(O)c2C1 |&1:7| ASXGJMSKWNBENU-AWEZNQCLSA-N 10125797 BRD-A60594020-034-01-1 8-hydroxy-PIPAT 0 97.35 Tocris 797 8-Hydroxy-PIPAT 371.075 CCCN(C\C=C\I)[C@H]1CCc2cccc(O)c2C1 |&1:8| QBXHUZJZYDSLRH-MDDUGHTDSA-N 15288637 BRD-A60594020-034-02-9 8-hydroxy-PIPAT 0 93.54 Tocris 797 8-Hydroxy-PIPAT oxalate 371.075 CCCN(C\C=C\I)[C@H]1CCc2cccc(O)c2C1 |&1:8| QBXHUZJZYDSLRH-MDDUGHTDSA-N 15288637 BRD-A07232941-001-03-5 8-M-PDOT 0 86.71 Tocris 1035 8-M-PDOT 233.142 "CCC(=O)N[C@H]1CCc2cccc(OC)c2C1 |&1:5,r|" RVIGBTUDFAGRTQ-NSHDSACASA-N 92211535 BRD-A07232941-001-02-7 8-M-PDOT 0 97.76 Tocris 1035 8-M-PDOT 233.142 "CCC(=O)N[C@H]1CCc2cccc(OC)c2C1 |&1:5,r|" RVIGBTUDFAGRTQ-NSHDSACASA-N 92211535 BRD-K03044000-001-01-8 80841-78-7 0 0 Sigma 671975 "4-(chloromethyl)-5-methyl-1,3-dioxol-2-one" 147.993 Cc1oc(=O)oc1CCl QCLFSYYUWPUWQR-UHFFFAOYSA-N 9855518 BRD-K00535541-001-04-8 9-aminoacridine 0 89.89 Selleck S4303 9-Aminoacridine 194.084 Nc1c2ccccc2nc2ccccc12 XJGFWWJLMVZSIG-UHFFFAOYSA-N 7019 BRD-K00535541-001-05-5 9-aminoacridine 0 94.54 MicroSource 1500810 AMINACRINE 194.084 Nc1c2ccccc2nc2ccccc12 XJGFWWJLMVZSIG-UHFFFAOYSA-N 7019 BRD-K00535541-001-06-3 9-aminoacridine 0 92.92 Selleck S4303 9-Aminoacridine;9-Aminoacridine;Aminoacrid 194.084 Nc1c2ccccc2nc2ccccc12 XJGFWWJLMVZSIG-UHFFFAOYSA-N 7019 BRD-K09291936-001-13-3 9-aminocamptothecin 0 91.91 Sigma MFCD00909855 "(4S)-10-amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione" 363.122 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O FUXVKZWTXQUGMW-FQEVSTJZSA-N 72402 BRD-K09291936-001-14-9 9-aminocamptothecin 0 Cayman 17232 9-aminocamptothecin 363.122 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O FUXVKZWTXQUGMW-FQEVSTJZSA-N 72402 BRD-K62607075-001-04-9 9-anthracenecarboxylic-acid 0 88.03 Tocris 963 9-AC 222.068 OC(=O)c1c2ccccc2cc2ccccc12 XGWFJBFNAQHLEF-UHFFFAOYSA-N 2201 BRD-K62607075-001-03-6 9-anthracenecarboxylic-acid 0 73.91 Tocris 963 9-AC 222.068 OC(=O)c1c2ccccc2cc2ccccc12 XGWFJBFNAQHLEF-UHFFFAOYSA-N 2201 BRD-K70329400-001-02-5 A-1070722 0 97.36 Tocris 4431 A 1070722 362.099 COc1ccc2c(NC(=O)Nc3cccc(n3)C(F)(F)F)ccnc2c1 VQPBIJGXSXEOCU-UHFFFAOYSA-N 49830684 BRD-K70329400-001-01-7 A-1070722 0 98.53 Stanley A 1070722 362.099 COc1ccc2c(NC(=O)Nc3cccc(n3)C(F)(F)F)ccnc2c1 VQPBIJGXSXEOCU-UHFFFAOYSA-N 49830684 BRD-K59060513-001-02-5 A-1120 0 83.72 Tocris 3793 A 1120 392.135 OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F MEAQCLPMSVEOQF-UHFFFAOYSA-N 25138295 BRD-K59060513-001-01-7 A-1120 0 Sigma A3111 A1120 392.135 OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F "InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)" 25138295 BRD-K38019854-323-01-4 A-317491 0 98.69 MedChemEx HY-15568A A-317491 (sodium salt hydrate) 565.174 OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 VQGBOYBIENNKMI-LJAQVGFWSA-N 9829395 BRD-K38019854-001-01-6 A-317491 0 98.06 MedChemEx HY-15568 A-317491 565.174 OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 VQGBOYBIENNKMI-LJAQVGFWSA-N 9829395 BRD-A40302156-001-01-9 A-33903 0 96.18 Maybridge RJC01921 "N-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide" 293.116 "CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O |&1:4,r,t:5|" MMXSDWJOQSEPSM-MRXNPFEDSA-N 6923850 BRD-K06182768-001-06-4 A-366 0 91.4 MedChemEx HY-12583 A-366 329.21 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| BKCDJTRMYWSXMC-UHFFFAOYSA-N 76285486 BRD-K06182768-001-02-3 A-366 0 72.61 Tocris 5163 A-366 329.21 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| BKCDJTRMYWSXMC-UHFFFAOYSA-N 76285486 BRD-K06182768-001-03-1 A-366 0 54.93 MedChemEx HY-12583 A-366 329.21 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| BKCDJTRMYWSXMC-UHFFFAOYSA-N 76285486 BRD-K06182768-001-01-5 A-366 0 60.31 MedChemEx HY-12583 A-366 329.21 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| BKCDJTRMYWSXMC-UHFFFAOYSA-N 76285486 BRD-K06182768-001-04-9 A-366 0 16.9 Tocris 5163 A 366 329.21 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| BKCDJTRMYWSXMC-UHFFFAOYSA-N 76285486 BRD-K00005339-001-01-9 A-381393 0 95.93 MedChemEx HY-116941 A-381393 320.2 Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1 SAQMCVDGOIRQTC-UHFFFAOYSA-N 11301655 BRD-K62066682-300-02-9 A-412997 0 95.13 Tocris 4552 A 412997 dihydrochloride 309.184 Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 JFCDMGGMCUKHST-UHFFFAOYSA-N 10425450 BRD-K62066682-300-01-0 A-412997 0 95.39 Tocris 4552 A 412997 dihydrochloride 309.184 Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 JFCDMGGMCUKHST-UHFFFAOYSA-N 10425450 BRD-K13223831-003-01-7 A-438079 0 93.4 Tocris 2972 A 438079 hydrochloride 305.024 Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl MMPAULQSJLVKHP-UHFFFAOYSA-N 11673921 BRD-K13223831-003-02-9 A-438079 0 97.34 Tocris 2972 A 438079 hydrochloride 305.024 Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl MMPAULQSJLVKHP-UHFFFAOYSA-N 11673921 BRD-K30233223-001-04-9 A-485 0 98.15 MedChemEx HY-107455 A-485 536.168 CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)c1 VRVJKILQRBSEAG-LFPIHBKWSA-N 118958122 BRD-K79743788-001-01-2 A-582941 0 84.25 Tocris 4341 A 582941 280.169 CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 GTMRUYCIJSNXGB-GASCZTMLSA-N 44190553 BRD-K79743788-001-02-9 A-582941 0 91.53 Tocris 4341 A 582941 280.169 CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 GTMRUYCIJSNXGB-GASCZTMLSA-N 44190553 BRD-K00004225-004-01-9 A-61603 0 100 Tocris 1052 A 61603 hydrobromide 309.115 "CS(=O)(=O)Nc1c(O)ccc2[C@H](CCCc12)C1=NCCN1 |&1:11,r,t:18|" OQFCXJDXHCDLHX-NSHDSACASA-N 10804826 BRD-K78177893-003-03-9 A-674563 0 94.06 MedChemEx HY-13254A A-674563 (hydrochloride) 358.179 Cc1[nH]nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 BPNUQXPIQBZCMR-IBGZPJMESA-N 11314340 BRD-K78177893-001-02-4 A-674563 0 96.74 Selleck S2670 A-674563 358.179 Cc1[nH]nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 BPNUQXPIQBZCMR-IBGZPJMESA-N 11314340 BRD-K03301001-003-03-3 A-7 0 92.11 Tocris 378 A-7 hydrochloride 396.164 NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 JLUUJHIQVIXTGT-UHFFFAOYSA-N 2735313 BRD-K03301001-003-02-5 A-7 0 92.44 Tocris 378 A-7 hydrochloride 396.164 NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 JLUUJHIQVIXTGT-UHFFFAOYSA-N 2735313 BRD-K03301001-003-04-9 A-7 0 95.2 Tocris 378 A-7 hydrochloride 396.164 NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 JLUUJHIQVIXTGT-UHFFFAOYSA-N 2735313 BRD-K41918892-001-06-7 A-769662 0 84.48 Tocris 3336 A 769662 360.057 Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 CTESJDQKVOEUOY-UHFFFAOYSA-N 54708532 BRD-K41918892-001-05-9 A-769662 0 90.56 Selleck S2697 A-769662 360.057 Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 CTESJDQKVOEUOY-UHFFFAOYSA-N 54708532 BRD-K41918892-001-09-9 A-769662 0 96.91 Tocris 3336 A 769662 360.057 Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 CTESJDQKVOEUOY-UHFFFAOYSA-N 54708532 BRD-K87665527-001-01-3 A-784168 0 90.02 Tocris 4319 A 784168 479.074 FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |c:14| SDUAWRFBHRAFBM-UHFFFAOYSA-N 11420211 BRD-K87665527-001-02-9 A-784168 0 95.13 Tocris 4319 A 784168 479.074 FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |c:14| SDUAWRFBHRAFBM-UHFFFAOYSA-N 11420211 BRD-K28570407-001-04-6 A-803467 0 96.66 Tocris 2976 A 803467 357.077 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 VHKBTPQDHDSBSP-UHFFFAOYSA-N 16038374 BRD-K28570407-001-02-0 A-803467 0 97.96 Selleck S2785 A-803467 357.077 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1 VHKBTPQDHDSBSP-UHFFFAOYSA-N 16038374 BRD-K94313941-001-03-9 A-804598 0 98.07 Tocris 4473 A 804598 315.148 C[C@H](N\C(NC#N)=N/c1cccc2ncccc12)c1ccccc1 PQYCRDPLPKGSME-AWEZNQCLSA-N 53325874 BRD-K76894955-001-02-1 A-804598 0 98.54 Tocris 4473 A 804598 315.148 C[C@H](\N=C(\NC#N)Nc1cccc2ncccc12)c1ccccc1 PQYCRDPLPKGSME-AWEZNQCLSA-N 53325874 BRD-K94313941-001-01-9 BRD-K60427831-001-01-0 A-839977 0 92.75 Tocris 4232 A 839977 412.061 Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 GMVNBKZQJFRFAR-UHFFFAOYSA-N 53325875 BRD-K60427831-001-02-9 A-839977 0 98.12 Tocris 4232 A 839977 412.061 Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 GMVNBKZQJFRFAR-UHFFFAOYSA-N 53325875 BRD-K33059059-001-02-9 A-867744 0 94.57 Tocris 4571 A 867744 402.08 CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O ABACVOXFUHDKNZ-UHFFFAOYSA-N 23642319 BRD-K33059059-001-01-0 A-867744 0 96.03 Tocris 4571 A 867744 402.08 CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O ABACVOXFUHDKNZ-UHFFFAOYSA-N 23642319 BRD-K20239555-001-01-2 A-887826 0 91.61 Tocris 4249 A 887826 480.193 CCCCOc1ccc(cc1Cl)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1 JPJGFWKHSMUKFO-UHFFFAOYSA-N 46919335 BRD-K20239555-001-02-9 A-887826 0 97.78 Tocris 4249 A 887826 480.193 CCCCOc1ccc(cc1Cl)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1 JPJGFWKHSMUKFO-UHFFFAOYSA-N 46919335 BRD-K81614372-001-02-1 A-922500 0 96.89 Tocris 3587 A 922500 428.174 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 BOZRFEQDOFSZBV-DHIUTWEWSA-N 24768261 BRD-K81614372-001-04-9 A-922500 0 95.18 Tocris 3587 A 922500 428.174 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 BOZRFEQDOFSZBV-DHIUTWEWSA-N 24768261 BRD-K81614372-001-03-9 A-922500 0 95.56 Selleck S2674 A922500 428.174 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 BOZRFEQDOFSZBV-DHIUTWEWSA-N 24768261 BRD-K99308908-001-02-9 A-939572 0 97.11 Tocris 4845 A 939572 387.135 CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 DPYTYQFYDLYWHZ-UHFFFAOYSA-N 24905400 BRD-K99308908-001-01-5 A-939572 0 94.18 Tocris 4845 A 939572 387.135 CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 DPYTYQFYDLYWHZ-UHFFFAOYSA-N 24905400 BRD-K70744942-001-02-9 A-967079 0 87.42 Tocris 4716 A 967079 207.106 CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 HKROEBDHHKMNBZ-CHBKHGQFSA-N 42641861 BRD-K70744942-001-01-2 A-967079 0 97.41 Tocris 4716 A 967079 207.106 CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 HKROEBDHHKMNBZ-CHBKHGQFSA-N 42641861 BRD-K68982262-001-01-4 A-987306 0 86.49 Tocris 3640 A 987306 327.206 Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1 |t:14| DJKJVWJQAVGLHJ-YPMHNXCESA-N 25109291 BRD-K68982262-001-02-9 A-987306 0 92.15 Tocris 3640 A 987306 327.206 Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1 |t:14| DJKJVWJQAVGLHJ-YPMHNXCESA-N 25109291 BRD-K57865272-001-02-0 A0001 0 0 Sigma MFCD00135657 "2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylbenzo-1,4-quinone" 446.376 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |c:21,t:27|" LTVDFSLWFKLJDQ-IEOSBIPESA-N 2734086 BRD-K57865272-001-01-2 A0001 0 40.81 Enzo FR115 Tocopherylquinone 446.376 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |c:21,t:27|" LTVDFSLWFKLJDQ-IEOSBIPESA-N 2734086 BRD-A30000356-001-02-9 A12B4C3 0 90.41 Tocris 5097 A12B4C3 534.284 "CCCCCCCCCC[C@@H](O)[C@H]1C=C[C@H]2[C@@H](N1Nc1ccc(cc1)[N+]([O-])=O)C(=O)N(C2=O)c1ccccc1 |&1:10,&2:12,r,c:13|" KVHGJAKTBPFFNV-KUXCXQDQSA-N BRD-A30000356-001-01-9 A12B4C3 0 89.26 Tocris 5097 A12B4C3 534.284 "CCCCCCCCCC[C@@H](O)[C@H]1C=C[C@H]2[C@@H](N1Nc1ccc(cc1)[N+]([O-])=O)C(=O)N(C2=O)c1ccccc1 |&1:10,&2:12,r,c:13|" KVHGJAKTBPFFNV-KUXCXQDQSA-N BRD-K77627880-001-05-7 A205804 0 96.5 Tocris 2524 A 205804 300.039 Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1 QQGWEXFLMJGCAL-UHFFFAOYSA-N 9839311 BRD-K77627880-001-04-0 A205804 0 98.68 Tocris 2524 A 205804 300.039 Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1 QQGWEXFLMJGCAL-UHFFFAOYSA-N 9839311 BRD-K77627880-001-06-9 A205804 0 96.96 Tocris 2524 A 205804 300.039 Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1 QQGWEXFLMJGCAL-UHFFFAOYSA-N 9839311 BRD-K77627880-001-03-2 A205804 0 97.7 Selleck S2885 A-205804 300.039 Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1 QQGWEXFLMJGCAL-UHFFFAOYSA-N 9839311 BRD-A83650191-004-03-6 A61603 0 96.39 Tocris 1052 "N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide hydrobromide" 309.115 "CS(=O)(=O)Nc1c(O)ccc2[C@@H](CCCc12)C1=NCCN1 |r,t:18|" OQFCXJDXHCDLHX-LLVKDONJSA-N 6604803 BRD-A83650191-004-02-8 A61603 0 80.43 Tocris 1052 A 61603 hydrobromide 309.115 "CS(=O)(=O)Nc1c(O)ccc2[C@@H](CCCc12)C1=NCCN1 |r,t:18|" OQFCXJDXHCDLHX-LLVKDONJSA-N 6604803 BRD-K49055432-001-04-2 A66 0 90 Selleck S2636 A66 393.129 Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C HBPXWEPKNBHKAX-NSHDSACASA-N 42636535 BRD-K49055432-001-07-5 A66 0 94.01 Tocris 5595 A66 393.129 Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C HBPXWEPKNBHKAX-NSHDSACASA-N 42636535 BRD-A78952587-001-02-3 A740003 0 94.76 Tocris 3701 A 740003 474.238 "COc1ccc(CC(=O)N[C@@H](N\C(Nc2cccc3ncccc23)=N\C#N)C(C)(C)C)cc1OC |&1:10,r|" PUHSRMSFDASMAE-DEOSSOPVSA-N 98050091 BRD-A78952587-001-01-5 A740003 0 97.5 Tocris 3701 A 740003 474.238 "COc1ccc(CC(=O)N[C@@H](N\C(Nc2cccc3ncccc23)=N\C#N)C(C)(C)C)cc1OC |&1:10,r|" PUHSRMSFDASMAE-DEOSSOPVSA-N 98050091 BRD-A78952587-001-03-9 A740003 0 92.24 Tocris 3701 A 740003 474.238 "COc1ccc(CC(=O)N[C@@H](N\C(Nc2cccc3ncccc23)=N\C#N)C(C)(C)C)cc1OC |&1:10,r|" PUHSRMSFDASMAE-DEOSSOPVSA-N 98050091 BRD-K72226571-003-02-9 A77636 0 86.81 Tocris 1701 A 77636 hydrochloride 329.199 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)[C@@]12CC3CC(CC(C3)C1)C2 QLJOSZATCBCBDR-KLONBWLYSA-N BRD-K72226571-003-01-2 A77636 0 39.87 Tocris 1701 A 77636 hydrochloride 329.199 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)[C@@]12CC3CC(CC(C3)C1)C2 QLJOSZATCBCBDR-KLONBWLYSA-N BRD-K28861668-001-01-9 A922500 0 92.69 Selleck S2674 A922500 428.174 OC(=O)[C@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 BOZRFEQDOFSZBV-PKTZIBPZSA-N 24768273 BRD-K13944729-001-01-7 AA-29504 0 19.95 Tocris 3972 AA 29504 327.195 CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N SCOOTUMXCXKEAD-UHFFFAOYSA-N 23188887 BRD-K13944729-001-02-9 AA-29504 0 75.45 Tocris 3972 AA 29504 327.195 CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N SCOOTUMXCXKEAD-UHFFFAOYSA-N 23188887 BRD-K00003450-001-01-9 AAI101 0 40.4 MedChemEx HY-103095 AAI101 315.076 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(Cn1cc[n+](C)n1)S2(=O)=O HFZITXBUTWITPT-YWVKMMECSA-O 23653541 BRD-K00003109-001-01-9 AB-423 0 97.73 MedChemEx HY-112142 AB-423 386.091 CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1 BBLXLHYPDOMJMO-SNVBAGLBSA-N 90259477 BRD-K17443395-065-03-0 abacavir 0 95.95 Tocris 4148 Abacavir hemisulfate 286.154 Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |c:18| MCGSCOLBFJQGHM-SCZZXKLOSA-N 441300 BRD-M55852627-065-01-7 BRD-K17443395-065-02-2 abacavir 0 98.81 MicroSource 1502410 ABACAVIR SULFATE 286.154 Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |c:18| MCGSCOLBFJQGHM-SCZZXKLOSA-N 441300 BRD-A95032015-065-01-2 BRD-K17443395-065-01-4 abacavir 0 96.52 Selleck S3165 Abacavir sulfate 286.154 Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |c:18| MCGSCOLBFJQGHM-SCZZXKLOSA-N 441300 BRD-M42309903-065-03-5 BRD-K77432251-001-01-2 abafungin 0 92.48 ChemImpex 28441 "4-[2-(2,4-dimethylphenoxy)phenyl]-N-tetrahydro-2(1H)-pyrimidinylidene-1,3-thiazol-2-amine" 378.151 Cc1ccc(Oc2ccccc2-c2csc(NC3=NCCCN3)n2)c(C)c1 |t:18| TYBHXIFFPVFXQW-UHFFFAOYSA-N 159326 BRD-K00004970-001-01-9 abamectin 0 0 MedChemEx HY-15311 Avermectin B1 858.477 "[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@@]5(O[C@H](C(C)C)[C@@H](C)C=C5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:4,54,t:6,37,64|" ZFUKERYTFURFGA-PVVXTEPVSA-N 6858005 BRD-K65498798-001-01-7 abametapir 0 92.8 Sigma MFCD01740554 "5,5'-dimethyl-2,2'-bipyridine" 184.1 Cc1ccc(nc1)-c1ccc(C)cn1 PTRATZCAGVBFIQ-UHFFFAOYSA-N 15664 BRD-K00003158-001-01-9 abarelix 0 80.78 MedChemEx HY-13534 Abarelix 1414.684 CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O AIWRTTMUVOZGPW-HSPKUQOVSA-N 16131215 BRD-K00003108-001-01-9 ABBV-744 0 93.59 MedChemEx HY-112090 ABBV-744 491.222 CCNC(=O)c1cc2c(cn(C)c(O)c2n1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O LQPFCYWRBQRRGE-UHFFFAOYSA-N BRD-K01825984-001-01-9 ABC-294640 0 99.82 Selleck S7174 380.166 "Clc1ccc(cc1)[C@]12C[C@H]3C[C@H](C[C@](C3)(C1)C(=O)NCc1ccncc1)C2 |&1:7,9,11,13|" CAOTVXGYTWCKQE-BRNYJPRKSA-N BRD-K33622447-066-01-9 abemaciclib 0 94.43 Selleck S7158 LY2835219 506.272 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 UZWDCWONPYILKI-UHFFFAOYSA-N 46220502 BRD-K33622447-001-03-9 abemaciclib 0 91.47 MedChemEx HY-16297A Abemaciclib 506.272 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 UZWDCWONPYILKI-UHFFFAOYSA-N 46220502 BRD-K50071428-001-04-9 abiraterone 0 91.44 MedChemEx HY-70013 Abiraterone 349.241 "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|" GZOSMCIZMLWJML-VJLLXTKPSA-N 132971 BRD-K50071428-001-03-3 abiraterone 0 92.23 Selleck S1123 Abiraterone (CB-7598) 349.241 "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|" GZOSMCIZMLWJML-VJLLXTKPSA-N 132971 BRD-K00111504-001-01-9 BRD-K24048528-001-03-9 abiraterone-acetate 0 88.37 MedChemEx HY-75054 Abiraterone (acetate) 391.251 "CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 |c:16,29|" UVIQSJCZCSLXRZ-UBUQANBQSA-N 9821849 BRD-K24048528-001-01-7 abiraterone-acetate 0 98.65 Selleck S2246 Abiraterone Acetate 391.251 "CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 |c:16,29|" UVIQSJCZCSLXRZ-UBUQANBQSA-N 9821849 BRD-K24048528-001-02-5 abiraterone-acetate 0 89.93 Selleck S2246 Abiraterone Acetate 391.251 "CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 |c:16,29|" UVIQSJCZCSLXRZ-UBUQANBQSA-N 9821849 BRD-K16133773-001-01-9 BRD-K00004730-001-01-9 ABT-072 0 90.96 MedChemEx HY-101634 ABT-072 469.167 COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O XMZSTQYSBYEENY-RMKNXTFCSA-N 57775240 BRD-A29844814-300-01-5 ABT-202 0 88.87 Enamine EN300-69225 163.111 N[C@H]1CCN(C1)c1cccnc1 |&1:1| LVGMMVAWLISWJD-QMMMGPOBSA-N 39220800 BRD-K22749967-046-02-3 ABT-239 0 99.38 Axon 1510 330.173 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N KFHYZKCRXNRKRC-MRXNPFEDSA-N 9818903 BRD-K97233161-003-01-5 ABT-491 0 93.81 EMDBio 511071-2MG "PAF Receptor Antagonist, ABT-491" 479.176 CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C GDLNHSUSOZEAOR-UHFFFAOYSA-N 154087 BRD-K97233161-003-02-3 ABT-491 0 92.38 SantaCruz sc-214459 ABT-491 hydrochloride 479.176 CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C GDLNHSUSOZEAOR-UHFFFAOYSA-N 154087 BRD-K11792081-001-01-4 ABT-639 0 96.74 MedChemEx HY-19721 ABT-639 455.088 Fc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@@H]3C2)c(Cl)cc1F AGPIHNZOZNKRGT-CYBMUJFWSA-N 46851313 BRD-K36021395-300-03-2 ABT-702 0 87.52 Tocris 2372 "5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine dihydrochloride" 462.08 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 RQCXKDWOCUJWQZ-UHFFFAOYSA-N 1973 BRD-K36021395-300-02-4 ABT-702 0 84 Tocris 2372 ABT 702 dihydrochloride 462.08 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 RQCXKDWOCUJWQZ-UHFFFAOYSA-N 1973 BRD-K37714784-305-02-1 ABT-724 0 97.43 Tocris 2214 ABT 724 trihydrochloride 293.164 C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1 FRPJGTNLZNXQEX-UHFFFAOYSA-N 5025739 BRD-K37714784-305-08-9 ABT-724 0 95.37 Tocris 2214 ABT 724 trihydrochloride 293.164 C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1 FRPJGTNLZNXQEX-UHFFFAOYSA-N 5025739 BRD-K56301217-001-10-8 ABT-737 0 86.42 Selleck S1002 ABT-737 812.258 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 HPLNQCPCUACXLM-PGUFJCEWSA-N 11228183 BRD-K56301217-001-07-4 ABT-737 0 95.24 Selleck S1002 ABT-737 812.258 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 HPLNQCPCUACXLM-PGUFJCEWSA-N 11228183 BRD-K56301217-001-01-7 ABT-737 0 100 Toronto A112550 A112550.cdx 812.258 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 HPLNQCPCUACXLM-PGUFJCEWSA-N 11228183 BRD-K56301217-001-12-4 ABT-737 0 MedChemEx HY-50907 ABT-737 812.258 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 "InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1" 11228183 BRD-K91623615-001-06-8 ABT-751 0 91.6 Tocris 4138 ABT 751 371.094 COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 URCVCIZFVQDVPM-UHFFFAOYSA-N 3035714 BRD-K91623615-001-05-0 ABT-751 0 96.81 Selleck S1165 ABT-751 371.094 COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 URCVCIZFVQDVPM-UHFFFAOYSA-N 3035714 BRD-K91623615-001-09-9 ABT-751 0 94.45 Tocris 4138 ABT 751 371.094 COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 URCVCIZFVQDVPM-UHFFFAOYSA-N 3035714 BRD-K91623615-001-04-3 ABT-751 0 74.29 Selleck S1165 ABT-751 (E7010) 371.094 COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 URCVCIZFVQDVPM-UHFFFAOYSA-N 3035714 BRD-K00004603-001-01-9 ABX-1431 0 92.26 MedChemEx HY-117632 ABX-1431 507.157 FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F SQZJGTOZFRNWCX-UHFFFAOYSA-N 71657619 BRD-K00003394-001-01-9 ABX464 0 98.68 MedChemEx HY-100870 ABX464 338.043 FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1 OZOGDCZJYVSUBR-UHFFFAOYSA-N 49846599 BRD-K53788420-001-02-9 AC-186 0 91.88 Tocris 5053 AC 186 306.123 Oc1ccc(cc1)C1(CCC(F)(F)CC1)c1ccccc1F HSMUKSLNDJOZQG-UHFFFAOYSA-N 71245042 BRD-K53788420-001-01-1 AC-186 0 94.66 Tocris 5053 AC 186 306.123 Oc1ccc(cc1)C1(CCC(F)(F)CC1)c1ccccc1F HSMUKSLNDJOZQG-UHFFFAOYSA-N 71245042 BRD-K31144453-001-02-2 AC-261066 0 92.33 Tocris 4046 AC 261066 353.11 CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1 HSAOETBFVAWNRP-UHFFFAOYSA-N 11530459 BRD-K31144453-001-03-9 AC-261066 0 92.09 Tocris 4046 AC 261066 353.11 CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1 HSAOETBFVAWNRP-UHFFFAOYSA-N 11530459 BRD-K81548480-001-02-0 AC-264613 0 69.89 Tocris 3370 AC 264613 399.058 C\C(=N/NC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 RQKXQCSEZPQBNZ-QSBCOWLBSA-N 25108278 BRD-K81548480-001-01-2 AC-264613 0 95.07 Tocris 3370 AC 264613 399.058 C\C(=N/NC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 RQKXQCSEZPQBNZ-QSBCOWLBSA-N 25108278 BRD-K81548480-001-03-9 AC-264613 0 89.57 Tocris 3370 AC 264613 399.058 C\C(=N/NC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 RQKXQCSEZPQBNZ-QSBCOWLBSA-N 25108278 BRD-A27911617-001-01-7 AC-55541 0 97.05 MedChemEx HY-14350 AC-55541 517.075 "C\C(=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1 |&1:6,r|" UCUHFWIFSHROPY-SQEMJAKJSA-N 129362181 BRD-K93176058-001-04-4 AC-55649 0 97.99 Tocris 2436 AC 55649 310.193 CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O HXBKPYIEQLLNBK-UHFFFAOYSA-N 1714884 BRD-K93176058-001-03-6 AC-55649 0 98.46 Tocris 2436 AC 55649 310.193 CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O HXBKPYIEQLLNBK-UHFFFAOYSA-N 1714884 BRD-K93176058-001-05-9 AC-55649 0 94.4 Tocris 2436 AC 55649 310.193 CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O HXBKPYIEQLLNBK-UHFFFAOYSA-N 1714884 BRD-K15819326-001-02-9 AC-710 0 95.31 Tocris 5013 AC 710 562.327 CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 JVCWPUFNLFSKFS-UHFFFAOYSA-N 54760053 BRD-K15819326-001-01-6 AC-710 0 98.87 Tocris 5013 AC 710 562.327 CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 JVCWPUFNLFSKFS-UHFFFAOYSA-N 54760053 BRD-A49544621-003-03-6 AC-7954-(+/-) 0 93.04 Tocris 2484 (+/-)-AC 7954 hydrochloride 329.118 CN(C)CC[C@]1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1 |&1:5| HIVBATDUVFEJFZ-IBGZPJMESA-N 10937426 BRD-A49544621-003-02-8 AC-7954-(+/-) 0 95.87 Tocris 2484 (?)-AC 7954 hydrochloride 329.118 CN(C)CC[C@]1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1 |&1:5| HIVBATDUVFEJFZ-IBGZPJMESA-N 10937426 BRD-A49544621-003-04-9 AC-7954-(+/-) 0 94.73 Tocris 2484 (+/-)-AC 7954 hydrochloride 329.118 CN(C)CC[C@]1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1 |&1:5| HIVBATDUVFEJFZ-IBGZPJMESA-N 10937426 BRD-K10226125-245-01-5 AC1NDSS5 0 75.43 Sigma MFCD00157250 [2-(ethoxycarbonyl)phenyl](octadecyl)propylsulfonium tetrafluoroborate 477.377 CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC VZXULFIUJKSVJY-UHFFFAOYSA-N 4581100 BRD-K00004583-001-01-9 AC260584 0 93.47 MedChemEx HY-100336 AC260584 348.221 CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1 BWAKMLKESHKOHK-UHFFFAOYSA-N 9928284 BRD-K53448858-001-08-8 acadesine 0 50.7 Tocris 2840 AICAR 258.096 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N RTRQQBHATOEIAF-UUOKFMHZSA-N 17513 BRD-K53448858-001-09-6 acadesine 0 39.3 Selleck S1802 Acadesine 258.096 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N RTRQQBHATOEIAF-UUOKFMHZSA-N 17513 BRD-K04797704-001-01-9 BRD-K53448858-001-07-0 acadesine 0 100 Selleck S1802 AICAR (Acadesine) 258.096 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N RTRQQBHATOEIAF-UUOKFMHZSA-N 17513 BRD-K64034691-001-01-9 acalabrutinib 0 88.47 MedChemEx HY-17600 Acalabrutinib 465.191 CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 WDENQIQQYWYTPO-IBGZPJMESA-N 71226662 BRD-K92517771-001-01-2 acalisib 0 98.55 MedChemEx HY-12644 Acalisib 401.14 C[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 DOCINCLJNAXZQF-LBPRGKRZSA-N 11618268 BRD-K26262077-238-01-5 acamprosate 1 0 MicroSource 1505711 ACAMPROSATE CALCIUM 181.041 CC(=O)NCCCS(O)(=O)=O AFCGFAGUEYAMAO-UHFFFAOYSA-N 71158 BRD-M41783010-238-03-5 BRD-K26262077-001-01-7 acamprosate 1 89.21 Sigma MFCD00867423 3-(acetylamino)-1-propanesulfonic acid 181.041 CC(=O)NCCCS(O)(=O)=O AFCGFAGUEYAMAO-UHFFFAOYSA-N 71158 BRD-K26262077-238-03-9 acamprosate 1 100 Tocris 3618 Acamprosate calcium 181.041 CC(=O)NCCCS(O)(=O)=O AFCGFAGUEYAMAO-UHFFFAOYSA-N 71158 BRD-K44276885-001-06-6 acarbose 0 100 Tocris 2673 Acarbose 645.248 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| XUFXOAAUWZOOIT-SXARVLRPSA-N 444254 BRD-K44276885-001-08-2 acarbose 0 100 MicroSource 1505172 ACARBOSE 645.248 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| XUFXOAAUWZOOIT-SXARVLRPSA-N 444254 BRD-A16444946-001-09-7 BRD-K44276885-001-05-8 acarbose 0 97.08 Tocris 2673 Acarbose 645.248 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| XUFXOAAUWZOOIT-SXARVLRPSA-N 444254 BRD-K44276885-001-07-4 acarbose 0 100 Selleck S1271 Acarbose 645.248 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| XUFXOAAUWZOOIT-SXARVLRPSA-N 444254 BRD-K01621533-001-01-1 BRD-K68633617-003-02-9 ACDPP 0 95.36 Tocris 2254 ACDPP hydrochloride 292.084 CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1cccnc1 RNGRUHWJJPTYNR-UHFFFAOYSA-N 16759169 BRD-K68633617-003-03-9 ACDPP 0 94.64 Tocris 2254 ACDPP hydrochloride 292.084 CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1cccnc1 RNGRUHWJJPTYNR-UHFFFAOYSA-N 16759169 BRD-K00003255-001-01-9 acebilustat 0 97.48 MedChemEx HY-17625 Acebilustat 481.2 [H][C@]12CN(Cc3ccc(cc3)C(O)=O)[C@]([H])(CN1Cc1ccc(Oc3ccc(cc3)-c3ncco3)cc1)C2 GERJIEKMNDGSCS-DQEYMECFSA-N 68488178 BRD-A29260609-003-26-0 acebutolol 0 98.29 MicroSource 1500665 ACEBUTOLOL HYDROCHLORIDE 336.205 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O GOEMGAFJFRBGGG-UHFFFAOYSA-N 657184 BRD-A29260609-003-25-2 acebutolol 0 96.66 Selleck S4010 Acebutolol HCl 336.205 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O GOEMGAFJFRBGGG-UHFFFAOYSA-N 657184 BRD-K07753030-003-17-6 acecainide 0 98.55 MicroSource 2300154 ACECAINIDE HYDROCHLORIDE 277.179 CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 KEECCEWTUVWFCV-UHFFFAOYSA-N 4342 BRD-K01825000-001-02-9 aceclidine 0 92.9 MicroSource 1501124 ACECLIDINE 169.11 "CC(=O)O[C@H]1CN2CCC1CC2 |&1:4,r|" WRJPSSPFHGNBMG-VIFPVBQESA-N 1273944 BRD-K68538666-001-14-9 aceclofenac 0 97.43 MedChemEx HY-B0634 Aceclofenac 353.022 OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl MNIPYSSQXLZQLJ-UHFFFAOYSA-N 71771 BRD-K68538666-001-12-3 aceclofenac 0 98.5 MicroSource 1502375 ACECLOFENAC 353.022 OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl MNIPYSSQXLZQLJ-UHFFFAOYSA-N 71771 BRD-K97417064-001-02-4 acedapsone 0 77.47 MicroSource 1505376 ACEDAPSONE 332.083 CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 AMTPYFGPPVFBBI-UHFFFAOYSA-N 6477 BRD-K97417064-001-05-9 acedapsone 0 98.36 Sigma MFCD00057689 N-(4-(4-ACETYLAMINO-BENZENESULFONYL)-PHENYL)-ACETAMIDE 332.083 CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 AMTPYFGPPVFBBI-UHFFFAOYSA-N 6477 BRD-K47195926-001-06-6 acedoben 0 95.14 MicroSource 1502412 ACEDOBEN 179.058 CC(=O)Nc1ccc(cc1)C(O)=O QCXJEYYXVJIFCE-UHFFFAOYSA-N 19266 BRD-K47195926-001-07-9 acedoben 0 95.89 Sigma MFCD00002534 4-Acetamidobenzoic acid 179.058 CC(=O)Nc1ccc(cc1)C(O)=O QCXJEYYXVJIFCE-UHFFFAOYSA-N 19266 BRD-K44004064-001-08-9 acefylline 0 94.73 MedChemEx HY-B1505 Acefylline 238.07 Cn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O HCYFGRCYSCXKNQ-UHFFFAOYSA-N 69550 BRD-K44004064-001-07-3 acefylline 0 97.34 Prestwick Prestw-1507 Acefylline 238.07 Cn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O HCYFGRCYSCXKNQ-UHFFFAOYSA-N 69550 BRD-K13619941-001-02-9 aceglutamide 0 88.1 MedChemEx HY-B1065 Aceglutamide 188.08 CC(=O)N[C@@H](CCC(N)=O)C(O)=O KSMRODHGGIIXDV-YFKPBYRVSA-N 182230 BRD-K13619941-213-01-8 aceglutamide 0 100 MicroSource 1502368 ACEGLUTAMIDE 188.08 CC(=O)N[C@@H](CCC(N)=O)C(O)=O KSMRODHGGIIXDV-YFKPBYRVSA-N 182230 BRD-K00003531-001-01-9 acelarin 0 97.41 MedChemEx HY-100885 Acelarin 580.153 "C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 |a:1,7,9,21,&1:3|" NHTKGYOMICWFQZ-LHFSRKHSSA-N 134694283 BRD-K67563174-001-19-9 acemetacin 0 95.85 MedChemEx HY-B0482 Acemetacin 415.082 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 FSQKKOOTNAMONP-UHFFFAOYSA-N 1981 BRD-K67563174-001-17-6 acemetacin 0 98.86 MicroSource 1500666 ACEMETACIN 415.082 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 FSQKKOOTNAMONP-UHFFFAOYSA-N 1981 BRD-K67563174-001-16-8 acemetacin 0 97.25 Selleck S2602 Acemetacin 415.082 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 FSQKKOOTNAMONP-UHFFFAOYSA-N 1981 BRD-K36262466-001-06-3 aceneuramic-acid 0 100 OxChem AX8013467 309.106 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O SQVRNKJHWKZAKO-PFQGKNLYSA-N 445063 BRD-A65051990-001-12-9 acenocoumarol 0 99.56 MicroSource 1502411 ACENOCOUMAROL 353.09 "CC(=O)C[C@@H](c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O |&1:4,r|" VABCILAOYCMVPS-HNNXBMFYSA-N 54683745 BRD-A65051990-001-20-9 acenocoumarol 0 97.39 MedChemEx HY-B1014 Acenocoumarol 353.09 "CC(=O)C[C@@H](c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O |&1:4,r|" VABCILAOYCMVPS-HNNXBMFYSA-N 54683745 BRD-K37814297-050-09-6 acepromazine 0 90.02 MicroSource 1505498 ACEPROMAZINE MALEATE 326.145 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O NOSIYYJFMPDDSA-UHFFFAOYSA-N 6077 BRD-K37814297-050-10-9 acepromazine 0 87.77 MedChemEx HY-B1506A Acepromazine maleate 326.145 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O NOSIYYJFMPDDSA-UHFFFAOYSA-N 6077 BRD-K50850824-237-03-0 acesulfame-potassium 0 16.3 MicroSource 1506104 ACESULFAME POTASSIUM 162.994 CC1=CC(=O)NS(=O)(=O)O1 |t:1| YGCFIWIQZPHFLU-UHFFFAOYSA-N 36573 BRD-K50850824-237-02-2 acesulfame-potassium 0 39.42 Selleck S2884 Acesulfame Potassium 162.994 CC1=CC(=O)NS(=O)(=O)O1 |t:1| YGCFIWIQZPHFLU-UHFFFAOYSA-N 36573 BRD-K50850824-237-04-8 acesulfame-potassium 0 88.18 Selleck S2884 Acesulfame Potassium 162.994 CC1=CC(=O)NS(=O)(=O)O1 |t:1| YGCFIWIQZPHFLU-UHFFFAOYSA-N 36573 BRD-K11094367-001-11-9 acetanilide 0 87.56 MedChemEx HY-D0196 Acetanilide 135.068 CC(=O)Nc1ccccc1 FZERHIULMFGESH-UHFFFAOYSA-N 904 BRD-K11094367-001-10-1 acetanilide 0 96.78 MicroSource 1501173 ACETANILIDE 135.068 CC(=O)Nc1ccccc1 FZERHIULMFGESH-UHFFFAOYSA-N 904 BRD-K11094367-001-09-3 acetanilide 0 92.97 Selleck S2538 Acetanilide 135.068 CC(=O)Nc1ccccc1 FZERHIULMFGESH-UHFFFAOYSA-N 904 BRD-K99048103-001-19-2 acetarsol 0 100 MicroSource 1500616 ACETARSOL 274.977 CC(=O)Nc1cc(ccc1O)[As](O)(O)=O ODFJOVXVLFUVNQ-UHFFFAOYSA-N 1985 BRD-K99048103-001-18-4 acetarsol 0 100 Selleck S4386 Acetarsone 274.977 CC(=O)Nc1cc(ccc1O)[As](O)(O)=O ODFJOVXVLFUVNQ-UHFFFAOYSA-N 1985 BRD-K99048103-001-20-0 acetarsol 0 0 Selleck S4386 Acetarsone 274.977 CC(=O)Nc1cc(ccc1O)[As](O)(O)=O ODFJOVXVLFUVNQ-UHFFFAOYSA-N 1985 BRD-K43457670-001-27-8 acetazolamide 0 97.61 MicroSource 1500102 ACETAZOLAMIDE 221.988 CC(=O)Nc1nnc(s1)S(N)(=O)=O BZKPWHYZMXOIDC-UHFFFAOYSA-N 1986 BRD-K52960356-001-13-0 acetohexamide 0 0.44 MicroSource 1505425 ACETOHEXAMIDE 324.114 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 VGZSUPCWNCWDAN-UHFFFAOYSA-N 1989 BRD-K52960356-001-15-5 acetohexamide 0 92.87 MedChemEx HY-B0881 Acetohexamide 324.114 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 VGZSUPCWNCWDAN-UHFFFAOYSA-N 1989 BRD-K21615095-001-08-4 acetohydroxamic-acid 1 0 MicroSource 1500103 ACETOHYDROXAMIC ACID 75.032 CC(=O)NO RRUDCFGSUDOHDG-UHFFFAOYSA-N 1990 BRD-K42938903-332-01-1 acetophenazine 0 85.87 MicroSource 1503860 ACETOPHENAZINE MALEATE 411.198 CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1 WNTYBHLDCKXEOT-UHFFFAOYSA-N 17676 BRD-K92986184-050-01-7 BRD-K42938903-332-02-9 acetophenazine 0 91.12 MedChemEx HY-B1262 Acetophenazine (dimaleate) 411.198 CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1 WNTYBHLDCKXEOT-UHFFFAOYSA-N 17676 BRD-K46416130-001-06-9 acetriazoic-acid 0 0 MicroSource 1504142 ACETRIAZOIC ACID 556.748 CC(=O)Nc1c(I)cc(I)c(C(O)=O)c1I GNOGSFBXBWBTIG-UHFFFAOYSA-N 6806 BRD-K46416130-001-07-7 acetriazoic-acid 0 96.57 MedChemEx HY-B1406 Acetrizoic acid 556.748 CC(=O)Nc1c(I)cc(I)c(C(O)=O)c1I GNOGSFBXBWBTIG-UHFFFAOYSA-N 6806 BRD-A44696962-001-01-4 acetyl-11-keto-beta-boswellic-acid 0 0 AnalytiCon NP-008611 512.35 "C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |a:1,4,8,15,19,24,29,34,35,&1:14,&2:26,c:10|" HMMGKOVEOFBCAU-OQJDUFEHSA-N BRD-K79437791-001-05-7 acetyl-farnesyl-cysteine 0 81.86 Enzo G200 Acetyl-farnesyl-cysteine 367.218 CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC[C@H](NC(C)=O)C(O)=O XTURYZYJYQRJDO-BNAHBJSTSA-N 6438381 BRD-K79437791-001-06-5 acetyl-farnesyl-cysteine 0 77.06 Cayman 63270 "(2R)-2-(acetylamino)-3-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]sulfanyl}propanoic acid" 367.218 CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC[C@H](NC(C)=O)C(O)=O XTURYZYJYQRJDO-BNAHBJSTSA-N 6438381 BRD-K27406233-001-08-9 acetyl-l-leucine 0 85.36 MedChemEx HY-59291 N-Acetyl-L-leucine 173.105 CC(C)C[C@H](NC(C)=O)C(O)=O WXNXCEHXYPACJF-ZETCQYMHSA-N 70912 BRD-K27406233-001-07-7 acetyl-l-leucine 0 100 MicroSource 1502001 ACETYL-L-LEUCINE 173.105 CC(C)C[C@H](NC(C)=O)C(O)=O WXNXCEHXYPACJF-ZETCQYMHSA-N 70912 BRD-K82381502-003-25-9 acetylcholine 0 54.3 MedChemEx HY-B0282 Acetylcholine (chloride) 146.118 CC(=O)OCC[N+](C)(C)C OIPILFWXSMYKGL-UHFFFAOYSA-N 187 BRD-K82381502-003-24-9 acetylcholine 0 0 MicroSource 1500104 ACETYLCHOLINE CHLORIDE 146.118 CC(=O)OCC[N+](C)(C)C OIPILFWXSMYKGL-UHFFFAOYSA-N 187 BRD-K82381502-003-23-1 acetylcholine 0 100 Selleck S1805 Acetylcholine Chloride 146.118 CC(=O)OCC[N+](C)(C)C OIPILFWXSMYKGL-UHFFFAOYSA-N 187 BRD-K59058747-001-20-9 acetylcysteine 0 88.97 MicroSource 1500105 ACETYLCYSTEINE 163.03 CC(=O)N[C@@H](CS)C(O)=O PWKSKIMOESPYIA-BYPYZUCNSA-N 12035 BRD-K67174965-001-02-7 BRD-K59058747-001-19-1 acetylcysteine 1 0 Selleck S1623 Acetylcysteine 163.03 CC(=O)N[C@@H](CS)C(O)=O PWKSKIMOESPYIA-BYPYZUCNSA-N 12035 BRD-K59058747-001-18-3 acetylcysteine 1 0 Selleck S1623 Acetylcysteine 163.03 CC(=O)N[C@@H](CS)C(O)=O PWKSKIMOESPYIA-BYPYZUCNSA-N 12035 BRD-K46585355-001-15-9 acetylsalicylsalicylic-acid 0 87.11 CombiBlocks QB-3224 Acetylsalicylsalicylic acid 300.063 CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(O)=O DDSFKIFGAPZBSR-UHFFFAOYSA-N 10745 BRD-K46585355-001-14-3 acetylsalicylsalicylic-acid 0 93.66 Prestwick Prestw-98 Acetylsalicylsalicylic acid 300.063 CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(O)=O DDSFKIFGAPZBSR-UHFFFAOYSA-N 10745 BRD-K00004968-001-01-9 acetylspiramycin 0 0.7 MedChemEx HY-B1916 Acetylspiramycin 884.525 "[H][C@@]1(C[C@@](C)(O)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@]3([H])CC[C@@H]([C@@H](C)O3)N(C)C)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@]([H])(OC(C)=O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C |t:42,44|" ZPCCSZFPOXBNDL-VGQMBGNASA-N BRD-K72215350-001-07-9 acexamic-acid 0 100 MedChemEx HY-B1259 6-Acetamidohexanoic acid 173.105 CC(=O)NCCCCCC(O)=O WDSCBUNMANHPFH-UHFFFAOYSA-N 2005 BRD-K72215350-001-06-5 acexamic-acid 0 100 MicroSource 1503045 ACEXAMIC ACID 173.105 CC(=O)NCCCCCC(O)=O WDSCBUNMANHPFH-UHFFFAOYSA-N 2005 BRD-A29520968-001-03-5 acifran 0 89.35 Tocris 1762 Acifran 218.058 "C[C@]1(OC(=CC1=O)C(O)=O)c1ccccc1 |&1:1,r,c:3|" DFDGRKNOFOJBAJ-LBPRGKRZSA-N 76969700 BRD-A29520968-001-04-9 acifran 0 78.16 Tocris 1762 Acifran 218.058 "C[C@]1(OC(=CC1=O)C(O)=O)c1ccccc1 |&1:1,r,c:3|" DFDGRKNOFOJBAJ-LBPRGKRZSA-N 76969700 BRD-A29520968-001-02-7 acifran 0 98.05 Tocris 1762 Acifran 218.058 "C[C@]1(OC(=CC1=O)C(O)=O)c1ccccc1 |&1:1,r,c:3|" DFDGRKNOFOJBAJ-LBPRGKRZSA-N 76969700 BRD-K63736853-001-06-3 acipimox 0 56.13 Tocris 2784 Acipimox 154.038 Cc1cnc(c[n+]1[O-])C(O)=O DJQOOSBJCLSSEY-UHFFFAOYSA-N 5310993 BRD-K63736853-001-04-8 acipimox 0 98.26 MicroSource 1504831 ACIPIMOX 154.038 Cc1cnc(c[n+]1[O-])C(O)=O DJQOOSBJCLSSEY-UHFFFAOYSA-N 5310993 BRD-K63736853-001-07-9 acipimox 0 94.16 Tocris 2784 Acipimox 154.038 Cc1cnc(c[n+]1[O-])C(O)=O DJQOOSBJCLSSEY-UHFFFAOYSA-N 5310993 BRD-K63736853-001-03-0 acipimox 0 97.97 Selleck S1806 Acipimox 154.038 Cc1cnc(c[n+]1[O-])C(O)=O DJQOOSBJCLSSEY-UHFFFAOYSA-N 5310993 BRD-K74236708-001-02-7 acitazanolast 0 96.68 LifeChem F2119-0003 oxo[3-(1H-tetraazol-5-yl)anilino]acetic acid 233.055 OC(=O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 VWQZJJZGISNFOE-UHFFFAOYSA-N 2006 BRD-K74236708-001-01-9 acitazanolast 0 79.13 LifeChem F2119-0003 233.055 OC(=O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 VWQZJJZGISNFOE-UHFFFAOYSA-N 2006 BRD-K62012036-001-14-4 acitretin 0 96.4 Selleck S1368 Acitretin 326.188 COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)c(C)c1C IHUNBGSDBOWDMA-AQFIFDHZSA-N 5284513 BRD-K62012036-001-13-6 acitretin 0 40.63 Selleck S1368 Acitretin 326.188 COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)c(C)c1C IHUNBGSDBOWDMA-AQFIFDHZSA-N 5284513 BRD-K13050541-001-01-9 acivicin 0 100 Enzo EI113 Acivicin 178.015 N[C@H]([C@@H]1CC(Cl)=NO1)C(O)=O |c:5| QAWIHIJWNYOLBE-ZAFYKAAXSA-N 16758175 BRD-K31965398-001-03-9 aclarubicin 0 48.88 Vitas-M STK177207 Aclacinomycin A 811.342 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC USZYSDMBJDPRIF-SVEJIMAYSA-N 86289437 BRD-K74363950-004-02-9 aclidinium 0 96.49 MedChemEx HY-14144 Aclidinium (Bromide) 484.162 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 ASMXXROZKSBQIH-VITNCHFBSA-N 11434515 BRD-K74363950-004-01-0 aclidinium 0 95.22 Selleck S4031 Aclidinium Bromide 484.162 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 ASMXXROZKSBQIH-VITNCHFBSA-N 11434515 BRD-K00004720-001-01-9 acolbifene 0 92.23 Cayman 23931 (2S)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-7-ol 457.225 CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 |t:1| DUYNJNWVGIWJRI-LJAQVGFWSA-N 155435 BRD-K00003303-001-01-9 acoziborole 0 97.98 MedChemEx HY-19910 Acoziborole 367.1 CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc12 PTYGDEXEGLDNAZ-UHFFFAOYSA-N 44178354 BRD-K66465025-001-08-9 ACPC 0 100 MedChemEx HY-30004 1-Aminocyclopropane-1-carboxylic acid 101.048 NC1(CC1)C(O)=O PAJPWUMXBYXFCZ-UHFFFAOYSA-N 6971063 BRD-K66465025-001-05-1 ACPC 0 85.02 Enzo AC387 1-Aminocyclopropanecarboxylic acid 101.048 NC1(CC1)C(O)=O PAJPWUMXBYXFCZ-UHFFFAOYSA-N 6971063 BRD-M87138257-003-01-1 acriflavine 0 70.4 Sigma MFCD00064307 "3,6-diamino-10-methylacridinium chloride compound with 3,6-acridinediamine (1:1)" 433.214 Nc1ccc2cc3ccc(N)cc3nc2c1.C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 BCBIBQWDFMQRSJ-UHFFFAOYSA-O 452192 BRD-K97874492-300-10-7 acriflavinium 0 53.49 TCI A0677 Acriflavine hydrochloride 224.119 C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 XSIOKTWDEOJMGG-UHFFFAOYSA-O 2016 BRD-K97874492-003-12-3 acriflavinium 0 37.65 MicroSource 1500618 ACRIFLAVINIUM HYDROCHLORIDE 224.119 C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 XSIOKTWDEOJMGG-UHFFFAOYSA-O 2016 BRD-M49658242-001-04-1 acrisorcin 0 61.47 MicroSource 1504218 ACRISORCIN 388.215 CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12 YZODJQFXMFEJRM-UHFFFAOYSA-N 24144 BRD-K50163129-001-02-9 acrivastine 0 93.58 MedChemEx HY-B1510 Acrivastine 348.184 Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1 PWACSDKDOHSSQD-IUTFFREVSA-N 5284514 BRD-K50163129-001-01-4 acrivastine 0 100 Enzo AC3005 ACRIVASTINE 348.184 Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1 PWACSDKDOHSSQD-IUTFFREVSA-N 5284514 BRD-M00184283-001-01-1 acrylate 1 0 Sigma MFCD00067207 sodium acrylate 95.011 [Na].OC(=O)C=C MNNFZYTXMPWOTA-UHFFFAOYSA-N BRD-K34843150-001-03-0 ACT-132577 0 80.39 MedChemEx HY-15895 ACT-132577 543.916 NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 DKULOVKANLVDEA-UHFFFAOYSA-N 25099191 BRD-K34843150-001-02-2 ACT-132577 0 42.36 MedChemEx HY-15895 ACT-132577 543.916 NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 DKULOVKANLVDEA-UHFFFAOYSA-N 25099191 BRD-K34843150-001-01-4 ACT-132577 0 0 MedChemEx HY-15895 ACT-132577 543.916 NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 DKULOVKANLVDEA-UHFFFAOYSA-N 25099191 BRD-K19781342-001-02-2 ACT-462206 0 96.89 Tocris 5319 ACT 462206 388.146 COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 NHPQGZOBHSVTAQ-IBGZPJMESA-N 40924317 BRD-K19781342-001-01-4 ACT-462206 0 97.06 Sigma MFCD28502270 "(S)-N-(3,5-dimethylphenyl)-1-((4-methoxyphenyl)sulfonyl)pyrrolidine-2-carboxamide" 388.146 COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 NHPQGZOBHSVTAQ-IBGZPJMESA-N 40924317 BRD-K19781342-001-03-9 ACT-462206 0 Tocris 5319 ACT 462206 388.146 COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 NHPQGZOBHSVTAQ-IBGZPJMESA-N 40924317 BRD-K33483813-001-13-9 actarit 0 92.17 MedChemEx HY-76938 2-(4-Acetamidophenyl)acetic acid 193.074 CC(=O)Nc1ccc(CC(O)=O)cc1 MROJXXOCABQVEF-UHFFFAOYSA-N 2018 BRD-K33483813-001-10-0 actarit 0 96.94 MicroSource 1502413 ACTARIT 193.074 CC(=O)Nc1ccc(CC(O)=O)cc1 MROJXXOCABQVEF-UHFFFAOYSA-N 2018 BRD-K35936936-001-01-6 ACTB-1003 0 95.17 MedChemEx HY-16025 ACTB-1003 591.202 COCc1c(CN2CCOCC2)n2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)c(F)c1 GZPJCJKUZPUFAL-UHFFFAOYSA-N 23653175 BRD-K35936936-001-02-9 ACTB-1003 0 90.63 MedChemEx HY-16025 ACTB-1003 591.202 COCc1c(CN2CCOCC2)n2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)c(F)c1 GZPJCJKUZPUFAL-UHFFFAOYSA-N 23653175 BRD-K16547679-001-01-5 actinomycin-d 0 81.15 MedChemEx HY-17559 Actinomycin D 1254.628 CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O RJURFGZVJUQBHK-DCUCITLNSA-N 78357827 BRD-K16547679-001-02-9 actinomycin-d 0 88.46 MedChemEx HY-17559 Actinomycin D 1254.628 CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O RJURFGZVJUQBHK-DCUCITLNSA-N 78357827 BRD-K16547679-001-03-9 actinomycin-d 0 77.79 Tocris 1229 Actinomycin D 1254.628 CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O RJURFGZVJUQBHK-DCUCITLNSA-N 78357827 BRD-K08837089-236-01-6 actinoquinol 0 85.47 MicroSource 1505401 ACTINOQUINOL SODIUM 253.041 CCOc1ccc(c2cccnc12)S(O)(=O)=O YAMVZYRZAMBCED-UHFFFAOYSA-N 23674 BRD-K08837089-001-03-9 actinoquinol 0 95.87 Sigma MFCD00065059 8-ETHOXY-5-QUINOLINESULFONIC ACID 253.041 CCOc1ccc(c2cccnc12)S(O)(=O)=O YAMVZYRZAMBCED-UHFFFAOYSA-N 23674 BRD-K00003220-001-01-9 acumapimod 0 97.64 MedChemEx HY-16715 Acumapimod 385.154 Cc1ccc(cc1-n1ncc(C(=O)c2cccc(c2)C#N)c1N)C(=O)NC1CC1 VGUSQKZDZHAAEE-UHFFFAOYSA-N 11338127 BRD-K82928847-001-04-7 ACY-1215 0 95.76 Selleck S8001 Rocilinostat (ACY-1215) 433.211 ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 QGZYDVAGYRLSKP-UHFFFAOYSA-N 53340666 BRD-K82928847-001-07-9 ACY-1215 0 92.56 MedChemEx HY-16026 Ricolinostat 433.211 ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 QGZYDVAGYRLSKP-UHFFFAOYSA-N 53340666 BRD-K32318651-001-26-0 acyclovir 0 98.02 Tocris 2513 Acyclovir 225.086 Nc1nc(=O)c2ncn(COCCO)c2[nH]1 MKUXAQIIEYXACX-UHFFFAOYSA-N 135398513 BRD-K32318651-001-23-7 acyclovir 0 88.29 MicroSource 1503603 ACYCLOVIR 225.086 Nc1nc(=O)c2ncn(COCCO)c2[nH]1 MKUXAQIIEYXACX-UHFFFAOYSA-N 135398513 BRD-K32318651-001-22-9 acyclovir 0 82.8 Tocris 2513 Acyclovir 225.086 Nc1nc(=O)c2ncn(COCCO)c2[nH]1 MKUXAQIIEYXACX-UHFFFAOYSA-N 135398513 BRD-K32318651-001-21-1 acyclovir 0 87.64 Selleck S1807 Aciclovir 225.086 Nc1nc(=O)c2ncn(COCCO)c2[nH]1 MKUXAQIIEYXACX-UHFFFAOYSA-N 135398513 BRD-K32318651-001-24-5 acyclovir 0 100 Selleck S1807 Acyclovir (Aciclovir) 225.086 Nc1nc(=O)c2ncn(COCCO)c2[nH]1 MKUXAQIIEYXACX-UHFFFAOYSA-N 135398513 BRD-A80280426-001-03-8 AD-5467 0 88.22 Maybridge KM06746 "(2,8-diisopropyl-3-thioxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid" 307.124 "CC(C)[C@H]1Oc2c(cccc2N(CC(O)=O)C1=S)C(C)C |&1:3,r|" CLDJCRWXLDLJLO-CQSZACIVSA-N 6933882 BRD-A80280426-001-02-0 AD-5467 0 8.57 Maybridge KM06746 307.124 "CC(C)[C@H]1Oc2c(cccc2N(CC(O)=O)C1=S)C(C)C |&1:3,r|" CLDJCRWXLDLJLO-CQSZACIVSA-N 6933882 BRD-K33127281-001-06-4 adapalene 0 97.8 Tocris 2852 Adapalene 412.204 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O LZCDAPDGXCYOEH-UHFFFAOYSA-N 60164 BRD-K33127281-001-05-6 adapalene 0 99.81 MicroSource 1502376 ADAPALENE 412.204 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O LZCDAPDGXCYOEH-UHFFFAOYSA-N 60164 BRD-K33127281-001-04-9 adapalene 0 98.53 Selleck S1276 Adapalene 412.204 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O LZCDAPDGXCYOEH-UHFFFAOYSA-N 60164 BRD-A73427433-240-01-3 adaprev 0 59.36 TCI G0052 260.03 "O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |a:3,10,12,14,&1:1|" NBSCHQHZLSJFNQ-DVKNGEFBSA-N 439284 BRD-K37151368-001-01-7 adaptavir 0 89.21 Tocris 2423 "(2S)-N~1~-[(1S)-2-{[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]amino}-1-(4-hydroxybenzyl)-2-oxoethyl]-2-{[(2S,5S,8S,11S,14R)-14-amino-2,5,8-tris[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-4,7,10,13-tetrao" 856.393 C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O AKWRNBWMGFUAMF-ZESMOPTKSA-N 184644 BRD-K37151368-001-02-9 adaptavir 0 81.2 MedChemEx HY-P1034 DAPTA 856.393 C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O AKWRNBWMGFUAMF-ZESMOPTKSA-N 184644 BRD-K00152668-001-01-5 adarotene 0 93.85 MedChemEx HY-14808 Adarotene 374.188 OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 QAWBIEIZDDIEMW-FPYGCLRLSA-N 9864378 BRD-K00152668-001-02-9 adarotene 0 95.05 MedChemEx HY-14808 Adarotene 374.188 OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 QAWBIEIZDDIEMW-FPYGCLRLSA-N 9864378 BRD-K67789209-001-01-0 adatanserin 0 87.69 Enamine Z749259376 369.253 O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 HPFLVTSWRFCPCV-UHFFFAOYSA-N 130918 BRD-K00003499-001-01-9 adavivint 0 97.16 MedChemEx HY-109049 Adavivint 505.203 CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1 AQDWDWAYVBQMAM-UHFFFAOYSA-N 135565709 BRD-K43055376-001-01-2 ADD-233089 0 98.53 MedChemEx HY-14953 AWD 131-138 279.077 Clc1ccc(cc1)-n1cc([nH]c1=O)N1CCOCC1 OKVOKULYZXODKU-UHFFFAOYSA-N 54155633 BRD-K43055376-001-02-9 ADD-233089 0 97.53 MedChemEx HY-14953 Imepitoin 279.077 Clc1ccc(cc1)-n1cc([nH]c1=O)N1CCOCC1 OKVOKULYZXODKU-UHFFFAOYSA-N 54155633 BRD-K77484724-001-03-8 adefovir 0 99.1 Sigma MFCD00866943 [2-(6-amino-9H-purin-9-yl)ethoxy]methylphosphonic acid 273.063 Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 SUPKOOSCJHTBAH-UHFFFAOYSA-N 60172 BRD-K77484724-001-02-0 adefovir 0 0 AKSci H714 273.063 Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 SUPKOOSCJHTBAH-UHFFFAOYSA-N 60172 BRD-K96159438-001-08-9 adefovir-dipivoxil 0 90.59 MedChemEx HY-B0255 Adefovir dipivoxil 501.199 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C WOZSCQDILHKSGG-UHFFFAOYSA-N 60871 BRD-K96159438-001-07-1 adefovir-dipivoxil 0 84.46 Selleck S1718 "Adefovir Dipivoxil (Preveon, Hepsera)" 501.199 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C WOZSCQDILHKSGG-UHFFFAOYSA-N 60871 BRD-K96159438-001-06-3 adefovir-dipivoxil 0 86.36 Selleck S1718 Adefovir Dipivoxil 501.199 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C WOZSCQDILHKSGG-UHFFFAOYSA-N 60871 BRD-K78097265-001-02-9 adelmidrol 0 88.06 MedChemEx HY-B1026 Adelmidrol 274.189 OCCNC(=O)CCCCCCCC(=O)NCCO PAHZPHDAJQIETD-UHFFFAOYSA-N 176874 BRD-K78097265-001-01-6 adelmidrol 0 53.55 MicroSource 1301013 ADELMIDROL 274.189 OCCNC(=O)CCCCCCCC(=O)NCCO PAHZPHDAJQIETD-UHFFFAOYSA-N 176874 BRD-K78185697-001-02-5 ademetionine 0 0 MedChemEx HY-B0617 Ademetionine 399.145 C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 MEFKEPWMEQBLKI-AIRLBKTGSA-O 34756 BRD-K78185697-001-01-7 ademetionine 0 0 MedChemEx HY-B0617 Ademetionine 399.145 C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 MEFKEPWMEQBLKI-AIRLBKTGSA-O 34756 BRD-K26060080-065-05-6 adenine 0 97.86 Selleck S1982 Adenine sulfate 135.054 Nc1ncnc2nc[nH]c12 GFFGJBXGBJISGV-UHFFFAOYSA-N 190 BRD-M27046829-065-02-5 BRD-K26060080-001-11-9 adenine 0 94.2 MicroSource 1500807 ADENINE 135.054 Nc1ncnc2nc[nH]c12 GFFGJBXGBJISGV-UHFFFAOYSA-N 190 BRD-K26060080-003-07-3 adenine 0 95.4 Selleck S1983 Adenine HCl 135.054 Nc1ncnc2nc[nH]c12 GFFGJBXGBJISGV-UHFFFAOYSA-N 190 BRD-K26060080-001-10-1 adenine 0 97.6 Selleck S1981 Adenine 135.054 Nc1ncnc2nc[nH]c12 GFFGJBXGBJISGV-UHFFFAOYSA-N 190 BRD-K01577834-001-15-1 adenosine 0 96.7 MicroSource 1500107 ADENOSINE 267.097 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O OIRDTQYFTABQOQ-KQYNXXCUSA-N 60961 BRD-K01577834-001-16-9 adenosine 0 94.77 Selleck S1647 Adenosine 267.097 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O OIRDTQYFTABQOQ-KQYNXXCUSA-N 60961 BRD-K63038995-001-01-4 BRD-K85767870-001-14-9 adenosine-phosphate 0 100 MedChemEx HY-A0181 Adenosine monophosphate 347.063 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O UDMBCSSLTHHNCD-KQYNXXCUSA-N 6083 BRD-K00003709-001-01-9 adenosine-triphosphate 0 79.1 MedChemEx HY-B2176 ATP 506.996 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O ZKHQWZAMYRWXGA-KQYNXXCUSA-N 5957 BRD-K60907894-003-24-9 adiphenine 0 95.9 MedChemEx HY-B0379A Adiphenine (hydrochloride) 311.189 CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 JGOAIQNSOGZNBX-UHFFFAOYSA-N 2031 BRD-K60907894-003-23-5 adiphenine 0 94.95 MicroSource 1503073 ADIPHENINE HYDROCHLORIDE 311.189 CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 JGOAIQNSOGZNBX-UHFFFAOYSA-N 2031 BRD-K60907894-003-22-7 adiphenine 0 94.79 Selleck S2082 Adiphenine HCl 311.189 CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 JGOAIQNSOGZNBX-UHFFFAOYSA-N 2031 BRD-K10656395-001-02-1 adipic-acid 0 100 Enamine Z57127533 146.058 OC(=O)CCCCC(O)=O WNLRTRBMVRJNCN-UHFFFAOYSA-N 22494954 BRD-K68810443-003-03-9 adiporon 0 96.64 Tocris 5096 AdipoRon hydrochloride 428.21 O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 SHHUPGSHGSNPDB-UHFFFAOYSA-N 16307093 BRD-K68810443-001-01-9 adiporon 0 88.41 Selleck S7365 AdipoRon 428.21 O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 SHHUPGSHGSNPDB-UHFFFAOYSA-N 16307093 BRD-K68810443-003-01-5 adiporon 0 96.7 Tocris 5096 AdipoRon hydrochloride 428.21 O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 SHHUPGSHGSNPDB-UHFFFAOYSA-N 16307093 BRD-K68810443-001-02-7 adiporon 0 98.48 Selleck S7365 Adiporon 428.21 O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 SHHUPGSHGSNPDB-UHFFFAOYSA-N 16307093 BRD-K39624409-003-02-6 ADL5859 0 86.8 Selleck S1139 ADL5859 HCl 392.21 CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14| OPIKUXLJQFYMSC-UHFFFAOYSA-N 11417954 BRD-K39624409-003-03-4 ADL5859 0 96.95 Selleck S1139 ADL5859 HCl 392.21 CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14| OPIKUXLJQFYMSC-UHFFFAOYSA-N 11417954 BRD-K39624409-003-04-2 ADL5859 0 96.21 Selleck S1139 ADL5859 HCl 392.21 CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14| OPIKUXLJQFYMSC-UHFFFAOYSA-N 11417954 BRD-K00003302-001-01-9 adomeglivant 0 98.11 MedChemEx HY-19904 Adomeglivant 555.26 Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(cc2)C(=O)NCCC(O)=O)cc(C)c1-c1ccc(cc1)C(C)(C)C FASLTMSUPQDLIB-MHZLTWQESA-N 91933867 BRD-K34870043-001-01-8 adoprazine 0 95.25 MedChemEx HY-14782 Adoprazine 405.185 Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1 IUVSEUFHPNITEQ-UHFFFAOYSA-N 9887537 BRD-K34870043-001-02-9 adoprazine 0 95.53 MedChemEx HY-14782 Adoprazine 405.185 Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1 IUVSEUFHPNITEQ-UHFFFAOYSA-N 9887537 BRD-A90926615-001-02-7 adrafinil 0 96.69 MedChemEx HY-17549 Adrafinil 289.077 ONC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| CGNMLOKEMNBUAI-HXUWFJFHSA-N 25271624 BRD-A90926615-001-03-9 adrafinil 0 72.4 MedChemEx HY-17549 Adrafinil 289.077 ONC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| CGNMLOKEMNBUAI-HXUWFJFHSA-N 25271624 BRD-A90926615-001-01-9 adrafinil 0 84.76 MedChemEx HY-17549 Adrafinil 289.077 ONC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| CGNMLOKEMNBUAI-HXUWFJFHSA-N 25271624 BRD-K82343404-003-06-9 adrenalone 0 96.6 MedChemEx HY-B1308 Adrenalone (hydrochloride) 181.074 CNCC(=O)c1ccc(O)c(O)c1 PZMVOUYYNKPMSI-UHFFFAOYSA-N 7436 BRD-K82343404-003-03-2 adrenalone 0 88.41 MicroSource 1506124 ADRENALONE HYDROCHLORIDE 181.074 CNCC(=O)c1ccc(O)c(O)c1 PZMVOUYYNKPMSI-UHFFFAOYSA-N 7436 BRD-K82343404-003-02-4 adrenalone 0 91.31 Selleck S3185 Adrenalone HCl 181.074 CNCC(=O)c1ccc(O)c(O)c1 PZMVOUYYNKPMSI-UHFFFAOYSA-N 7436 BRD-K17368287-001-18-3 adrenosterone 0 98.71 MedChemEx HY-17462 Adrenosterone 300.173 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:9| RZRPTBIGEANTGU-IRIMSJTPSA-N 223997 BRD-K17368287-001-19-9 adrenosterone 0 83.42 MedChemEx HY-17462 Adrenosterone 300.173 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:9| RZRPTBIGEANTGU-IRIMSJTPSA-N 223997 BRD-K77911775-003-02-9 ADX-10059 0 96.26 Tocris 4416 ADX 10059 hydrochloride 240.106 Cc1cc(C)c(N)c(n1)C#Cc1cccc(F)c1 MEDCLNYIYBERKO-UHFFFAOYSA-N 10331863 BRD-K77911775-003-01-8 ADX-10059 0 94.68 Tocris 4416 ADX 10059 hydrochloride 240.106 Cc1cc(C)c(N)c(n1)C#Cc1cccc(F)c1 MEDCLNYIYBERKO-UHFFFAOYSA-N 10331863 BRD-K56543881-001-03-9 ADX-47273 0 95.37 MedChemEx HY-13058 ADX-47273 369.129 Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1 VXQCCZHCFBHTTD-HNNXBMFYSA-N 11383075 BRD-K56543881-001-02-7 ADX-47273 0 96.63 Selleck S2690 ADX-47273 369.129 Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1 VXQCCZHCFBHTTD-HNNXBMFYSA-N 11383075 BRD-K40718343-001-05-9 AEE788 0 96.08 Tocris 5318 AEE 788 440.269 CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 OONFNUWBHFSNBT-HXUWFJFHSA-N 10297043 BRD-K40718343-001-04-2 AEE788 0 96.82 Tocris 5318 AEE 788 440.269 CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 OONFNUWBHFSNBT-HXUWFJFHSA-N 10297043 BRD-K40718343-001-03-4 AEE788 0 81.32 Selleck S1486 AEE788 (NVP-AEE788) 440.269 CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 OONFNUWBHFSNBT-HXUWFJFHSA-N 10297043 BRD-K40718343-001-02-6 AEE788 0 87.81 Selleck S1486 AEE788 (NVP-AEE788) 440.269 CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 OONFNUWBHFSNBT-HXUWFJFHSA-N 10297043 BRD-K77634909-001-05-0 AEG3482 0 92.32 Tocris 2651 AEG 3482 280.009 NS(=O)(=O)c1nn2cc(nc2s1)-c1ccccc1 MQUYTXDAVCOCMX-UHFFFAOYSA-N 698112 BRD-K77634909-001-03-5 AEG3482 0 97.67 Tocris 2651 AEG 3482 280.009 NS(=O)(=O)c1nn2cc(nc2s1)-c1ccccc1 MQUYTXDAVCOCMX-UHFFFAOYSA-N 698112 BRD-K77634909-001-06-9 AEG3482 0 90.83 Tocris 2651 AEG 3482 280.009 NS(=O)(=O)c1nn2cc(nc2s1)-c1ccccc1 MQUYTXDAVCOCMX-UHFFFAOYSA-N 698112 BRD-K47816470-001-01-8 AF38469 0 96.02 MedChemEx HY-12802 AF38469 324.072 Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 JWCUSQCZMQIBMR-UHFFFAOYSA-N 72706115 BRD-K53205568-001-02-6 afalanine 0 98.01 MicroSource 1506105 AFALANINE 207.09 CC(=O)N[C@@H](Cc1ccccc1)C(O)=O CBQJSKKFNMDLON-JTQLQIEISA-N 74839 BRD-K53205568-001-04-9 afalanine 0 98.9 MedChemEx HY-Y0068 NSC 45699 207.09 CC(=O)N[C@@H](Cc1ccccc1)C(O)=O CBQJSKKFNMDLON-JTQLQIEISA-N 74839 BRD-K00003330-001-01-9 afamelanotide 0 78.21 MedChemEx HY-N2466 Melanotan I 1645.837 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O UAHFGYDRQSXQEB-LEBBXHLNSA-N 91898441 BRD-K66175015-332-01-6 afatinib 0 99.28 MedChemEx HY-10261A Afatinib (dimaleate) 485.163 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 ULXXDDBFHOBEHA-CWDCEQMOSA-N 10184653 BRD-K66175015-001-13-2 afatinib 0 98.26 Selleck S1011 afatinib 485.163 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 ULXXDDBFHOBEHA-CWDCEQMOSA-N 10184653 BRD-K66175015-001-09-0 afatinib 0 97.22 Selleck S1011 Afatinib (BIBW2992) 485.163 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 ULXXDDBFHOBEHA-CWDCEQMOSA-N 10184653 BRD-K04210847-001-21-9 afimoxifene 0 47.39 Sigma H7904 4-((1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-butenyl)phenol 387.22 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 TXUZVZSFRXZGTL-QPLCGJKRSA-N 449459 BRD-K69247067-001-01-8 afloqualone 0 97.87 AKSci 67719 283.112 Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O VDOSWXIDETXFET-UHFFFAOYSA-N 2040 BRD-K23791635-001-01-3 AFN-1252 0 95.38 MedChemEx HY-16911 AFN-1252 375.158 CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 QXTWSUQCXCWEHF-JXMROGBWSA-N 10407120 BRD-K37793595-003-01-7 afobazole 0 98.16 MedChemEx HY-14895A Afobazole (hydrochloride) 307.135 CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1 WWNUCVSRRUDYPP-UHFFFAOYSA-N 9862937 BRD-K37793595-003-02-9 afobazole 0 97.23 MedChemEx HY-14895A Fabomotizole (hydrochloride) 307.135 CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1 WWNUCVSRRUDYPP-UHFFFAOYSA-N 9862937 BRD-K08310154-001-03-8 AG-1024 0 91.46 Selleck S1234 AG-1024 304.021 CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O ABBADGFSRBWENF-UHFFFAOYSA-N 2044 BRD-K00615600-001-12-9 AG-14361 0 81.68 Selleck S2178 AG-14361 320.164 CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 SEKJSSBJKFLZIT-UHFFFAOYSA-N 9840076 BRD-K00615600-001-13-7 AG-14361 0 95.36 Selleck S2178 AG14361 320.164 CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 SEKJSSBJKFLZIT-UHFFFAOYSA-N 9840076 BRD-K47105409-001-15-2 AG-490 0 79.4 Selleck S1143 AG-490 294.1 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O TUCIOBMMDDOEMM-RIYZIHGNSA-N 5328779 BRD-K47105409-001-14-5 AG-490 0 90.64 Tocris 414 AG 490 294.1 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O TUCIOBMMDDOEMM-RIYZIHGNSA-N 5328779 BRD-K47105409-001-13-7 AG-490 0 68.4 Selleck S1143 AG-490 (Tyrphostin B42) 294.1 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O TUCIOBMMDDOEMM-RIYZIHGNSA-N 5328779 BRD-K47105409-001-16-9 AG-490 0 92.57 Tocris 414 AG 490 294.1 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O TUCIOBMMDDOEMM-RIYZIHGNSA-N 5328779 BRD-K34428485-001-18-4 AG-555 0 58.16 Tocris 618 AG 555 322.132 Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O GSQOBTOAOGXIFL-LFIBNONCSA-N 5328770 BRD-K81048131-001-03-9 AG-556 0 93.77 Tocris 616 AG 556 336.147 Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O GWCNJMUSWLTSCW-SFQUDFHCSA-N 5328775 BRD-K81048131-001-02-4 AG-556 0 57.92 Tocris 616 AG 556 336.147 Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O GWCNJMUSWLTSCW-SFQUDFHCSA-N 5328775 BRD-A56371469-001-03-3 AGI-5198 0 98.97 Selleck S7185 AGI-5198 462.243 "Cc1nccn1CC(=O)N([C@@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |&1:10,r|" FNYGWXSATBUBER-AREMUKBSSA-N 97161269 BRD-K04691817-001-01-8 AGI-6780 0 96.02 Selleck S7241 AGI-6780 481.074 FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1 CCAWRGNYALGPQH-UHFFFAOYSA-N 71299339 BRD-K04691817-001-03-9 AGI-6780 0 91.16 MedChemEx HY-15734 AGI-6780 481.074 FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1 CCAWRGNYALGPQH-UHFFFAOYSA-N 71299339 BRD-A78111609-001-01-2 AGM-1470 0 58.76 Enzo WN111 TNP-470 401.161 "CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl |a:2,3,6,10,13,&1:9|" MSHZHSPISPJWHW-FRDQJGBZSA-N 14942882 BRD-K49738308-065-04-9 agmatine 1 0 Enzo AC162 Agmatine sulfate 130.122 NCCCCNC(N)=N QYPPJABKJHAVHS-UHFFFAOYSA-N 199 BRD-A18074780-003-02-0 AGN-192403 0 100 Tocris 1072 AGN 192403 hydrochloride 153.152 "CC(C)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N |a:3,9,&1:4,&2:7|" SHXVJSFOJHMEEQ-AXTSPUMRSA-N 124581813 BRD-A79038507-003-02-3 BRD-A18074780-003-04-6 AGN-192403 0 Tocris 1072 AGN 192403 Hydrochloride 153.152 "CC(C)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N |a:3,9,&1:4,&2:7|" SHXVJSFOJHMEEQ-AXTSPUMRSA-N 124581813 BRD-A79038507-003-03-1 BRD-K70262971-001-01-9 AGN-194310 0 97.17 MedChemEx HY-16681 AGN 194310 424.15 CCc1ccc(cc1)C1=CC(C)(C)Sc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9| LHUPKWKWYWOMSK-UHFFFAOYSA-N 9867046 BRD-K32533226-001-01-3 AGN-195183 0 94.51 MedChemEx HY-16684 AGN 195183 437.121 CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 PNAWUIKCVQSLFG-UHFFFAOYSA-N 9867758 BRD-K84698278-001-03-4 agomelatine 0 98.23 Selleck S1243 Agomelatine 243.126 COc1ccc2cccc(CCNC(C)=O)c2c1 YJYPHIXNFHFHND-UHFFFAOYSA-N 82148 BRD-K84698278-001-05-9 agomelatine 0 98.15 MedChemEx HY-17038 Agomelatine 243.126 COc1ccc2cccc(CCNC(C)=O)c2c1 YJYPHIXNFHFHND-UHFFFAOYSA-N 82148 BRD-K91495480-001-03-9 AGP-103 0 100 Sigma MFCD00002807 Behenic acid 340.334 CCCCCCCCCCCCCCCCCCCCCC(O)=O UKMSUNONTOPOIO-UHFFFAOYSA-N 8215 BRD-K91495480-001-02-2 AGP-103 0 91.5 Enzo BL147 Docosanoic acid 340.334 CCCCCCCCCCCCCCCCCCCCCC(O)=O UKMSUNONTOPOIO-UHFFFAOYSA-N 8215 BRD-K10852420-001-03-9 AH-7614 0 97.69 Tocris 5256 AH 7614 351.093 Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12 OZCQEUZTOAAWDK-UHFFFAOYSA-N 233085 BRD-K10852420-001-02-5 AH-7614 0 95.83 Tocris 5256 AH 7614 351.093 Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12 OZCQEUZTOAAWDK-UHFFFAOYSA-N 233085 BRD-A64808605-003-03-9 AH11110 0 98.87 Tocris 998 AH 11110 hydrochloride 338.199 O[C@@H](COc1ccccc1-c1ccccc1)CC(=N)N1CCCCC1 |&1:1| HSVZQQYIMKLNLN-GOSISDBHSA-N 6604792 BRD-A64808605-003-02-7 AH11110 0 98.96 Tocris 998 AH 11110 hydrochloride 338.199 O[C@@H](COc1ccccc1-c1ccccc1)CC(=N)N1CCCCC1 |&1:1| HSVZQQYIMKLNLN-GOSISDBHSA-N 6604792 BRD-K59339270-001-03-4 AH6809 0 94.5 Tocris 671 AH 6809 298.084 CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O AQFFXPQJLZFABJ-UHFFFAOYSA-N 119461 BRD-K59339270-001-04-9 AH6809 0 92.14 Tocris 671 AH 6809 298.084 CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O AQFFXPQJLZFABJ-UHFFFAOYSA-N 119461 BRD-K59339270-001-02-6 AH6809 0 96.06 Tocris 671 AH 6809 298.084 CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O AQFFXPQJLZFABJ-UHFFFAOYSA-N 119461 BRD-K89899948-001-01-7 AI-10-49 0 92.82 MedChemEx HY-16786 AI-10-49 660.156 FC(F)(F)Oc1ccc2nc([nH]c2c1)-c1ccc(OCCOCCOc2ccc(nc2)-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cn1 WJBSSBFGPKTMQQ-UHFFFAOYSA-N 49806644 BRD-K85139301-001-02-9 AIM-100 0 96.49 Tocris 4946 AIM 100 371.163 C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 XNFHHOXCDUAYSR-SFHVURJKSA-N 11501591 BRD-K85139301-001-01-3 AIM-100 0 98.41 Tocris 4946 AIM 100 371.163 C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 XNFHHOXCDUAYSR-SFHVURJKSA-N 11501591 BRD-K76677554-003-03-9 AJ76-(+) 0 91.57 Tocris 678 (+)-AJ 76 hydrochloride 233.178 CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C YGHLYBIUVOLKCV-SMDDNHRTSA-N 122334 BRD-K76677554-003-02-1 AJ76-(+) 0 94.73 Tocris 678 (+)-AJ 76 hydrochloride 233.178 CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C YGHLYBIUVOLKCV-SMDDNHRTSA-N 122334 BRD-K00005347-001-01-9 ajmaline 0 93.33 Toronto a448000 ajmaline 326.199 [H][C@]12C[C@]34[C@H](O)[C@@]1([H])[C@]1([H])C[C@]([H])(N2[C@H](O)[C@@]1([H])CC)[C@]3([H])N(C)c1ccccc41 CJDRUOGAGYHKKD-BDXZSHBPSA-N 98054312 BRD-K09143580-001-02-9 AK-7 0 96.21 Tocris 4754 AK 7 436.046 Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 IYAYHZZWYNXHEQ-UHFFFAOYSA-N 1328033 BRD-K09143580-001-01-0 AK-7 0 96.33 Tocris 4754 AK 7 436.046 Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 IYAYHZZWYNXHEQ-UHFFFAOYSA-N 1328033 BRD-K54907283-001-01-2 AKBA 0 90.39 MedChemEx HY-N0892 AKBA 512.35 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |c:10| HMMGKOVEOFBCAU-BCDBGHSCSA-N 11168203 BRD-K54907283-001-02-9 AKBA 0 83.04 Toronto a185015 3-acetyl-11-keto-b-boswellic acid 512.35 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |c:10| HMMGKOVEOFBCAU-BCDBGHSCSA-N 11168203 BRD-K26807903-001-04-3 aklomide 0 98.9 MicroSource 1503014 AKLOMIDE 199.999 NC(=O)c1ccc(cc1Cl)[N+]([O-])=O GFGSZUNNBQXGMK-UHFFFAOYSA-N 2075 BRD-K44731351-001-02-9 AL-8697 0 0 Tocris 4753 AL 8697 402.167 Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 ZVBTZTQYHOXIBC-UHFFFAOYSA-N 25060093 BRD-K44731351-001-01-6 AL-8697 0 99.77 Tocris 4753 AL 8697 402.167 Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 ZVBTZTQYHOXIBC-UHFFFAOYSA-N 25060093 BRD-K51784806-001-01-6 alacepril 0 98.51 Key KS-1321 (2S)-2-[({(2S)-1-[(2S)-3-(acetylsulfanyl)-2-methylpropanoyl]-2-pyrrolidinyl}carbonyl)amino]-3-phenylpropanoic acid 406.156 C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O FHHHOYXPRDYHEZ-COXVUDFISA-N 71992 BRD-K51784806-001-02-9 alacepril 0 95.43 Key KS-1321 (2S)-2-[({(2S)-1-[(2S)-3-(acetylsulfanyl)-2-methylpropanoyl]-2-pyrrolidinyl}carbonyl)amino]-3-phenylpropanoic acid 406.156 C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O FHHHOYXPRDYHEZ-COXVUDFISA-N 71992 BRD-K80403280-001-02-1 alafosfalin 0 93.9 Sigma MFCD01569244 (1R)-1-{[(2S)-2-aminopropanoyl]amino}ethylphosphonic acid 196.061 C[C@H](N)C(=O)N[C@@H](C)P(O)(O)=O BHAYDBSYOBONRV-IUYQGCFVSA-N 71957 BRD-K96029467-003-01-9 alagebrium 0 87.59 OxChem AX8020322 232.08 Cc1sc[n+](CC(=O)c2ccccc2)c1C LYLFQLCLUXOFOL-UHFFFAOYSA-N 216305 BRD-A33317514-001-01-3 alanine 0 69.19 Sigma V900641 alanine 89.048 "C[C@@H](N)C(O)=O |&1:1,r|" QNAYBMKLOCPYGJ-UWTATZPHSA-N 7311725 BRD-K00004718-001-01-9 alanosine 0 0 Cayman 19545 (2S)-2-amino-3-(1-hydroxy-2-oxohydrazino)propanoic acid 149.044 N[C@@H](CN(O)[N+][O-])C(O)=O MLFKVJCWGUZWNV-REOHCLBHSA-N 90657278 BRD-K53731810-001-05-9 alantolactone 0 91.14 Tocris 4490 Alantolactone 232.146 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |t:16| PXOYOCNNSUAQNS-AGNJHWRGSA-N 72724 BRD-K53731810-001-04-3 alantolactone 0 86.65 Tocris 4490 Alantolactone 232.146 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |t:16| PXOYOCNNSUAQNS-AGNJHWRGSA-N 72724 BRD-K01826783-003-07-9 alaproclate 0 95.15 AlfaAesar J62741 291.079 C[C@@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 |&1:1| FZSPJBYOKQPKCD-SECBINFHSA-N 23622192 BRD-K42140276-402-01-4 alarelin 0 96.08 MedChemEx HY-17405 Alarelin (Acetate) 1166.599 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 QLGKMLRGKPKGKI-QWQCQAQZSA-N 9855027 BRD-K79131256-001-20-9 albendazole 0 94.73 MedChemEx HY-B0223 Albendazole 265.088 CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1 HXHWSAZORRCQMX-UHFFFAOYSA-N 2082 BRD-K79131256-001-18-7 albendazole 0 84.18 MicroSource 1503903 ALBENDAZOLE 265.088 CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1 HXHWSAZORRCQMX-UHFFFAOYSA-N 2082 BRD-K79131256-001-17-9 albendazole 0 93.82 Selleck S1640 Albendazole 265.088 CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1 HXHWSAZORRCQMX-UHFFFAOYSA-N 2082 BRD-A67060370-001-02-9 albendazole-oxide 0 97.13 Selleck S1836 Albendazole Oxide 281.083 CCC[S@@](=O)c1ccc2nc(NC(=O)OC)[nH]c2c1 |r| VXTGHWHFYNYFFV-LJQANCHMSA-N 13805917 BRD-A67060370-001-04-5 albendazole-oxide 0 97.1 Selleck S1836 Albendazole Oxide (Ricobendazole) 281.083 CCC[S@@](=O)c1ccc2nc(NC(=O)OC)[nH]c2c1 |r| VXTGHWHFYNYFFV-LJQANCHMSA-N 13805917 BRD-K01825118-065-05-9 albuterol 0 87.09 Tocris 634 Salbutamol hemisulfate 239.152 CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 |&1:6| NDAUXUAQIAJITI-GFCCVEGCSA-N 182176 BRD-K01825118-065-04-9 albuterol 0 90.96 Selleck S2507 Salbutamol sulfate (Albuterol) 337.12 CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 |&1:6| NDAUXUAQIAJITI-GFCCVEGCSA-N 182176 BRD-K55991142-001-01-6 alcaftadine 0 99.28 MedChemEx HY-17039 "11-(1-methyl-4-piperidinylidene)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine-3-carbaldehyde" 307.168 CN1CCC(CC1)=C1c2ncc(C=O)n2CCc2ccccc12 MWTBKTRZPHJQLH-UHFFFAOYSA-N 19371515 BRD-K47492008-001-02-7 alclofenac 0 96.73 Sigma MFCD00071612 [4-(allyloxy)-3-chlorophenyl]acetic acid 226.04 OC(=O)Cc1ccc(OCC=C)c(Cl)c1 ARHWPKZXBHOEEE-UHFFFAOYSA-N 30951 BRD-A17407635-001-04-0 alclometasone-dipropionate 0 97.41 Prestwick Prestw-771 Alclometasone dipropionate 520.223 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |a:14,17,19,28,30,31,34,&1:8,&2:18,c:26,t:22|" DJHCCTTVDRAMEH-FQEREKBASA-N BRD-A84907376-300-03-8 alcuronium 0 89.64 Prestwick Prestw-1036 Alcuronium chloride 666.393 "OC\C=C1/C[N@+]2(CC=C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@@H]5\C(=C/N([C@@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N@@+]3(CC=C)C\C1=C/CO)c1ccccc21 |a:5,11,12,14,29,31,32,35,&1:18,&2:22,c:21,t:17,TLB:2:3:13:11.15.22,20:19:30:35.39.40,10:11:3.4.5:13,41:40:30:18.19.32,28:11:3.4.5:13,THB:34:35:30:18.19.32,16:15:3.4.5:13,33:32:30:35.39.40,36:35:30:18.19.32,6:5:13:11.15.22,9:5:13:11.15.22,44:32:30:35.39.40|" MUQUYTSLDVKIOF-JGNNFNAWSA-N BRD-K06890060-001-09-1 alda-1 0 96.06 Tocris 4005 Alda 1 323.012 Clc1cccc(Cl)c1C(=O)NCc1ccc2OCOc2c1 NMKJFZCBCIUYHI-UHFFFAOYSA-N 831629 BRD-K06890060-001-10-9 alda-1 0 97.13 Tocris 4005 Alda 1 323.012 Clc1cccc(Cl)c1C(=O)NCc1ccc2OCOc2c1 NMKJFZCBCIUYHI-UHFFFAOYSA-N 831629 BRD-K68928792-001-03-2 aldoxorubicin 0 55.08 MedChemEx HY-16261 INNO-206 750.275 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O |c:55| OBMJQRLIQQTJLR-USGQOSEYSA-N 9810709 BRD-K68928792-001-02-4 aldoxorubicin 0 6.19 MedChemEx HY-16261 INNO-206 750.275 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O |c:55| OBMJQRLIQQTJLR-USGQOSEYSA-N 9810709 BRD-K68928792-001-01-6 aldoxorubicin 0 14.25 MedChemEx HY-16261 INNO-206 750.275 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O |c:55| OBMJQRLIQQTJLR-USGQOSEYSA-N 9810709 BRD-K11267252-001-06-9 alectinib 0 98.17 Selleck S2762 alectinib 482.268 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 KDGFLJKFZUIJMX-UHFFFAOYSA-N 49806720 BRD-K11267252-001-04-4 alectinib 0 92.4 Selleck S2762 Alectinib (CH5424802) 482.268 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 KDGFLJKFZUIJMX-UHFFFAOYSA-N 49806720 BRD-K75527158-360-05-6 alendronate 1 0 MicroSource 1505166 ALENDRONATE SODIUM 249.017 NCCCC(O)(P(O)(O)=O)P(O)(O)=O OGSPWJRAVKPPFI-UHFFFAOYSA-N 44400013 BRD-K75527158-360-06-4 alendronate 1 0 Selleck S1624 Alendronate (Fosamax) 249.017 NCCCC(O)(P(O)(O)=O)P(O)(O)=O OGSPWJRAVKPPFI-UHFFFAOYSA-N 44400013 BRD-K75527158-360-04-9 alendronate 1 0 Selleck S1624 Alendronate (Fosamax) 249.017 NCCCC(O)(P(O)(O)=O)P(O)(O)=O OGSPWJRAVKPPFI-UHFFFAOYSA-N 44400013 BRD-K75527158-360-07-2 alendronate 1 0 Selleck S1624 Alendronate (Fosamax) 249.017 NCCCC(O)(P(O)(O)=O)P(O)(O)=O OGSPWJRAVKPPFI-UHFFFAOYSA-N 44400013 BRD-A42335949-300-10-6 alexidine 0 91.99 Selleck S4302 Alexidine HCl 508.469 "CCCC[C@H](CC)CNC(=N)N=C(N)NCCCCCCNC(N)=NC(=N)NC[C@H](CC)CCCC |&1:29,&2:4,&3:11,&4:24,w:11.10,24.24|" LFVVNPBBFUSSHL-SZPZYZBQSA-N 40488318 BRD-A42335949-300-09-8 alexidine 0 90.98 Selleck S4302 Alexidine HCl 508.469 "CCCC[C@H](CC)CNC(=N)N=C(N)NCCCCCCNC(N)=NC(=N)NC[C@H](CC)CCCC |&1:29,&2:4,&3:11,&4:24,w:11.10,24.24|" LFVVNPBBFUSSHL-SZPZYZBQSA-N 40488318 BRD-K49522529-001-02-9 alfacalcidol 0 85.72 Selleck S1468 Alfacalcidol 400.334 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C OFHCOWSQAMBJIW-AVJTYSNKSA-N 5282181 BRD-K92644009-001-02-6 BRD-K49522529-001-01-1 alfacalcidol 0 91.26 MedChemEx HY-10003 Alfacalcidol 400.334 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C OFHCOWSQAMBJIW-AVJTYSNKSA-N 5282181 BRD-K49522529-001-03-7 alfacalcidol 0 80.48 Selleck S1468 Alfacalcidol 400.334 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C OFHCOWSQAMBJIW-AVJTYSNKSA-N 5282181 BRD-K84280765-001-01-5 BRD-K51751936-001-09-1 alfadolone-acetate 0 100 Prestwick Prestw-1001 Alfadolone acetate 390.241 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C QRJOQYLXZPQQMX-FWROMSNXSA-N 24733 BRD-K01826519-003-08-9 alfuzosin 0 70.49 MicroSource 1505263 ALFUZOSIN HYDROCHLORIDE 425.183 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)[C@H]1CCCO1 |&1:23| WNMJYKCGWZFFKR-CQSZACIVSA-N 37888195 BRD-K01826519-003-07-9 alfuzosin 0 93.3 Selleck S1409 Alfuzosin HCl 425.183 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)[C@H]1CCCO1 |&1:23| WNMJYKCGWZFFKR-CQSZACIVSA-N 37888195 BRD-K00005348-001-01-9 algestone-acetophenide 0 93.41 Toronto a532040 algestone acetophenide 448.261 CC(=O)[C@@]12O[C@@](C)(O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C)c1ccccc1 |t:15| AHBKIEXBQNRDNL-FVCOMRFXSA-N 5284538 BRD-K60102752-001-02-2 alibendol 0 97.28 Selleck S1928 Alibendol 251.116 COc1cc(CC=C)cc(C(=O)NCCO)c1O UMJHTFHIQDEGKB-UHFFFAOYSA-N 71916 BRD-K01827280-046-12-9 alimemazine 0 0 Sigma MFCD00242594 298.15 C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc12 |&3:1| ZZHLYYDVIOPZBE-AWEZNQCLSA-N 6604496 BRD-K01827280-046-11-9 alimemazine 0 92.88 MedChemEx HY-12752A Alimemazine hemitartrate 298.15 C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc12 |&3:1| ZZHLYYDVIOPZBE-AWEZNQCLSA-N 6604496 BRD-K01827280-045-07-9 alimemazine 0 80.57 MicroSource 1500593 TRIMEPRAZINE TARTRATE 448.167 C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc12 |&3:1| ZZHLYYDVIOPZBE-AWEZNQCLSA-N 6604496 BRD-K00004709-001-01-9 alinidine 0 86.45 AMS Q69674 "N-allyl-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine" 269.049 Clc1cccc(Cl)c1N(CC=C)C1=NCCN1 |t:13| OXTYVEUAQHPPMV-UHFFFAOYSA-N 36354 BRD-K75295174-001-05-0 alisertib 0 98.27 Selleck S1133 Alisertib (MLN8237) 518.116 COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| ZLHFILGSQDJULK-UHFFFAOYSA-N 24771867 BRD-K75295174-001-01-9 alisertib 0 Selleck S1133 MLN8237 518.116 COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| "InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)" 24771867 BRD-K30020243-051-04-1 aliskiren-hemifumarate 0 84 Tocris 5491 Aliskiren hemifumarate 551.393 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC UXOWGYHJODZGMF-QORCZRPOSA-N 5493444 BRD-M18497616-051-03-6 BRD-K30020243-051-05-9 aliskiren-hemifumarate 0 100 Tocris 5491 Aliskiren hemifumarate 551.393 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC UXOWGYHJODZGMF-QORCZRPOSA-N 5493444 BRD-K30020243-051-02-5 aliskiren-hemifumarate 0 95.42 MicroSource 1505710 ALISKIREN HEMIFUMARATE 551.393 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC UXOWGYHJODZGMF-QORCZRPOSA-N 5493444 BRD-K30020243-051-03-3 aliskiren-hemifumarate 0 90.97 Selleck S2199 Aliskiren Hemifumarate 551.393 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC UXOWGYHJODZGMF-QORCZRPOSA-N 5493444 BRD-K30020243-001-01-2|BRD-K30020243-001-01-2|BRD-K30020243-001-01-2|BRD-K30020243-001-01-2 BRD-K00003135-001-01-9 alisporivir 0 91.48 MedChemEx HY-12559 Alisporivir 1215.857 [H][C@]1(C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C OLROWHGDTNFZBH-XEMWPYQTSA-N 11513676 BRD-K00003607-003-01-9 alizapride 0 97.78 MedChemEx HY-A0125A Alizapride hydrochloride 315.17 "COc1cc2[nH]nnc2cc1C(=O)NC[C@H]1CCCN1CC=C |&1:15,r|" KSEYRUGYKHXGFW-LLVKDONJSA-N 25323018 BRD-K73191876-001-12-0 alizarin 0 92.04 Selleck S2526 Alizarin 240.042 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O RGCKGOZRHPZPFP-UHFFFAOYSA-N 6293 BRD-K73191876-001-11-2 alizarin 0 79.05 Selleck S2526 Alizarin 240.042 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O RGCKGOZRHPZPFP-UHFFFAOYSA-N 6293 BRD-K73191876-001-13-8 alizarin 0 88.98 Selleck S2526 ALIZARIN 240.042 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O RGCKGOZRHPZPFP-UHFFFAOYSA-N 6293 BRD-A96407378-001-15-1 allantoin 0 97.81 MicroSource 1500801 ALLANTOIN 158.044 NC(=O)N[C@H]1NC(=O)NC1=O |r| POJWUDADGALRAB-SFOWXEAESA-N 439714 BRD-A60402836-001-01-0 allicin 1 0 AKSci P489 162.017 "C=CCS[S@@](=O)CC=C |&1:4,r|" JDLKFOPOAOFWQN-SECBINFHSA-N 51399529 BRD-K86307448-001-17-5 allopurinol 0 89.11 MicroSource 1500108 ALLOPURINOL 136.039 O=c1nc[nH]c2n[nH]cc12 OFCNXPDARWKPPY-UHFFFAOYSA-N 135401907 BRD-K86307448-001-19-1 allopurinol 0 100 Selleck S1630 Allopurinol (Zyloprim) 136.039 O=c1nc[nH]c2n[nH]cc12 OFCNXPDARWKPPY-UHFFFAOYSA-N 135401907 BRD-K86307448-001-16-7 allopurinol 0 85.21 Selleck S1630 Allopurinol 136.039 O=c1nc[nH]c2n[nH]cc12 OFCNXPDARWKPPY-UHFFFAOYSA-N 135401907 BRD-K00004728-001-01-9 allopurinol-riboside 0 100 MedChemEx HY-101397 Allopurinol riboside 268.081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(O)ncnc12 KFQUAMTWOJHPEJ-DAGMQNCNSA-N 135407110 BRD-A93407926-001-01-1 allopurinol-riboside 0 100 Berry PRA 10011 268.081 "OC[C@H]1O[C@H]([C@@H](O)[C@H]1O)n1ncc2c1[nH]cnc2=O |a:2,4,7,&1:5|" KFQUAMTWOJHPEJ-NBBQQVJHSA-N BRD-K12872829-001-01-0 allylestrenol 0 0 ChemImpex 28191 (17beta)-17-allylestr-4-en-17-ol 300.245 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C |t:8| ATXHVCQZZJYMCF-XUDSTZEESA-N 235905 BRD-K33219225-001-01-9 allylisothiocyanate 1 0 MicroSource 1506103 ALLYLISOTHIOCYANATE 99.014 C=CCN=C=S ZOJBYZNEUISWFT-UHFFFAOYSA-N 5971 BRD-K33219225-001-02-9 allylisothiocyanate 1 0 Labotest LTBB002332 3-isothiocyanato-1-propene 99.014 C=CCN=C=S ZOJBYZNEUISWFT-UHFFFAOYSA-N 5971 BRD-K89634775-001-10-9 allylthiourea 0 99.31 MedChemEx HY-B0543 Allylthiourea 116.041 NC(=S)NCC=C HTKFORQRBXIQHD-UHFFFAOYSA-N 1549517 BRD-K89634775-001-08-1 allylthiourea 0 96.5 Selleck S4017 Allylthiourea 116.041 NC(=S)NCC=C HTKFORQRBXIQHD-UHFFFAOYSA-N 1549517 BRD-K89634775-001-09-9 allylthiourea 0 99.28 MicroSource 1506125 ALLYLTHIOUREA 116.041 NC(=S)NCC=C HTKFORQRBXIQHD-UHFFFAOYSA-N 1549517 BRD-K82677201-001-01-6 almitrine 0 99.06 AKSci H525 477.245 Fc1ccc(cc1)C(N1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1 OBDOVFRMEYHSQB-UHFFFAOYSA-N 33887 BRD-K84810405-003-02-9 almorexant 0 97.62 MedChemEx HY-10805A Almorexant (hydrochloride) 512.229 CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 DKMACHNQISHMDN-RPLLCQBOSA-N 23727689 BRD-K84810405-003-01-1 almorexant 0 90.95 MedChemEx HY-10805A Almorexant (hydrochloride) 512.229 CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 DKMACHNQISHMDN-RPLLCQBOSA-N 23727689 BRD-K67601717-001-03-8 almotriptan 0 91.68 MicroSource 1505204 ALMOTRIPTAN 335.167 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 WKEMJKQOLOHJLZ-UHFFFAOYSA-N 123606 BRD-K67601717-037-02-4 almotriptan 0 93.42 Selleck S2096 Almotriptan Malate 335.167 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 WKEMJKQOLOHJLZ-UHFFFAOYSA-N 123606 BRD-K67601717-037-04-9 almotriptan 0 98.32 MedChemEx HY-B0383 Almotriptan (malate) 335.167 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 WKEMJKQOLOHJLZ-UHFFFAOYSA-N 123606 BRD-K04851519-001-06-8 aloe-emodin 0 94.34 Selleck S2259 Aloe-emodin 270.053 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 YDQWDHRMZQUTBA-UHFFFAOYSA-N 10207 BRD-K83003151-057-03-9 alogliptin 0 76.01 MedChemEx HY-A0023 Alogliptin (Benzoate) 339.17 Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O ZSBOMTDTBDDKMP-OAHLLOKOSA-N 11450633 BRD-K83003151-057-02-4 alogliptin 0 89.39 Selleck S2868 Alogliptin??SYR-322?? 339.17 Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O ZSBOMTDTBDDKMP-OAHLLOKOSA-N 11450633 BRD-K83003151-001-03-0|BRD-K83003151-001-03-0|BRD-K83003151-001-03-0 BRD-K83003151-057-01-6 alogliptin 0 93.62 Selleck S2868 Alogliptin 339.17 Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O ZSBOMTDTBDDKMP-OAHLLOKOSA-N 11450633 BRD-K83003151-001-02-2|BRD-K83003151-001-02-2|BRD-K83003151-001-02-2 BRD-K02074536-001-04-9 aloin 0 49.45 MedChemEx HY-N0123 Aloin 418.126 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 AFHJQYHRLPMKHU-OSYMLPPYSA-N 12305761 BRD-K02074536-001-01-9 aloin 0 0 MicroSource 1503427 ALOIN 418.126 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 AFHJQYHRLPMKHU-OSYMLPPYSA-N 12305761 BRD-K02074536-001-02-7 aloin 0 50.52 Selleck S2375 Aloin (Barbaloin) 418.126 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 AFHJQYHRLPMKHU-OSYMLPPYSA-N 12305761 BRD-A63615100-001-03-9 BRD-K02074536-001-03-5 aloin 0 0 Selleck S2375 Aloin 418.126 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 AFHJQYHRLPMKHU-OSYMLPPYSA-N 12305761 BRD-A63615100-001-02-1|BRD-A82191553-001-01-4 BRD-K96391852-001-02-8 aloperine 0 97.73 Selleck S2420 Aloperine 232.194 C1CCN2C[C@H]3C[C@H](C=C4CCCN[C@@H]34)[C@H]2C1 |t:8| SKOLRLSBMUGVOY-GBJTYRQASA-N 162147 BRD-K96391852-001-03-6 aloperine 0 100 Selleck S2420 Aloperine 232.194 C1CCN2C[C@H]3C[C@H](C=C4CCCN[C@@H]34)[C@H]2C1 |t:8| SKOLRLSBMUGVOY-GBJTYRQASA-N 162147 BRD-K46742498-003-12-9 alosetron 0 97.93 MedChemEx HY-70050C Alosetron (Hydrochloride) 294.148 Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C JSWZEAMFRNKZNL-UHFFFAOYSA-N 2099 BRD-K46742498-003-11-0 alosetron 0 99.02 Enzo AC3010 ALOSETRON HYDROCHLORIDE 294.148 Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C JSWZEAMFRNKZNL-UHFFFAOYSA-N 2099 BRD-K00004697-001-01-9 alovudine 0 94.48 CombiBlocks QC-5890 3'-Deoxy-3'-fluorothymidine 244.086 Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O UXCAQJAQSWSNPQ-XLPZGREQSA-N 33039 BRD-K91188791-001-15-9 aloxistatin 0 84.88 Adooq A13259 "ethyl (2S,3S)-3-[({(1S)-1-[(isopentylamino)carbonyl]-3-methylbutyl}amino)carbonyl]-2-oxiranecarboxylate" 342.215 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C SRVFFFJZQVENJC-IHRRRGAJSA-N 65663 BRD-K91188791-001-18-3 aloxistatin 0 78.35 Selleck S7393 Aloxistatin 342.215 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C SRVFFFJZQVENJC-IHRRRGAJSA-N 65663 BRD-A12987505-001-01-9 BRD-K91188791-001-17-5 aloxistatin 0 86.09 MedChemEx HY-100229 Aloxistatin 342.215 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C SRVFFFJZQVENJC-IHRRRGAJSA-N 65663 BRD-K91188791-001-14-2 aloxistatin 0 83.73 Selleck S7393 "E-64d(Aloxistatin,Loxistatin??" 342.215 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C SRVFFFJZQVENJC-IHRRRGAJSA-N 65663 BRD-K54997624-001-06-0 alpelisib 0 91.09 Selleck S2814 BYL719 441.145 Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F STUWGJZDJHPWGZ-LBPRGKRZSA-N 56649450 BRD-K72536715-001-01-5 alpha-asarone 0 94.23 Cayman 11681 alpha-Asarone 208.11 COc1cc(OC)c(\C=C\C)cc1OC RKFAZBXYICVSKP-AATRIKPKSA-N 636822 BRD-K87424134-001-01-0 alpha-D-glucopyranose 0 0 Sigma MFCD00081554 alpha-D-glucopyranose 180.063 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O WQZGKKKJIJFFOK-DVKNGEFBSA-N 79025 BRD-K00005238-001-01-9 alpha-glucosyl-hesperidin 0 76.75 ChemImpex 32412 alpha-Glucosyl hesperidin 772.243 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2O1 IMMBLRJLSYJQIZ-RBWYFKFWSA-N 53477097 BRD-K33396764-001-11-1 alpha-linolenic-acid 0 19.04 Sigma MFCD00065720 "(9Z,12Z,15Z)-9,12,15-octadecatrienoic acid" 278.225 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O DTOSIQBPPRVQHS-PDBXOOCHSA-N 5280934 BRD-K33396764-001-08-7 alpha-linolenic-acid 0 84.81 Enzo FA005 Linolenic acid (18:3 n-3) 278.225 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O DTOSIQBPPRVQHS-PDBXOOCHSA-N 5280934 BRD-K80028314-303-08-9 alpha-methylhistamine-dihydrobromide-(R)-(-) 0 100 Tocris 569 (R)-(-)-alpha-Methylhistamine dihydrobromide 125.095 C[C@@H](N)Cc1cnc[nH]1 XNQIOISZPFVUFG-RXMQYKEDSA-N 156615 BRD-K80028314-303-02-6 alpha-methylhistamine-dihydrobromide-(R)-(-) 0 90.81 Tocris 569 (R)-(-)-?-Methylhistamine dihydrobromide 125.095 C[C@@H](N)Cc1cnc[nH]1 XNQIOISZPFVUFG-RXMQYKEDSA-N 156615 BRD-K28308851-303-02-9 alpha-methylhistamine-dihydrobromide-(S)-(+) 0 85.67 Tocris 572 (S)-(+)-alpha-Methylhistamine dihydrobromide 125.095 C[C@H](N)Cc1cnc[nH]1 XNQIOISZPFVUFG-YFKPBYRVSA-N 6603865 BRD-K28308851-303-01-8 alpha-methylhistamine-dihydrobromide-(S)-(+) 0 91.26 Tocris 572 (S)-(+)-?-Methylhistamine dihydrobromide 125.095 C[C@H](N)Cc1cnc[nH]1 XNQIOISZPFVUFG-YFKPBYRVSA-N 6603865 BRD-K01826806-050-02-9 alpha-methylserotonin 0 95.4 Tocris 557 alpha-Methyl-5-hydroxytryptamine maleate 190.111 C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |&1:1| LYPCGXKCQDYTFV-SSDOTTSWSA-N 14083218 BRD-A82892199-001-04-1 alpha-tochopherol 0 65.25 MicroSource 310039 alpha-TOCHOPHEROL [4 mM] 430.381 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |&1:6,&2:11,&3:16,r|" GVJHHUAWPYXKBD-QLVXXPONSA-N 1548900 BRD-A82892199-001-05-9 alpha-tochopherol 0 0 Sigma T3251 (+/-)-alpha-Tocopherol 430.381 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |&1:6,&2:11,&3:16,r|" GVJHHUAWPYXKBD-QLVXXPONSA-N 1548900 BRD-A61850409-001-10-7 alpha-tochopheryl-acetate 0 93.36 MicroSource 310040 alpha-TOCHOPHERYL ACETATE [4mM] 472.392 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1 |&1:6,&2:11,&3:16,r|" ZAKOWWREFLAJOT-PKIAKLFDSA-N 9804881 BRD-K66896751-001-02-4 alpidem 0 98.59 Sigma A1862 "2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide" 403.122 CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 JRTIDHTUMYMPRU-UHFFFAOYSA-N 54897 BRD-K01825817-003-02-9 alprenolol 0 94.74 Tocris 2806 Alprenolol hydrochloride 249.173 "CC(C)NC[C@@H](O)COc1ccccc1CC=C |&1:5,r|" PAZJSJFMUHDSTF-CQSZACIVSA-N 203685 BRD-K52459643-001-15-1 alprostadil 0 100 Tocris 1620 Alprostadil 354.241 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O GMVPRGQOIOIIMI-DWKJAMRDSA-N 5280723 BRD-K52459643-001-18-9 alprostadil 0 96.2 Tocris 1620 Alprostadil 354.241 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O GMVPRGQOIOIIMI-DWKJAMRDSA-N 5280723 BRD-K52459643-001-17-7 alprostadil 0 100 Selleck S1508 Alprostadil 354.241 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O GMVPRGQOIOIIMI-DWKJAMRDSA-N 5280723 BRD-K73691377-001-01-6 BRD-K35498378-001-07-9 alrestatin 0 91.02 MicroSource 1502053 ALRESTATIN 255.053 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 GCUCIFQCGJIRNT-UHFFFAOYSA-N 2120 BRD-K35498378-001-08-9 alrestatin 0 95.6 Tocris 485 Alrestatin 255.053 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 GCUCIFQCGJIRNT-UHFFFAOYSA-N 2120 BRD-K35498378-001-06-1 alrestatin 0 98.57 Tocris 485 Alrestatin 255.053 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 GCUCIFQCGJIRNT-UHFFFAOYSA-N 2120 BRD-K21415491-001-01-4 ALS-8112 0 95.6 MedChemEx HY-12983 ALS-8176 (active form) 293.058 Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)n1 AWSRKKBIPSQHOJ-IBCQBUCCSA-N 71621663 BRD-K00004605-001-01-9 ALS-8176 0 92.76 MedChemEx HY-12983A Lumicaitabine 433.142 CC(C)C(=O)OC[C@@]1(CCl)O[C@H]([C@H](F)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O MJVKYGMNSQJLIN-KYZVSKTDSA-N 89658382 BRD-K00610438-003-03-3 altanserin 0 96.63 Tocris 1809 Altanserin hydrochloride 411.142 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 SMYALUSCZJXWHG-UHFFFAOYSA-N 3033677 BRD-K00610438-003-06-9 altanserin 0 96.97 Tocris 1809 Altanserin hydrochloride 411.142 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 SMYALUSCZJXWHG-UHFFFAOYSA-N 3033677 BRD-K00610438-003-02-5 altanserin 0 97.52 Tocris 1809 Altanserin hydrochloride 411.142 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 SMYALUSCZJXWHG-UHFFFAOYSA-N 3033677 BRD-A56675431-001-13-9 althiazide 0 97.12 Sigma Y0000606 Altizide 382.983 "NS(=O)(=O)c1cc2c(N[C@@H](CSCC=C)NS2(=O)=O)cc1Cl |&1:9,r|" VGLGVJVUHYTIIU-LLVKDONJSA-N 6604323 BRD-A56675431-001-12-3 althiazide 0 99.56 MicroSource 1500804 ALTHIAZIDE 382.983 "NS(=O)(=O)c1cc2c(N[C@@H](CSCC=C)NS2(=O)=O)cc1Cl |&1:9,r|" VGLGVJVUHYTIIU-LLVKDONJSA-N 6604323 BRD-K52681925-050-02-9 altinicline 0 93.05 Tocris 4766 SIB 1508Y maleate 186.116 CN1CCC[C@H]1c1cncc(c1)C#C NUPUDYKEEJNZRG-LBPRGKRZSA-N 3036156 BRD-K52681925-050-01-6 altinicline 0 95.59 Tocris 4766 (S)-3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine maleate 186.116 CN1CCC[C@H]1c1cncc(c1)C#C NUPUDYKEEJNZRG-LBPRGKRZSA-N 3036156 BRD-K78627070-001-01-5 altiratinib 0 93.9 MedChemEx HY-B0791 Altiratinib 510.151 Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1 GNNDEPIMDAZHRQ-UHFFFAOYSA-N 54576299 BRD-K50276048-001-02-9 altrenogest 0 84.93 MedChemEx HY-B0521 Altrenogest 310.193 "C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C |c:2,4,10|" VWAUPFMBXBWEQY-ANULTFPQSA-N 10041070 BRD-K67043667-001-26-4 altretamine 0 99.9 MicroSource 1503065 ALTRETAMINE 210.159 CN(C)c1nc(nc(n1)N(C)C)N(C)C UUVWYPNAQBNQJQ-UHFFFAOYSA-N 2123 BRD-K67043667-001-25-6 altretamine 0 95.52 Selleck S1278 Altretamine 210.159 CN(C)c1nc(nc(n1)N(C)C)N(C)C UUVWYPNAQBNQJQ-UHFFFAOYSA-N 2123 BRD-K89055274-048-23-5 alverine 0 90.26 MicroSource 1500109 ALVERINE CITRATE 281.214 CCN(CCCc1ccccc1)CCCc1ccccc1 ZPFXAOWNKLFJDN-UHFFFAOYSA-N 3678 BRD-K89055274-048-24-9 alverine 0 91.76 MedChemEx HY-B0500 Alverine (citrate) 281.214 CCN(CCCc1ccccc1)CCCc1ccccc1 ZPFXAOWNKLFJDN-UHFFFAOYSA-N 3678 BRD-K89055274-048-22-7 alverine 0 94.35 Selleck S3054 Alverine Citrate 281.214 CCN(CCCc1ccccc1)CCCc1ccccc1 ZPFXAOWNKLFJDN-UHFFFAOYSA-N 3678 BRD-K83988098-003-03-4 alvespimycin 0 96.5 Selleck S1142 17-DMAG HCl (Alvespimycin) 616.347 "CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,25,t:17,23,36|" KUFRQPKVAWMTJO-UBNVGODQSA-N 59996481 BRD-K83988098-001-02-0 alvespimycin 0 85.6 Selleck S1142 17-DMAG (Alvespimycin) HCl 616.347 "CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,25,t:17,23,36|" KUFRQPKVAWMTJO-UBNVGODQSA-N 59996481 BRD-K23499943-003-01-6 BRD-K83988098-003-07-9 alvespimycin 0 88.28 MedChemEx HY-12024 Alvespimycin (hydrochloride) 616.347 "CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,25,t:17,23,36|" KUFRQPKVAWMTJO-UBNVGODQSA-N 59996481 BRD-K07857022-002-02-9 alvimopan 0 97.29 MedChemEx HY-76657 Alvimopan (monohydrate) 424.236 C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1 UPNUIXSCZBYVBB-JVFUWBCBSA-N 5488548 BRD-K07857022-002-01-1 alvimopan 0 97.74 MedChemEx HY-76657 Alvimopan (monohydrate) 424.236 C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1 UPNUIXSCZBYVBB-JVFUWBCBSA-N 5488548 BRD-K87909389-003-09-9 alvocidib 0 93.54 Tocris 3094 Flavopiridol hydrochloride 401.103 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl BIIVYFLTOXDAOV-YVEFUNNKSA-N 5287969 BRD-K87909389-003-04-2 alvocidib 0 93.06 Tocris 3094 Flavopiridol hydrochloride 401.103 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl BIIVYFLTOXDAOV-YVEFUNNKSA-N 5287969 BRD-K87909389-003-03-4 alvocidib 0 96.3 Selleck S2679 Flavopiridol HCl 401.103 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl BIIVYFLTOXDAOV-YVEFUNNKSA-N 5287969 BRD-K00003337-019-01-9 ALX-40-4C 0 0 MedChemEx HY-P7061A ALX 40-4C Trifluoroacetate 1463.947 CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O LGLVVVCSQBZONM-HCCLCSBVSA-N 25077385 BRD-K53979406-003-03-6 ALX-5407 0 98.56 Tocris 1757 ALX 5407 hydrochloride 393.174 CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O FDORQEIHOKEJNX-HSZRJFAPSA-N 86306255 BRD-K53979406-003-04-9 ALX-5407 0 96.89 Tocris 1757 ALX 5407 hydrochloride 393.174 CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O FDORQEIHOKEJNX-HSZRJFAPSA-N 86306255 BRD-K53979406-003-02-8 ALX-5407 0 96.02 Tocris 1757 ALX 5407 hydrochloride 393.174 CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O FDORQEIHOKEJNX-HSZRJFAPSA-N 86306255 BRD-A66116161-001-02-3 AM-1241 0 94.55 Selleck S1544 AM1241 503.071 "CN1CCCC[C@@H]1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 |&1:6,r|" ZUHIXXCLLBMBDW-MRXNPFEDSA-N 23583507 BRD-A66116161-001-03-1 AM-1241 0 97.24 Selleck S1544 AM-1241 503.071 "CN1CCCC[C@@H]1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 |&1:6,r|" ZUHIXXCLLBMBDW-MRXNPFEDSA-N 23583507 BRD-K59013864-001-01-1 AM-24 0 99.73 Enamine EN300-19379 471.732 Oc1c(I)cc(I)cc1I VAPDZNUFNKUROY-UHFFFAOYSA-N 11862 BRD-K92000912-001-14-9 AM-251 0 98.46 Tocris 1117 AM 251 554.014 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 BUZAJRPLUGXRAB-UHFFFAOYSA-N 2125 BRD-K92000912-001-11-8 AM-251 0 92.46 Selleck S2819 AM251 554.014 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 BUZAJRPLUGXRAB-UHFFFAOYSA-N 2125 BRD-K92000912-001-12-6 AM-251 0 94.81 Tocris 1117 AM 251 554.014 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 BUZAJRPLUGXRAB-UHFFFAOYSA-N 2125 BRD-K59419204-001-03-9 AM-281 0 95.57 Tocris 1115 AM 281 555.993 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 AJFFBPZYXRNAIC-UHFFFAOYSA-N 4302962 BRD-K59419204-001-02-7 AM-281 0 95.08 Tocris 1115 AM 281 555.993 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 AJFFBPZYXRNAIC-UHFFFAOYSA-N 4302962 BRD-K55462201-001-08-9 AM-404 0 95.22 Tocris 1116 AM 404 395.282 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1 IJBZOOZRAXHERC-DOFZRALJSA-N 6604822 BRD-K55462201-001-07-3 AM-404 0 94.19 Tocris 1116 AM 404 395.282 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1 IJBZOOZRAXHERC-DOFZRALJSA-N 6604822 BRD-K06854232-001-22-3 AM-580 0 98.56 Tocris 760 AM 580 351.183 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O SZWKGOZKRMMLAJ-UHFFFAOYSA-N 2126 BRD-K06854232-001-19-9 AM-580 0 98.13 Tocris 760 AM 580 351.183 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O SZWKGOZKRMMLAJ-UHFFFAOYSA-N 2126 BRD-K63533170-001-03-7 AM-630 0 97.26 Tocris 1120 {6-iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}(4-methoxyphenyl)methanone 504.091 COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12 JHOTYHDSLIUKCJ-UHFFFAOYSA-N 4302963 BRD-K63533170-001-02-9 AM-630 0 94.94 Tocris 1120 AM 630 504.091 COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12 JHOTYHDSLIUKCJ-UHFFFAOYSA-N 4302963 BRD-K01826811-003-03-9 AM-92016 0 71.25 Tocris 876 AM 92016 hydrochloride 482.06 CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 |&1:13| BQBSHJUQVIWEFM-MRXNPFEDSA-N 6604771 BRD-K01826811-003-02-9 AM-92016 0 94.4 Tocris 876 AM 92016 hydrochloride 482.06 CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 |&1:13| BQBSHJUQVIWEFM-MRXNPFEDSA-N 6604771 BRD-K23952234-236-03-4 AM095 0 96.92 MedChemEx HY-16039 AM095 456.169 C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 LNDDRUPAICPXIN-GOSISDBHSA-N 46213949 BRD-K23952234-236-02-6 AM095 0 96.31 MedChemEx HY-16039 AM095 456.169 C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 LNDDRUPAICPXIN-GOSISDBHSA-N 46213949 BRD-K23952234-236-01-8 AM095 0 76.19 MedChemEx HY-16039 AM095 456.169 C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 LNDDRUPAICPXIN-GOSISDBHSA-N 46213949 BRD-K00003152-001-01-9 AM211 0 98.69 MedChemEx HY-13213 AM211 500.192 CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)NCc1ccccc1 OPXIRFWNLBDKQB-UHFFFAOYSA-N 44158492 BRD-K88443722-001-01-7 AM679 0 96.62 MedChemEx HY-14460 AM679 692.303 COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1 VYXWHVDEWWHDLH-LJAQVGFWSA-N 44627267 BRD-K70330367-003-08-7 amantadine 0 99.66 MicroSource 1500110 AMANTADINE HYDROCHLORIDE 151.136 NC12CC3CC(CC(C3)C1)C2 DKNWSYNQZKUICI-UHFFFAOYSA-N 2130 BRD-K70330367-003-07-9 amantadine 0 100 Selleck S2451 Amantadine HCl 151.136 NC12CC3CC(CC(C3)C1)C2 DKNWSYNQZKUICI-UHFFFAOYSA-N 2130 BRD-K11244467-002-01-8 ambazone 0 83.39 Kemprotec TC861 "(E)-2-((E)-4-(2-carbamimidoylhydrazono)cyclohexa-2,5-dien-1-ylidene)hydrazine-1-carbothioamide hydrate" 237.08 NC(=S)NNc1ccc(cc1)N=NC(N)=N HQDSAVMTLKVTGJ-UHFFFAOYSA-N BRD-K11244467-001-09-3 ambazone 0 84 Vitas-M STL200147 "2-{4-[(aminocarbothioyl)hydrazono]-2,5-cyclohexadien-1-ylidene}hydrazinecarboximidamide" 237.08 NC(=S)NNc1ccc(cc1)N=NC(N)=N HQDSAVMTLKVTGJ-UHFFFAOYSA-N BRD-K11244467-001-08-5 ambazone 0 82.4 Vitas-M STL200147 237.08 NC(=S)NNc1ccc(cc1)N=NC(N)=N HQDSAVMTLKVTGJ-UHFFFAOYSA-N BRD-K11292736-300-02-8 ambenonium 0 93.62 Tocris 388 Ambenonium dichloride 536.268 CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl OMHBPUNFVFNHJK-UHFFFAOYSA-P 2131 BRD-K11292736-300-04-9 ambenonium 0 93.49 Tocris 388 Ambenonium dichloride 536.268 CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl OMHBPUNFVFNHJK-UHFFFAOYSA-P 2131 BRD-K41185545-001-03-9 ambrisentan 0 96.82 MedChemEx HY-13209 Ambrisentan 378.158 COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1 OUJTZYPIHDYQMC-LJQANCHMSA-N 6918493 BRD-K41185545-001-02-3 ambrisentan 0 97.47 Selleck S2097 Ambrisentan 378.158 COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1 OUJTZYPIHDYQMC-LJQANCHMSA-N 6918493 BRD-K56558538-003-14-3 ambroxol 0 96.02 MicroSource 1503080 AMBROXOL HYDROCHLORIDE 375.979 Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |r| JBDGDEWWOUBZPM-XYPYZODXSA-N BRD-K11223672-003-05-2 BRD-K56558538-003-13-5 ambroxol 0 81.4 Tocris 2404 Ambroxol hydrochloride 375.979 Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |r| JBDGDEWWOUBZPM-XYPYZODXSA-N BRD-K56558538-003-12-7 ambroxol 0 96.34 Tocris 2404 Ambroxol hydrochloride 375.979 Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |r| JBDGDEWWOUBZPM-XYPYZODXSA-N BRD-K56558538-003-15-9 ambroxol 0 97.58 Tocris 2404 Ambroxol hydrochloride 375.979 Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |r| JBDGDEWWOUBZPM-XYPYZODXSA-N BRD-K56558538-003-11-9 ambroxol 0 97.34 Selleck S3064 Ambroxol HCl 375.979 Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |r| JBDGDEWWOUBZPM-XYPYZODXSA-N BRD-K00003244-001-01-9 amcasertib 0 89.6 MedChemEx HY-17602 Amcasertib 539.235 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2\C(=O)Nc3ccc(cc23)-c2csc(n2)-c2ccccc2)c1C QDWKGEFGLQMDAM-JJIBRWJFSA-N 122412734 BRD-A36010170-001-04-0 amcinonide 0 96.95 MicroSource 1503816 AMCINONIDE 502.237 "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |a:7,15,27,29,31,34,&1:17,&2:18,c:27,t:23|" ILKJAFIWWBXGDU-KNPIAJNZSA-N 40469418 BRD-K03019184-439-01-0 AMD-3465 0 65.06 Tocris 4179 AMD 3465 hexahydrobromide 410.316 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 CWJJHESJXJQCJA-UHFFFAOYSA-N 483559 BRD-K03019184-439-02-9 AMD-3465 0 100 Tocris 4179 AMD 3465 hexahydrobromide 410.316 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 CWJJHESJXJQCJA-UHFFFAOYSA-N 483559 BRD-K42948882-305-02-9 AMD11070 0 94.61 MedChemEx HY-50101A Mavorixafor (trihydrochloride) 349.227 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 WVLHHLRVNDMIAR-IBGZPJMESA-N 11256587 BRD-K42948882-305-01-1 AMD11070 0 92.59 MedChemEx HY-50101A AMD-070 (hydrochloride) 349.227 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 WVLHHLRVNDMIAR-IBGZPJMESA-N 11256587 BRD-K41051431-001-02-4 amdinocillin 0 61.16 Sigma MFCD00056869 "(2S,5R,6R)-6-{[(E)-1-azepanylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" 325.146 CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(O)=O BWWVAEOLVKTZFQ-ISVUSNJMSA-N BRD-K41051431-001-03-9 amdinocillin 0 56.73 Sigma MFCD00056869 Mecillinam 325.146 CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(O)=O BWWVAEOLVKTZFQ-ISVUSNJMSA-N BRD-K48173020-001-02-9 ameltolide 0 94.88 Vitas-M STK360030 "4-amino-N-(2,6-dimethylphenyl)benzamide" 240.126 Cc1cccc(C)c1NC(=O)c1ccc(N)cc1 HZIWGOAXOBPQGY-UHFFFAOYSA-N 13086 BRD-K48173020-001-01-8 ameltolide 0 98.29 Vitas-M STK360030 240.126 Cc1cccc(C)c1NC(=O)c1ccc(N)cc1 HZIWGOAXOBPQGY-UHFFFAOYSA-N 13086 BRD-K00004966-001-01-9 amenamevir 0 87.31 MedChemEx HY-14809 Amenamevir 482.162 Cc1cccc(C)c1N(CC(=O)Nc1ccc(cc1)-c1ncon1)C(=O)C1CCS(=O)(=O)CC1 MNHNIVNAFBSLLX-UHFFFAOYSA-N 11397521 BRD-K00004726-001-01-9 ametantrone 0 87.98 Astatech I11677 AMETANTRONE(NSC 196473) 412.211 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12 FFGSXKJJVBXWCY-UHFFFAOYSA-N 2134 BRD-K51387999-067-01-6 amezinium 0 74.42 CombiBlocks QH-7299 4-amino-6-methoxy-1-phenylpyridazin-1-ium methyl sulfate 202.098 COc1cc(N)cn[n+]1-c1ccccc1 VXROHTDSRBRJLN-UHFFFAOYSA-O 71927 BRD-K82122102-323-01-1 amfenac 0 96.17 Selleck S4149 Amfenac Sodium Monohydrate 255.09 Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1 SOYCMDCMZDHQFP-UHFFFAOYSA-N 2136 BRD-K82122102-323-02-9 amfenac 0 94.65 MedChemEx HY-17479A Amfenac Sodium Hydrate 255.09 Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1 SOYCMDCMZDHQFP-UHFFFAOYSA-N 2136 BRD-K50813454-001-01-9 amflutizole 0 96.22 Enamine Z2327605029 4-amino-3-[3-(trifluoromethyl)phenyl]-5-isothiazolecarboxylic acid 288.018 Nc1c(snc1-c1cccc(c1)C(F)(F)F)C(O)=O KVMCEGAWQYTFKC-UHFFFAOYSA-N 54833 BRD-K43900408-001-02-9 AMG-176 0 96.01 Broad Institute HY-101565 AMG-176 612.242 CO[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |t:3| JQNINBDKGLWYMU-PTJFNUENSA-N BRD-K32285926-001-02-1 AMG-208 0 99.83 MedChemEx HY-12035 AMG-208 383.138 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 HEAIZQNMNCHNFD-UHFFFAOYSA-N 24864821 BRD-K32285926-001-03-9 AMG-208 0 97.2 MedChemEx HY-12035 AMG-208 383.138 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 HEAIZQNMNCHNFD-UHFFFAOYSA-N 24864821 BRD-K64925568-001-01-8 AMG-232 0 98.92 MedChemEx HY-12296 AMG 232 567.161 CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 DRLCSJFKKILATL-YWCVFVGNSA-N 58573469 BRD-K64925568-001-02-6 AMG-232 0 98.34 MedChemEx HY-12296 AMG 232 567.161 CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 DRLCSJFKKILATL-YWCVFVGNSA-N 58573469 BRD-K21077415-001-01-5 AMG-319 0 98.62 MedChemEx HY-12948 385.145 C[C@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1 KWRYMZHCQIOOEB-LBPRGKRZSA-N 68947304 BRD-K27061362-001-01-6 AMG-337 0 97.7 MedChemEx HY-18696 AMG-337 463.177 COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(cn34)-c3cnn(C)c3)c(=O)c2c1 DWHXUGDWKAIASB-CQSZACIVSA-N 44181686 BRD-K90239174-001-01-8 AMG-487 0 98.21 MedChemEx HY-15319 AMG 487 603.209 CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 WQTKNBPCJKRYPA-OAQYLSRUSA-N 24957182 BRD-K90239174-001-02-9 AMG-487 0 97.35 MedChemEx HY-15319 AMG 487 603.209 CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 WQTKNBPCJKRYPA-OAQYLSRUSA-N 24957182 BRD-A01307728-001-02-9 AMG-487-(+/-) 0 97.24 Tocris 4487 (+/-)-AMG 487 603.209 "CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |&1:20,r|" WQTKNBPCJKRYPA-OAQYLSRUSA-N 24957182 BRD-A01307728-001-01-4 AMG-487-(+/-) 0 97.4 Tocris 4487 (+/-)-AMG 487 603.209 "CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |&1:20,r|" WQTKNBPCJKRYPA-OAQYLSRUSA-N 24957182 BRD-K00010385-001-01-9 AMG-510 0 99.17 MedChemEx HY-114277 AMG-510 560.235 CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F NXQKSXLFSAEQCZ-SFHVURJKSA-N 137278711 BRD-K34185671-001-03-9 AMG-517 0 97.41 Tocris 5995 AMG 517 430.071 CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 YUTIXVXZQIQWGY-UHFFFAOYSA-N 16007367 BRD-K34185671-001-02-8 AMG-517 0 98.16 Selleck S7115 AMG-517 430.071 CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 YUTIXVXZQIQWGY-UHFFFAOYSA-N 16007367 BRD-K86673452-001-01-7 AMG-548 0 87.61 Tocris 3920 (S)-2-((2-amino-3-phenylpropyl)amino)-3-methyl-5-(naphthalen-2-yl)-6-(pyridin-4-yl)pyrimidin-4(3H)-one 461.222 Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O RQVKVJIRFKVPBF-VWLOTQADSA-N 11167112 BRD-K86673452-001-02-5 AMG-548 0 87.4 Tocris 3920 AMG 548 461.222 Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O RQVKVJIRFKVPBF-VWLOTQADSA-N 11167112 BRD-K43802723-238-02-9 AMG-837 0 95.82 Tocris 6082 AMG 837 hemicalcium salt 438.144 CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 ZOPNBMMVVZRSGH-NRFANRHFSA-N 46854655 BRD-K43802723-340-01-9 AMG-837 0 97.49 MedChemEx HY-13967B AMG 837 (calcium hydrate) 438.144 CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 ZOPNBMMVVZRSGH-NRFANRHFSA-N 46854655 BRD-M56591481-002-01-8 BRD-K97452254-001-01-3 AMG-925 0 94.57 MedChemEx HY-15889 AMG 925 471.238 C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r| BBUVDDPUURMFOX-SAABIXHNSA-N BRD-K01995783-001-02-4 AMG-9810 0 94.56 Tocris 2316 AMG 9810 337.168 CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 GZTFUVZVLYUPRG-IZZDOVSWSA-N 680502 BRD-K01995783-001-01-6 AMG-9810 0 98.34 Tocris 2316 AMG 9810 337.168 CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 GZTFUVZVLYUPRG-IZZDOVSWSA-N 680502 BRD-K01995783-001-03-9 AMG-9810 0 94.41 Tocris 2316 AMG 9810 337.168 CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 GZTFUVZVLYUPRG-IZZDOVSWSA-N 680502 BRD-K04374714-003-02-9 AMG-PERK-44 0 96.83 Tocris 5517 AMG PERK 44 524.221 Cc1ccc2cc(ccc2n1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N YPPSMYLMSKHYAY-UHFFFAOYSA-N 86583045 BRD-K04374714-003-01-1 AMG-PERK-44 0 97.69 Tocris 5517 AMG PERK 44 524.221 Cc1ccc2cc(ccc2n1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N YPPSMYLMSKHYAY-UHFFFAOYSA-N 86583045 BRD-A58947127-001-01-6 AMG319 0 99.26 Selleck S7813 AMG319 385.145 "C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1 |&1:1,r|" KWRYMZHCQIOOEB-GFCCVEGCSA-N 133547162 BRD-K21782625-001-02-4 AMG458 0 87.29 Selleck S2747 AMG-458 539.217 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 GLBZSOQDAOLMGC-UHFFFAOYSA-N 24764449 BRD-K21782625-001-03-2 AMG458 0 93.71 Selleck S2747 AMG458 539.217 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 GLBZSOQDAOLMGC-UHFFFAOYSA-N 24764449 BRD-K21782625-001-04-0 AMG458 0 96.9 Selleck S2747 AMG458 539.217 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 GLBZSOQDAOLMGC-UHFFFAOYSA-N 24764449 BRD-K21728777-001-03-9 AMG900 0 96.52 MedChemEx HY-13253 AMG 900 503.153 Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12 IVUGFMLRJOCGAS-UHFFFAOYSA-N 24856041 BRD-K21728777-001-02-3 AMG900 0 92.63 Selleck S2719 AMG-900 503.153 Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12 IVUGFMLRJOCGAS-UHFFFAOYSA-N 24856041 BRD-K75114721-304-02-6 AMI-1 0 83.1 ChemBridge FT47-8059 AMI-1 504.03 Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O PCGISRHGYLRXSR-UHFFFAOYSA-N 67254 BRD-K24610819-003-02-6 amibegron 0 90.69 Tocris 3986 SR 58611A 403.155 CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 RDJQCOBTKKAQAH-FPOVZHCZSA-N 3035442 BRD-K24610819-003-01-8 amibegron 0 97.85 Sigma MFCD00886563 "ethyl [((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]acetate hydrochloride" 403.155 CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 RDJQCOBTKKAQAH-FPOVZHCZSA-N 3035442 BRD-K12568846-001-17-9 amidopyrine 0 95.76 MedChemEx HY-B0533 Amidopyrine 231.137 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O RMMXTBMQSGEXHJ-UHFFFAOYSA-N 6009 BRD-K12568846-001-15-3 amidopyrine 0 0 MicroSource 1500621 AMINOPYRINE 231.137 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O RMMXTBMQSGEXHJ-UHFFFAOYSA-N 6009 BRD-K12568846-001-14-6 amidopyrine 0 86.35 Selleck S3209 Amidopyrine 231.137 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O RMMXTBMQSGEXHJ-UHFFFAOYSA-N 6009 BRD-K12568846-001-16-1 amidopyrine 0 94.77 Selleck S3209 Amidopyrine 231.137 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O RMMXTBMQSGEXHJ-UHFFFAOYSA-N 6009 BRD-K80262108-001-07-0 amifampridine 0 89.6 MedChemEx HY-14946 Amifampridine 109.064 Nc1ccncc1N OYTKINVCDFNREN-UHFFFAOYSA-N 5918 BRD-K80262108-001-08-9 amifampridine 0 100 MedChemEx HY-14946 "Pyridine-3,4-diamine" 109.064 Nc1ccncc1N OYTKINVCDFNREN-UHFFFAOYSA-N 5918 BRD-A19401019-001-01-3 amiflamine 0 69.64 Enamine Z2327040082 "N-[4-(2-aminopropyl)-3-methylphenyl]-N,N-dimethylamine" 192.163 "C[C@@H](N)Cc1ccc(cc1C)N(C)C |&1:1,r|" HFQMYSHATTXRTC-SNVBAGLBSA-N 6336525 BRD-K73947551-001-04-4 amifostine 1 0 MicroSource 1503081 AMIFOSTINE 214.054 NCCCNCCSP(O)(O)=O JKOQGQFVAUAYPM-UHFFFAOYSA-N 29927142 BRD-K88043978-002-08-9 amikacin 0 100 MicroSource 1500111 AMIKACIN HYDRATE 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-K88043978-002-09-7 amikacin 0 11.49 Selleck S3122 Amikacin hydrate 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-U46375448-000-01-5 BRD-K88043978-315-02-8 amikacin 0 0 Selleck S3065 Amikacin sulfate 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-K88043978-315-11-9 amikacin 0 0 MedChemEx HY-B0509B Amikacin (sulfate) 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-K88043978-315-03-6 amikacin 0 0 Selleck S3065 Amikacin sulfate 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-K50698959-315-01-8 BRD-K88043978-002-10-5 amikacin 0 0 Selleck S3122 Amikacin hydrate 585.286 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O LKCWBDHBTVXHDL-RMDFUYIESA-N 37768 BRD-U73512331-000-01-9 BRD-K97181089-003-24-7 amiloride 0 99.74 MicroSource 1500112 AMILORIDE HYDROCHLORIDE 229.048 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N XSDQTOBWRPYKKA-UHFFFAOYSA-N 16231 BRD-K97181089-003-25-9 amiloride 0 94.61 Tocris 890 Amiloride hydrochloride 229.048 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N XSDQTOBWRPYKKA-UHFFFAOYSA-N 16231 BRD-K97181089-310-06-3 amiloride 0 97.73 Selleck S2560 Amiloride hydrochloride dihydrate 229.048 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N XSDQTOBWRPYKKA-UHFFFAOYSA-N 16231 BRD-K97181089-003-22-1 amiloride 0 97.32 Selleck S1811 Amiloride HCl 229.048 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N XSDQTOBWRPYKKA-UHFFFAOYSA-N 16231 BRD-K97181089-003-23-9 amiloride 0 96.11 Tocris 890 Amiloride hydrochloride 229.048 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N XSDQTOBWRPYKKA-UHFFFAOYSA-N 16231 BRD-K24219278-001-01-6 amineptine 0 97.45 MedChemEx HY-16044 Amineptine 337.204 OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 ONNOFKFOZAJDHT-UHFFFAOYSA-N 38988248 BRD-K24219278-001-02-9 amineptine 0 96.32 MedChemEx HY-16044 Amineptine 337.204 OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 ONNOFKFOZAJDHT-UHFFFAOYSA-N 38988248 BRD-K64931368-003-01-4 aminocaproic-acid 0 100 MicroSource 1500114 AMINOCAPROIC ACID HYDROCHLORIDE 131.095 NCCCCCC(O)=O SLXKOJJOQWFEFD-UHFFFAOYSA-N 564 BRD-K64931368-001-14-1 aminocaproic-acid 0 0 Selleck S1671 ??6-????-Aminocaproic acid 131.095 NCCCCCC(O)=O SLXKOJJOQWFEFD-UHFFFAOYSA-N 564 BRD-K64931368-001-13-3 aminocaproic-acid 0 0 Selleck S1671 ?6-??-?Aminocaproic acid 131.095 NCCCCCC(O)=O SLXKOJJOQWFEFD-UHFFFAOYSA-N 564 BRD-A25234499-001-18-3 aminoglutethimide 0 93.51 MicroSource 1500115 AMINOGLUTETHIMIDE 232.121 "CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1 |&1:2,r|" ROBVIMPUHSLWNV-ZDUSSCGKSA-N 1548995 BRD-A25234499-001-19-1 aminoglutethimide 0 94.21 Selleck S1672 Aminoglutethimide (Cytadren) 232.121 "CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1 |&1:2,r|" ROBVIMPUHSLWNV-ZDUSSCGKSA-N 1548995 BRD-A25234499-001-17-5 aminoglutethimide 0 87.53 Selleck S1672 Aminoglutethimide 232.121 "CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1 |&1:2,r|" ROBVIMPUHSLWNV-ZDUSSCGKSA-N 1548995 BRD-A25234499-001-21-9 aminoglutethimide 0 90.92 MedChemEx HY-B0237 Aminoglutethimide 232.121 "CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1 |&1:2,r|" ROBVIMPUHSLWNV-ZDUSSCGKSA-N 1548995 BRD-K25114078-003-08-1 aminoguanidine 0 100 MicroSource 1506176 PIMAGEDINE HYDROCHLORIDE 74.059 NN=C(N)N HAMNKKUPIHEESI-UHFFFAOYSA-N 2146 BRD-K25114078-003-10-9 aminoguanidine 0 0 Tocris 787 Aminoguanidine hydrochloride 74.059 NN=C(N)N HAMNKKUPIHEESI-UHFFFAOYSA-N 2146 BRD-K25114078-003-07-3 aminoguanidine 0 94.99 Tocris 787 Aminoguanidine hydrochloride 74.059 NN=C(N)N HAMNKKUPIHEESI-UHFFFAOYSA-N 2146 BRD-A40777960-001-04-2 aminohydroxybutyric-acid 0 78.63 MicroSource 1503041 AMINOHYDROXYBUTYRIC ACID 119.058 "NC[C@@H](O)CC(O)=O |&1:2,r|" YQGDEPYYFWUPGO-VKHMYHEASA-N 6971281 BRD-A40777960-001-05-9 aminohydroxybutyric-acid 0 28.96 Sigma MFCD00008141 DL-4-AMINO-3-HYDROXYBUTYRIC ACID 119.058 "NC[C@@H](O)CC(O)=O |&1:2,r|" YQGDEPYYFWUPGO-VKHMYHEASA-N 6971281 BRD-K59998349-003-01-4 aminolevulinic-acid-benzyl-ester 0 94.33 ChemImpex 20989 221.105 NCC(=O)CCC(=O)OCc1ccccc1 AFFZCQDLQIEQGB-UHFFFAOYSA-N 9964521 BRD-A28318179-003-09-9 aminomethyltransferase 0 96.29 Tocris 871 AMT hydrochloride 130.056 "C[C@H]1CCN=C(N)S1 |&1:1,t:4|" BATVOUKHGLKDGQ-BYPYZUCNSA-N 7059445 BRD-A28318179-003-08-5 aminomethyltransferase 0 92.48 Tocris 871 AMT hydrochloride 130.056 "C[C@H]1CCN=C(N)S1 |&1:1,t:4|" BATVOUKHGLKDGQ-BYPYZUCNSA-N 7059445 BRD-A69917777-065-02-2 aminopentamide 0 97.37 MicroSource 1505650 AMINOPENTAMIDE SULFATE 296.189 CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C NARHAGIVSFTMIG-UHFFFAOYSA-N 176163 BRD-K97799481-205-02-7 aminophylline 0 97.33 Key KS-1426 "2-hydroxy-N,N,N-trimethylethanaminium 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide" 180.065 Cn1c2nc[nH]c2c(=O)n(C)c1=O ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2153 BRD-K97799481-205-01-9 aminophylline 0 60.29 MicroSource 1505759 OXTRIPHYLLINE 180.065 Cn1c2nc[nH]c2c(=O)n(C)c1=O ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2153 BRD-K97799481-230-01-7 aminophylline 0 97.12 Selleck S1673 Aminophylline 180.065 Cn1c2nc[nH]c2c(=O)n(C)c1=O ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2153 BRD-M53001068-230-06-8 BRD-K97799481-001-16-0 aminophylline 0 98.81 MicroSource 1500568 THEOPHYLLINE 180.065 Cn1c2nc[nH]c2c(=O)n(C)c1=O ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2153 BRD-K87544030-001-02-8 aminopterin 0 0 MicroSource 1500679 AMINOPTERIN 440.156 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 TVZGACDUOSZQKY-LBPRGKRZSA-N 169371 BRD-A86736466-001-05-9 BRD-K87544030-001-01-0 aminopterin 0 0 Sigma MFCD00036692 "(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid" 440.156 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 TVZGACDUOSZQKY-LBPRGKRZSA-N 169371 BRD-K07762753-001-06-9 aminopurvalanol-a 0 95.56 Tocris 2072 Aminopurvalanol A 403.189 CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 RAMROQQYRRQPDL-HNNXBMFYSA-N 6604931 BRD-K07762753-001-05-1 aminopurvalanol-a 0 94.2 Tocris 2072 Aminopurvalanol A 403.189 CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 RAMROQQYRRQPDL-HNNXBMFYSA-N 6604931 BRD-K07762753-001-04-4 aminopurvalanol-a 0 94.83 Tocris 2072 Aminopurvalanol A 403.189 CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 RAMROQQYRRQPDL-HNNXBMFYSA-N 6604931 BRD-K80267133-001-17-7 aminosalicylate 0 87.06 MicroSource 1500116 AMINOSALICYLATE SODIUM 153.043 Nc1ccc(C(O)=O)c(O)c1 WUBBRNOQWQTFEX-UHFFFAOYSA-N 4649 BRD-M65097687-001-19-1 BRD-K80267133-325-22-9 aminosalicylate 0 97.38 MedChemEx HY-I0447A Sodium 4-aminosalicylate dihydrate 153.043 Nc1ccc(C(O)=O)c(O)c1 WUBBRNOQWQTFEX-UHFFFAOYSA-N 4649 BRD-K80267133-001-18-5 aminosalicylate 0 79.77 Selleck S4073 Sodium 4-Aminosalicylate 153.043 Nc1ccc(C(O)=O)c(O)c1 WUBBRNOQWQTFEX-UHFFFAOYSA-N 4649 BRD-M65097687-001-18-3 BRD-K80267133-001-19-3 aminosalicylate 0 97.87 Selleck S4073 Aminosalicylate Sodium 153.043 Nc1ccc(C(O)=O)c(O)c1 WUBBRNOQWQTFEX-UHFFFAOYSA-N 4649 BRD-M65097687-001-20-9 BRD-K94837153-001-02-8 aminothiadiazole 0 0 Enamine EN300-17228 "1,3,4-thiadiazol-2-amine" 101.005 Nc1nncs1 QUKGLNCXGVWCJX-UHFFFAOYSA-N 19909 BRD-K94837153-001-01-0 aminothiadiazole 0 0 Vitas-M STK398099 101.005 Nc1nncs1 QUKGLNCXGVWCJX-UHFFFAOYSA-N 19909 BRD-K13421763-001-06-2 aminothiazole 0 98.31 MicroSource 1503017 AMINOTHIAZOLE 100.01 Nc1nccs1 RAIPHJJURHTUIC-UHFFFAOYSA-N 2155 BRD-K13421763-001-05-4 aminothiazole 0 72.72 Selleck S4198 Aminothiazole 100.01 Nc1nccs1 RAIPHJJURHTUIC-UHFFFAOYSA-N 2155 BRD-K13421763-001-07-0 aminothiazole 0 0 Selleck S4198 Aminothiazole 100.01 Nc1nccs1 RAIPHJJURHTUIC-UHFFFAOYSA-N 2155 BRD-K17561142-003-33-3 amiodarone 0 82.49 MicroSource 2300165 AMIODARONE HYDROCHLORIDE 645.024 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 IYIKLHRQXLHMJQ-UHFFFAOYSA-N 2157 BRD-K17561142-003-35-8 amiodarone 0 97.72 Selleck S1979 Amiodarone HCl 645.024 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 IYIKLHRQXLHMJQ-UHFFFAOYSA-N 2157 BRD-K17561142-003-32-5 amiodarone 0 87.98 Selleck S1979 Amiodarone HCl 645.024 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 IYIKLHRQXLHMJQ-UHFFFAOYSA-N 2157 BRD-K97643133-003-09-3 amiprilose 0 96.74 Prestwick Prestw-845 Amiprilose hydrochloride 305.184 CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO YXBQLONCIPUQKO-UJPOAAIJSA-N 121928 BRD-K00003223-003-01-9 amiselimod 0 90.67 MedChemEx HY-16734A Amiselimod (hydrochloride) 377.218 CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F JVCPIJKPAKAIIP-UHFFFAOYSA-N 16129483 BRD-A60197193-001-13-8 amisulpride 0 92.5 Selleck S1280 Amisulpride 369.172 "CCN1CCC[C@@H]1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC |&1:6,r|" NTJOBXMMWNYJFB-GFCCVEGCSA-N 5746246 BRD-A60197193-001-14-6 amisulpride 0 94.44 Tocris 2132 Amisulpride 369.172 "CCN1CCC[C@@H]1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC |&1:6,r|" NTJOBXMMWNYJFB-GFCCVEGCSA-N 5746246 BRD-A68942014-003-01-7 amitifadine 0 97.84 TygerSci D40030 "1-(3,4-Dichloro-phenyl)-3-aza-bicyclo[3.1.0]hexane HCl" 227.027 "Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 |&1:8,&2:10|" BSMNRYCSBFHEMQ-KCJUWKMLSA-N 11658655 BRD-K33335792-001-04-0 amitraz 0 0.09 MicroSource 1505299 AMITRAZ 293.189 CN(\C=N\c1ccc(C)cc1C)\C=N\c1ccc(C)cc1C QXAITBQSYVNQDR-ZIOPAAQOSA-N BRD-K33335792-001-05-9 amitraz 0 69.18 MedChemEx HY-B1111 Amitraz 293.189 CN(\C=N\c1ccc(C)cc1C)\C=N\c1ccc(C)cc1C QXAITBQSYVNQDR-ZIOPAAQOSA-N BRD-K53737926-003-27-8 amitriptyline 0 98.47 MicroSource 1500117 AMITRIPTYLINE HYDROCHLORIDE 277.183 CN(C)CCC=C1c2ccccc2CCc2ccccc12 KRMDCWKBEZIMAB-UHFFFAOYSA-N 2160 BRD-K53737926-003-25-2 amitriptyline 0 97.28 Selleck S3183 Amitriptyline HCl 277.183 CN(C)CCC=C1c2ccccc2CCc2ccccc12 KRMDCWKBEZIMAB-UHFFFAOYSA-N 2160 BRD-K29530284-001-08-9 amlexanox 0 95.58 Tocris 4857 Amlexanox 298.095 CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O SGRYPYWGNKJSDL-UHFFFAOYSA-N 2161 BRD-K29530284-001-06-2 amlexanox 0 99.58 MicroSource 1502377 AMLEXANOX 298.095 CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O SGRYPYWGNKJSDL-UHFFFAOYSA-N 2161 BRD-K29530284-001-07-0 amlexanox 0 97.67 Tocris 4857 Amlexanox 298.095 CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O SGRYPYWGNKJSDL-UHFFFAOYSA-N 2161 BRD-K01825117-074-11-9 amlodipine 0 89.83 Tocris 2571 "O3-ethyl O5-methyl rac-(4R)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate" 408.145 "CCOC(=O)C1=C(COCCN)NC(C)=C([C@H]1c1ccccc1Cl)C(=O)OC |&1:16,r,c:5,14|" HTIQEAQVCYTUBX-QGZVFWFLSA-N 9801597 BRD-K01825117-001-06-9 amlodipine 0 74.12 Selleck S1905 "O3-ethyl O5-methyl rac-(4R)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate" 408.145 "CCOC(=O)C1=C(COCCN)NC(C)=C([C@H]1c1ccccc1Cl)C(=O)OC |&1:16,r,c:5,14|" HTIQEAQVCYTUBX-QGZVFWFLSA-N 9801597 BRD-K01825117-001-07-9 amlodipine 0 80.32 Selleck S1905 "O3-ethyl O5-methyl rac-(4R)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate" 408.145 "CCOC(=O)C1=C(COCCN)NC(C)=C([C@H]1c1ccccc1Cl)C(=O)OC |&1:16,r,c:5,14|" HTIQEAQVCYTUBX-QGZVFWFLSA-N 9801597 BRD-K83486494-001-02-9 ammonium-glycyrrhizinate 0 66 MedChemEx HY-N0184 Glycyrrhizic acid 822.404 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |t:18| LPLVUJXQOOQHMX-QWBHMCJMSA-N 14982 BRD-M29182745-001-01-4 ammonium-lactate 1 0 MicroSource 1506202 AMMONIUM LACTATE 107.058 "N.C[C@@H](O)C(O)=O |&1:2,r|" RZOBLYBZQXQGFY-HSHFZTNMSA-N 10313098 BRD-M29182745-001-02-2 ammonium-lactate 1 0 Selleck S5625 AMMONIUM LACTATE 107.058 "N.C[C@@H](O)C(O)=O |&1:2,r|" RZOBLYBZQXQGFY-HSHFZTNMSA-N 10313098 BRD-K32531356-001-03-9 ammonium-perfluorocaprylate 0 100 Sigma MFCD00004174 Perfluorooctanoic acid 413.974 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F SNGREZUHAYWORS-UHFFFAOYSA-N 9554 BRD-K32531356-001-01-9 ammonium-perfluorocaprylate 0 54.3 Enamine Z104477538 413.974 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F SNGREZUHAYWORS-UHFFFAOYSA-N 9554 BRD-K23335153-300-03-3 AMN-082 0 91.68 Tocris 2385 AMN 082 dihydrochloride 392.225 C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 DTZDSNQYNPNCPK-UHFFFAOYSA-N 1894361 BRD-K23335153-300-02-5 AMN-082 0 91.79 Tocris 2385 AMN 082 dihydrochloride 392.225 C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 DTZDSNQYNPNCPK-UHFFFAOYSA-N 1894361 BRD-K23335153-300-08-9 AMN-082 0 94.33 Tocris 2385 AMN 082 dihydrochloride 392.225 C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 DTZDSNQYNPNCPK-UHFFFAOYSA-N 1894361 BRD-K91290917-300-01-8 amodiaquine 0 98.24 MicroSource 1500119 AMODIAQUINE DIHYDROCHLORIDE 355.145 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O OVCDSSHSILBFBN-UHFFFAOYSA-N 3647519 BRD-K73443792-300-04-9 BRD-K91290917-336-05-3 amodiaquine 0 98 Prestwick Prestw-309 Amodiaquin dihydrochloride dihydrate 355.145 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O OVCDSSHSILBFBN-UHFFFAOYSA-N 3647519 BRD-K56334280-001-05-1 amonafide 0 90.78 Selleck S1367 Amonafide 283.132 CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23 UPALIKSFLSVKIS-UHFFFAOYSA-N 50515 BRD-A37390343-003-03-5 amorolfine 0 96.04 MicroSource 1502371 AMOROLFINE HYDROCHLORIDE 317.272 "CCC(C)(C)c1ccc(C[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cc1 |a:15,18,&1:10|" MQHLMHIZUIDKOO-KURKYZTESA-N 25790581 BRD-A37390343-003-02-7 amorolfine 0 94.99 Selleck S1676 Amorolfine HCl 317.272 "CCC(C)(C)c1ccc(C[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cc1 |a:15,18,&1:10|" MQHLMHIZUIDKOO-KURKYZTESA-N 25790581 BRD-A37390343-003-04-3 amorolfine 0 97.1 Selleck S1676 Amorolfine Hydrochloride 317.272 "CCC(C)(C)c1ccc(C[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cc1 |a:15,18,&1:10|" MQHLMHIZUIDKOO-KURKYZTESA-N 25790581 BRD-K02265150-001-26-5 amoxapine 0 92.24 MicroSource 2300161 AMOXAPINE 313.098 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| QWGDMFLQWFTERH-UHFFFAOYSA-N 2170 BRD-K02265150-001-25-7 amoxapine 0 76.75 Selleck S4218 Amoxapine 313.098 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| QWGDMFLQWFTERH-UHFFFAOYSA-N 2170 BRD-K02265150-001-27-3 amoxapine 0 96.84 Selleck S4218 Amoxapine 313.098 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| QWGDMFLQWFTERH-UHFFFAOYSA-N 2170 BRD-K55044200-001-16-1 amoxicillin 0 54.76 MicroSource 1500120 AMOXICILLIN 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K08635111-001-04-8 BRD-K55044200-236-03-1 amoxicillin 0 77.12 MedChemEx HY-B0467 Amoxicillin (sodium) 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K55044200-236-02-3 amoxicillin 0 64.88 Selleck S2565 Amoxicillin sodium (Amox) 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K55044200-236-04-9 amoxicillin 0 55.7 Selleck S2565 Amoxicillin Sodium 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K39234907-236-01-9 BRD-K55044200-001-15-3 amoxicillin 0 78.91 Selleck S3015 Amoxicillin 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K58632460-001-01-7 BRD-K55044200-001-14-6 amoxicillin 0 96.19 Selleck S3015 Amoxicillin (Amoxycillin) 365.105 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O LSQZJLSUYDQPKJ-NJBDSQKTSA-N 40467057 BRD-K01826817-001-04-9 AMPA-(RS) 0 100 Tocris 169 (RS)-AMPA 186.064 Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O |&1:8| UUDAMDVQRQNNHZ-RXMQYKEDSA-N 7059442 BRD-K01826817-004-03-9 AMPA-(RS) 0 86.94 Tocris 1074 (RS)-AMPA hydrobromide 265.99 Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O |&1:8| UUDAMDVQRQNNHZ-RXMQYKEDSA-N 7059442 BRD-K92493880-001-03-0 AMPA-(S) 0 87.14 Tocris 254 (S)-AMPA 186.064 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O UUDAMDVQRQNNHZ-YFKPBYRVSA-N 7000183 BRD-K92493880-001-04-9 AMPA-(S) 0 100 Tocris 254 (S)-AMPA 186.064 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O UUDAMDVQRQNNHZ-YFKPBYRVSA-N 7000183 BRD-K24771047-001-02-9 ampalex 0 96.36 MedChemEx HY-10933 Ampalex 241.122 O=C(N1CCCCC1)c1ccc2nccnc2c1 ANDGGVOPIJEHOF-UHFFFAOYSA-N 148184 BRD-K24771047-001-01-6 ampalex 0 99.54 MedChemEx HY-10933 Ampalex 241.122 O=C(N1CCCCC1)c1ccc2nccnc2c1 ANDGGVOPIJEHOF-UHFFFAOYSA-N 148184 BRD-K52397688-003-06-4 amperozide 0 98.96 Enzo AC1367 Amperozide 401.228 CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 NNAIYOXJNVGUOM-UHFFFAOYSA-N 73333 BRD-K52397688-003-07-2 amperozide 0 95.92 SantaCruz sc-203512 Amperozide hydrochloride 401.228 CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 NNAIYOXJNVGUOM-UHFFFAOYSA-N 73333 BRD-K27352494-001-04-4 amphotericin-b 0 0 MicroSource 1500122 AMPHOTERICIN B 923.488 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,50,52,54,56,58|" APKFDSVGJQXUKY-ZNVUZQDLSA-N 91827561 BRD-A75647097-001-03-3 BRD-K27352494-001-03-6 amphotericin-b 0 74.84 Selleck S1636 Amphotericin B 923.488 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,50,52,54,56,58|" APKFDSVGJQXUKY-ZNVUZQDLSA-N 91827561 BRD-K27352494-001-05-1 amphotericin-b 0 0 MedChemEx HY-B0221 Amphotericin B 923.488 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,50,52,54,56,58|" APKFDSVGJQXUKY-ZNVUZQDLSA-N 91827561 BRD-K94561406-001-01-1 BRD-K27352494-001-06-9 amphotericin-b 0 0 Selleck S1636 Amphotericin B 923.488 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,50,52,54,56,58|" APKFDSVGJQXUKY-ZNVUZQDLSA-N 91827561 BRD-K82702594-001-02-5|BRD-K69849489-001-01-1 BRD-K68432770-236-24-9 ampicillin 0 84.41 MedChemEx HY-B0522A Ampicillin (sodium) 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-236-20-7 ampicillin 0 11.12 MicroSource 1500123 AMPICILLIN SODIUM 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-236-23-1 ampicillin 0 76.31 MedChemEx HY-B0522A Ampicillin (sodium) 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-236-22-3 ampicillin 0 73.48 Sigma MFCD00064313 "sodium (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-236-21-5 ampicillin 0 19.53 Selleck S3170 Ampicillin sodium 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-236-19-9 ampicillin 0 61.66 Selleck S3170 Ampicillin sodium 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K68432770-341-07-2 ampicillin 0 34.05 Selleck S4148 Ampicillin Trihydrate 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-K94927753-341-01-3 BRD-K68432770-341-05-6 ampicillin 0 31.52 Selleck S4148 Ampicillin Trihydrate 349.11 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O AVKUERGKIZMTKX-NJBDSQKTSA-N 7048611 BRD-A39172021-001-14-5 ampiroxicam 0 78.57 MedChemEx HY-17484 Ampiroxicam 447.11 "CCOC(=O)O[C@@H](C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 |&1:6,r,t:9|" LSNWBKACGXCGAJ-ZDUSSCGKSA-N 25273583 BRD-A39172021-001-13-7 ampiroxicam 0 4.82 MedChemEx HY-17484 Ampiroxicam 447.11 "CCOC(=O)O[C@@H](C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 |&1:6,r,t:9|" LSNWBKACGXCGAJ-ZDUSSCGKSA-N 25273583 BRD-A39172021-001-10-3 ampiroxicam 0 10.36 MicroSource 1504830 AMPIROXICAM 447.11 "CCOC(=O)O[C@@H](C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 |&1:6,r,t:9|" LSNWBKACGXCGAJ-ZDUSSCGKSA-N 25273583 BRD-A39172021-001-09-5 ampiroxicam 0 0 Selleck S4011 Ampiroxicam 447.11 "CCOC(=O)O[C@@H](C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 |&1:6,r,t:9|" LSNWBKACGXCGAJ-ZDUSSCGKSA-N 25273583 BRD-A39172021-001-11-1 ampiroxicam 0 61.74 Selleck S4011 Ampiroxicam 447.11 "CCOC(=O)O[C@@H](C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1 |&1:6,r,t:9|" LSNWBKACGXCGAJ-ZDUSSCGKSA-N 25273583 BRD-K47827687-001-02-2 amprenavir 0 95.63 Selleck S1639 Amprenavir 505.225 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 YMARZQAQMVYCKC-OEMFJLHTSA-N 65016 BRD-K47827687-001-04-9 amprenavir 0 88.76 MedChemEx HY-17430 Amprenavir 505.225 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 YMARZQAQMVYCKC-OEMFJLHTSA-N 65016 BRD-K90027121-300-14-9 amprolium 0 93.96 MedChemEx HY-B0937A Amprolium (hydrochloride) 243.161 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 IPZFPROOBOUEIG-UHFFFAOYSA-N 2178 BRD-K90027121-300-13-2 amprolium 0 93.77 Selleck S4144 Amprolium HCl 243.161 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 IPZFPROOBOUEIG-UHFFFAOYSA-N 2178 BRD-K90027121-003-01-7 amprolium 0 95.82 MicroSource 1500124 AMPROLIUM 243.161 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 IPZFPROOBOUEIG-UHFFFAOYSA-N 2178 BRD-K20484910-001-16-9 ampyrone 0 94.82 MedChemEx HY-B1398 Ampyrone 203.106 Cc1c(N)c(=O)n(-c2ccccc2)n1C RLFWWDJHLFCNIJ-UHFFFAOYSA-N 2151 BRD-K20484910-001-14-7 ampyrone 0 70.49 Prestwick Prestw-181 Ampyrone 203.106 Cc1c(N)c(=O)n(-c2ccccc2)n1C RLFWWDJHLFCNIJ-UHFFFAOYSA-N 2151 BRD-K45924332-001-16-8 amrinone 0 92.25 MicroSource 1503084 INAMRINONE 187.075 Nc1cc(c[nH]c1=O)-c1ccncc1 RNLQIBCLLYYYFJ-UHFFFAOYSA-N 3698 BRD-K45924332-001-24-9 amrinone 0 81.72 Sigma MFCD00083228 Amrinone 187.075 Nc1cc(c[nH]c1=O)-c1ccncc1 RNLQIBCLLYYYFJ-UHFFFAOYSA-N 3698 BRD-K13843533-001-02-5 amrubicin 0 7.43 MedChemEx HY-B0067 Amrubicin 483.153 CC(=O)[C@@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2C1 VJZITPJGSQKZMX-XDPRQOKASA-N 3035016 BRD-K13843533-001-01-7 amrubicin 0 74.78 MedChemEx HY-B0067 Amrubicin 483.153 CC(=O)[C@@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2C1 VJZITPJGSQKZMX-XDPRQOKASA-N 3035016 BRD-K68346641-001-02-2 amsacrine 0 95.69 MicroSource 1503256 AMSACRINE 393.115 COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 XCPGHVQEEXUHNC-UHFFFAOYSA-N 2179 BRD-K98490050-001-02-6 BRD-K68346641-001-01-4 amsacrine 0 89.75 Enzo AC2018 Amsacrine 393.115 COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 XCPGHVQEEXUHNC-UHFFFAOYSA-N 2179 BRD-K39670393-303-03-9 amthamine 0 57.3 Tocris 668 Amthamine dihydrobromide 157.067 Cc1nc(N)sc1CCN LHVRFUVVRXGZPV-UHFFFAOYSA-N 126688 BRD-K39670393-303-02-1 amthamine 0 90.06 Tocris 668 Amthamine dihydrobromide 157.067 Cc1nc(N)sc1CCN LHVRFUVVRXGZPV-UHFFFAOYSA-N 126688 BRD-K70924353-001-01-2 amtolmetin-guacil 0 94.69 OxChem AX8076550 420.169 COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C CWJNMKKMGIAGDK-UHFFFAOYSA-N 65655 BRD-K66538826-001-07-2 amuvatinib 0 97.82 Selleck S1244 Amuvatinib (MP-470) 447.137 S=C(NCc1ccc2OCOc2c1)N1CCN(CC1)c1ncnc2c3ccccc3oc12 FOFDIMHVKGYHRU-UHFFFAOYSA-N 11282283 BRD-K66538826-001-01-5 amuvatinib 0 Selleck S1244 MP-470 447.137 S=C(NCc1ccc2OCOc2c1)N1CCN(CC1)c1ncnc2c3ccccc3oc12 "InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)" 11282283 BRD-K03504028-001-09-9 amygdalin 0 87.18 MedChemEx HY-N0190 Amygdalin 457.158 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O XUCIJNAGGSZNQT-JHSLDZJXSA-N 656516 BRD-K03504028-001-07-6 amygdalin 0 95.98 Selleck S2260 Amygdalin 457.158 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O XUCIJNAGGSZNQT-JHSLDZJXSA-N 656516 BRD-K03504028-001-08-4 amygdalin 0 0 Selleck S2260 Laetrile 457.158 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O XUCIJNAGGSZNQT-JHSLDZJXSA-N 656516 BRD-K11478426-001-01-4 BRD-K03326591-001-01-4 amyl-nitrite 0 0 Sigma MFCD00036132 pentyl nitrite 117.079 CCCCCO[NH2+][O-] GVGUCRAJNQYOSE-UHFFFAOYSA-N 129010055 BRD-A09062839-003-10-0 amyleine 0 98.68 Prestwick Prestw-49 Amyleine hydrochloride 235.157 CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1 |&1:2| FDMBBCOBEAVDAO-AWEZNQCLSA-N 66584276 BRD-A09062839-003-11-9 amyleine 0 88.12 Toronto a636700 amylocaine hydrochloride 235.157 CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1 |&1:2| FDMBBCOBEAVDAO-AWEZNQCLSA-N 66584276 BRD-K93502141-001-02-4 amylene-hydrate 1 0 Sigma MFCD00004478 2-methyl-2-butanol 88.089 CCC(C)(C)O MSXVEPNJUHWQHW-UHFFFAOYSA-N 6405 BRD-K93502141-001-01-6 amylene-hydrate 1 0 MicroSource 1301017 AMYLENE HYDRATE 88.089 CCC(C)(C)O MSXVEPNJUHWQHW-UHFFFAOYSA-N 6405 BRD-K00256256-001-06-1 AMZ30 0 88.11 MedChemEx HY-12833 AMZ30 461.015 [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1 GUCUORSUHTZMBW-YBFXNURJSA-N 44607965 BRD-K21920947-001-02-1 AN2718 0 96.45 Enamine Z1739256298 "5-chloro-2,1-benzoxaborol-1(3H)-ol" 168.015 OB1OCc2cc(Cl)ccc12 HMAFTPZYFJFEHK-UHFFFAOYSA-N 11845944 BRD-K21920947-001-01-3 AN2718 0 0 Enamine EN300-117650 168.015 OB1OCc2cc(Cl)ccc12 HMAFTPZYFJFEHK-UHFFFAOYSA-N 11845944 BRD-A19609491-001-02-9 ANA-12 0 98.36 Tocris 4781 ANA 12 407.13 "O=C(Nc1ccccc1C(=O)N[C@H]1CCCCNC1=O)c1cc2ccccc2s1 |&1:12,r|" TUSCYCAIGRVBMD-KRWDZBQOSA-N 6977265 BRD-A19609491-001-01-8 ANA-12 0 96.82 Tocris 4781 ANA 12 407.13 "O=C(Nc1ccccc1C(=O)N[C@H]1CCCCNC1=O)c1cc2ccccc2s1 |&1:12,r|" TUSCYCAIGRVBMD-KRWDZBQOSA-N 6977265 BRD-K01826509-001-09-9 anabasine 0 90.14 Enzo AC1068 "(R,S)-3-(2-Piperidinyl) pyridine [(-)-Anabasine]" 162.116 "C1CC[C@@H](NC1)c1cccnc1 |&1:3,r|" MTXSIJUGVMTTMU-SNVBAGLBSA-N 641266 BRD-K77118600-001-02-9 anacetrapib 0 97.66 MedChemEx HY-12090 Anacetrapib 637.167 COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C MZZLGJHLQGUVPN-HAWMADMCSA-N 11556427 BRD-K05355328-001-02-9 anagliptin 0 82.68 MedChemEx HY-14877 Anagliptin 383.207 Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N LDXYBEHACFJIEL-HNNXBMFYSA-N 44513473 BRD-K05355328-001-01-1 anagliptin 0 63.33 MedChemEx HY-14877 Anagliptin 383.207 Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N LDXYBEHACFJIEL-HNNXBMFYSA-N 44513473 BRD-K62200014-003-11-3 anagrelide 0 93.31 MicroSource 1505590 ANAGRELIDE HYDROCHLORIDE 254.997 Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl |t:5| OTBXOEAOVRKTNQ-UHFFFAOYSA-N 135409400 BRD-K62200014-001-02-6 anagrelide 0 98.12 Selleck S3172 Anagrelide 254.997 Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl |t:5| OTBXOEAOVRKTNQ-UHFFFAOYSA-N 135409400 BRD-K62200014-003-10-5 anagrelide 0 94.48 Selleck S3172 Anagrelide HCl 254.997 Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl |t:5| OTBXOEAOVRKTNQ-UHFFFAOYSA-N 135409400 BRD-K01174345-001-01-9 anamorelin 0 90.17 MedChemEx HY-14734 Anamorelin 546.332 CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N VQPFSIRUEPQQPP-MXBOTTGLSA-N 9828911 BRD-K01174345-001-02-9 anamorelin 0 98 MedChemEx HY-14734 Anamorelin 546.332 CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N VQPFSIRUEPQQPP-MXBOTTGLSA-N 9828911 BRD-K42352790-001-05-3 anandamide 0 97.08 Enzo FA017 Anandamide 347.282 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO LGEQQWMQCRIYKG-DOFZRALJSA-N 5281969 BRD-K42352790-001-11-9 anandamide 0 6.19 Sigma A0580 Arachidonylethanolamide 347.282 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO LGEQQWMQCRIYKG-DOFZRALJSA-N 5281969 BRD-K52172416-001-14-8 anastrozole 0 83.77 Tocris 3388 Anastrozole 293.164 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N YBBLVLTVTVSKRW-UHFFFAOYSA-N 2187 BRD-K52172416-001-11-4 anastrozole 0 99.51 MicroSource 1502278 ANASTROZOLE 293.164 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N YBBLVLTVTVSKRW-UHFFFAOYSA-N 2187 BRD-K52172416-001-10-6 anastrozole 0 96.82 Selleck S1188 Anastrozole 293.164 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N YBBLVLTVTVSKRW-UHFFFAOYSA-N 2187 BRD-K82164249-001-03-5 andarine 0 97.06 Selleck S1140 Andarine 441.115 CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 YVXVTLGIDOACBJ-SFHVURJKSA-N 9824562 BRD-K82164249-001-04-9 andarine 0 97.56 MedChemEx HY-12023 Andarine 441.115 CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 YVXVTLGIDOACBJ-SFHVURJKSA-N 9824562 BRD-K89282837-001-04-9 andrographolide 0 92.89 Tocris 4626 Andrographolide 350.209 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12 BOJKULTULYSRAS-OTESTREVSA-N 5318517 BRD-A64011898-001-01-0 androstenone 0 100 SantaCruz sc-227030 5 -Androst-16-en-3-one 272.214 "C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]34C)[C@@H]1CC=C2 |&1:1,&2:4,&3:5,&4:8,&5:14,&6:16,r,c:21|" HFVMLYAGWXSTQI-UGRKVPRCSA-N BRD-K12329651-001-19-9 androsterone 0 100 MedChemEx HY-N0933 Androsterone 290.225 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O QGXBDMJGAMFCBF-HLUDHZFRSA-N 5879 BRD-K12329651-001-18-8 androsterone 0 100 Prestwick Prestw-411 Androsterone 290.225 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O QGXBDMJGAMFCBF-HLUDHZFRSA-N 5879 BRD-K00005346-001-01-9 anecortave-acetate 0 76.87 Toronto a637640 anecortave 386.209 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C |c:25,t:15|" YUWPMEXLKGOSBF-GACAOOTBSA-N 111332 BRD-K49060658-001-08-0 anethole 0 0 MedChemEx HY-B0900 Anethole 148.089 COc1ccc(\C=C\C)cc1 RUVINXPYWBROJD-ONEGZZNKSA-N 637563 BRD-K49060658-001-05-6 anethole 0 0 MicroSource 1503705 ANETHOLE 148.089 COc1ccc(\C=C\C)cc1 RUVINXPYWBROJD-ONEGZZNKSA-N 637563 BRD-K49060658-001-07-2 anethole 0 0 MedChemEx HY-B0900 Anethole 148.089 COc1ccc(\C=C\C)cc1 RUVINXPYWBROJD-ONEGZZNKSA-N 637563 BRD-K92490248-001-04-1 anethole-trithione 0 52.71 Enzo DL151 Anethole-trithione (anetholtrithion) 239.974 COc1ccc(cc1)-c1cc(=S)ss1 KYLIZBIRMBGUOP-UHFFFAOYSA-N 2194 BRD-K92490248-001-06-6 anethole-trithione 0 97.57 MedChemEx HY-B1223 Anethole (trithione) 239.974 COc1ccc(cc1)-c1cc(=S)ss1 KYLIZBIRMBGUOP-UHFFFAOYSA-N 2194 BRD-K45724504-001-01-6 anguidine 0 100 Enzo NP563 Diacetoxyscirpenol 366.168 CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1 |c:9| AUGQEEXBDZWUJY-ZLJUKNTDSA-N 91518 BRD-K00003560-001-01-9 anidulafungin 0 97.45 MedChemEx HY-13553 Anidulafungin 1139.506 CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| JHVAMHSQVVQIOT-MFAJLEFUSA-N 166548 BRD-K88611939-001-25-7 aniracetam 0 95.85 Tocris 867 Aniracetam 219.09 COc1ccc(cc1)C(=O)N1CCCC1=O ZXNRTKGTQJPIJK-UHFFFAOYSA-N 2196 BRD-K88611939-001-26-9 aniracetam 0 89.98 Tocris 867 Aniracetam 219.09 COc1ccc(cc1)C(=O)N1CCCC1=O ZXNRTKGTQJPIJK-UHFFFAOYSA-N 2196 BRD-K88611939-001-23-2 aniracetam 0 96.69 Tocris 867 Aniracetam 219.09 COc1ccc(cc1)C(=O)N1CCCC1=O ZXNRTKGTQJPIJK-UHFFFAOYSA-N 2196 BRD-K88611939-001-22-4 aniracetam 0 97.89 Selleck S1281 Aniracetam 219.09 COc1ccc(cc1)C(=O)N1CCCC1=O ZXNRTKGTQJPIJK-UHFFFAOYSA-N 2196 BRD-K47458712-001-22-3 anisindione 0 89.62 MedChemEx HY-B0924 Anisindione 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-K47458712-001-17-3 anisindione 0 34.21 Selleck S4304 Anisindione 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-K47458712-001-20-7 anisindione 0 73.7 Vitas-M STK363125 "2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione" 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-K47458712-001-21-5 anisindione 0 63.02 MedChemEx HY-B0924 Anisindione 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-K47458712-001-18-1 anisindione 0 66.4 MicroSource 1502198 ANISINDIONE 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-K47458712-001-19-9 anisindione 0 36.71 Selleck S4304 anisindione 252.079 COc1ccc(cc1)C1C(=O)c2ccccc2C1=O XRCFXMGQEVUZFC-UHFFFAOYSA-N 2197 BRD-A29623586-001-01-3 anisodamine 0 86.1 MicroSource 300047 ANISODAMINE HYDROBROMIDE 305.163 "CN1[C@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1 |a:4,6,8,13,&1:2,THB:5:4:1:7.8.9|" WTQYWNWRJNXDEG-JKJDWNRSSA-N BRD-K91370081-001-25-1 anisomycin 0 87.39 Tocris 1290 Anisomycin 265.131 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 YKJYKKNCCRKFSL-RDBSUJKOSA-N 253602 BRD-K91370081-001-26-9 anisomycin 0 91.81 Tocris 1290 Anisomycin 265.131 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 YKJYKKNCCRKFSL-RDBSUJKOSA-N 253602 BRD-K71125570-004-15-6 anisotropine 0 100 Oakwood 103172 Anisotropine methylbromide 282.243 CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C XGGHHHBGPSNXFE-ZSHCYNCHSA-N BRD-K36949735-001-02-9 anlotinib 0 94.76 MedChemEx HY-19716 Anlotinib 407.165 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1 KSMZEXLVHXZPEF-UHFFFAOYSA-N 25017411 BRD-K36949735-001-01-1 anlotinib 0 98.34 MedChemEx HY-19716 Anlotinib 407.165 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1 KSMZEXLVHXZPEF-UHFFFAOYSA-N 25017411 BRD-K55424922-003-03-6 anpirtoline 0 83.46 Tocris 703 Anpirtoline hydrochloride 228.049 Clc1cccc(SC2CCNCC2)n1 GGALEXMXDMUMDM-UHFFFAOYSA-N 65854 BRD-K55424922-003-04-9 anpirtoline 0 85.82 Tocris 703 Anpirtoline hydrochloride 228.049 Clc1cccc(SC2CCNCC2)n1 GGALEXMXDMUMDM-UHFFFAOYSA-N 65854 BRD-K55424922-003-02-8 anpirtoline 0 93.59 Tocris 703 Anpirtoline hydrochloride 228.049 Clc1cccc(SC2CCNCC2)n1 GGALEXMXDMUMDM-UHFFFAOYSA-N 65854 BRD-K31170746-001-01-6 ANR-94 0 96.91 Tocris 3937 ANR 94 207.112 CCOc1nc2c(N)ncnc2n1CC QUGDTMONBLMLLD-UHFFFAOYSA-N 11805896 BRD-K31170746-001-03-9 ANR-94 0 96.29 Tocris 3937 ANR 94 207.112 CCOc1nc2c(N)ncnc2n1CC QUGDTMONBLMLLD-UHFFFAOYSA-N 11805896 BRD-K00003196-001-01-9 ansamitocin-p-3 0 77.64 MedChemEx HY-15739 Ansamitocin P-3 634.266 "[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)C(C)C |t:17,19|" OPQNCARIZFLNLF-HSBZPDDFSA-N 131857169 BRD-K25863791-001-01-8 antagonist-g 0 77.63 Tocris 1954 "(6S,9R,12S,15R,18S,21S)-1,6-diamino-12-benzyl-1-imino-9,15-bis(1H-indol-3-ylmethyl)-18-isobutyl-11-methyl-21-[2-(methylsulfanyl)ethyl]-7,10,13,16,19-pentaoxo-2,8,11,14,17,20-hexaazadocosan-22-amide" 950.495 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O CUCSSYAUKKIDJV-FAXBSAIASA-N 163960 BRD-K01363385-003-01-5 antalarmin 0 95.23 Tocris 2778 Antalarmin hydrochloride 378.278 CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C IXPROWGEHNVJOY-UHFFFAOYSA-N 177990 BRD-K01363385-003-02-9 antalarmin 0 93.23 Tocris 2778 Antalarmin hydrochloride 378.278 CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C IXPROWGEHNVJOY-UHFFFAOYSA-N 177990 BRD-K99300445-001-01-2 antazoline 0 89.7 MicroSource 1500126 ANTAZOLINE 265.158 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| REYFJDPCWQRWAA-UHFFFAOYSA-N 2200 BRD-K99300445-003-22-9 antazoline 0 95.88 Tocris 791 Antazoline hydrochloride 265.158 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| REYFJDPCWQRWAA-UHFFFAOYSA-N 2200 BRD-K99300445-003-21-6 antazoline 0 92.85 Tocris 791 Antazoline hydrochloride 265.158 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| REYFJDPCWQRWAA-UHFFFAOYSA-N 2200 BRD-K99300445-003-20-8 antazoline 0 90.98 Selleck S4199 Antazoline HCl 265.158 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| REYFJDPCWQRWAA-UHFFFAOYSA-N 2200 BRD-K04725460-001-12-1 anthralin 0 0 MedChemEx HY-B0738 Dithranol 226.063 Oc1cccc2Cc3cccc(O)c3C(=O)c12 NUZWLKWWNNJHPT-UHFFFAOYSA-N 2202 BRD-K04725460-001-10-5 anthralin 0 0 MicroSource 1500127 ANTHRALIN 226.063 Oc1cccc2Cc3cccc(O)c3C(=O)c12 NUZWLKWWNNJHPT-UHFFFAOYSA-N 2202 BRD-K04725460-001-11-3 anthralin 0 0 MedChemEx HY-B0738 Dithranol 226.063 Oc1cccc2Cc3cccc(O)c3C(=O)c12 NUZWLKWWNNJHPT-UHFFFAOYSA-N 2202 BRD-K15957397-001-05-9 anthraquinone 0 86.59 Sigma MFCD00001188 Anthraquinone 208.052 O=C1c2ccccc2C(=O)c2ccccc12 RZVHIXYEVGDQDX-UHFFFAOYSA-N 6780 BRD-K15957397-001-04-2 anthraquinone 0 83.65 Vitas-M STK398385 208.052 O=C1c2ccccc2C(=O)c2ccccc12 RZVHIXYEVGDQDX-UHFFFAOYSA-N 6780 BRD-K00003675-409-01-9 antimony-potassium 0 0 MedChemEx HY-B1082 Antimonyl (potassium tartrate trihydrate) 535.794 [H][C@]12O[SbH]3(OC1=O)OC(=O)[C@]([H])(O3)[C@@]1([H])O[SbH]3(OC(=O)[C@]2([H])O3)OC1=O |r| ZCIXFSVENQDMCK-SOMOIXMJSA-J BRD-A74328360-409-01-0 antimonyl 1 0 MedChemEx HY-B1082 Antimonyl (potassium tartrate trihydrate) 535.794 O=C1O[SbH]23OC1C1O[SbH]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O ZCIXFSVENQDMCK-UHFFFAOYSA-J BRD-U39828521-000-01-2 BRD-A74328360-409-02-8 antimonyl 1 100 Sigma 383376-100G Potassium antimonyl tartrate dihydrate 535.794 O=C1O[SbH]23OC1C1O[SbH]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O ZCIXFSVENQDMCK-UHFFFAOYSA-J BRD-K90152265-001-01-3 antimycin-A 0 25.76 Enzo ALX-380-075-M010 Antimycin A 548.273 CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O UIFFUZWRFRDZJC-SBOOETFBSA-N 14957 BRD-K15541734-001-02-0 antioxine 0 0 Sigma 42632 5-isopropyl-2-methylphenol 150.104 CC(C)c1ccc(C)c(O)c1 RECUKUPTGUEGMW-UHFFFAOYSA-N 10364 BRD-K15541734-001-01-2 antioxine 0 0 Enamine Z104496566 150.104 CC(C)c1ccc(C)c(O)c1 RECUKUPTGUEGMW-UHFFFAOYSA-N 10364 BRD-K32143970-001-01-9 AP-18 0 91.72 Tocris 3296 AP 18 209.061 C\C(=C/c1ccc(Cl)cc1)\C(\C)=N\O MHTJEUOFLVQMCL-NJHPPEEMSA-N 9584673 BRD-K32143970-001-02-9 AP-18 0 96.53 Tocris 3296 AP 18 209.061 C\C(=C/c1ccc(Cl)cc1)\C(\C)=N\O MHTJEUOFLVQMCL-NJHPPEEMSA-N 9584673 BRD-K28383148-001-01-4 AP1903 0 89.09 MedChemEx HY-16046 AP1903 1410.677 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)COc2cccc(c2)[C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)c2cc(OC)c(OC)c(OC)c2)c1)c1cc(OC)c(OC)c(OC)c1 GQLCLPLEEOUJQC-ZTQDTCGGSA-N 16135625 BRD-K28383148-001-02-9 AP1903 0 94.14 MedChemEx HY-16046 Rimiducid 1410.677 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)COc2cccc(c2)[C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)c2cc(OC)c(OC)c(OC)c2)c1)c1cc(OC)c(OC)c(OC)c1 GQLCLPLEEOUJQC-ZTQDTCGGSA-N 16135625 BRD-K56032964-001-02-1 AP26113 0 90.42 Selleck S7000 AP26113 528.217 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C OVDSPTSBIQCAIN-UHFFFAOYSA-N 57390074 BRD-K56032964-001-01-3 AP26113 0 96.68 BayerPharma BAY 1747866 528.217 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C OVDSPTSBIQCAIN-UHFFFAOYSA-N 57390074 BRD-K20001883-001-02-7 apabetalone 0 96.24 Selleck S7295 RVX-208 370.153 COc1cc(OC)c2c(c1)[nH]c(nc2=O)-c1cc(C)c(OCCO)c(C)c1 NETXMUIMUZJUTB-UHFFFAOYSA-N 135564749 BRD-K28115081-001-03-5 apafant 0 96.78 Tocris 2339 WEB 2086 455.118 Cc1nnc2CN=C(c3cc(CCC(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6| JGPJQFOROWSRRS-UHFFFAOYSA-N 65889 BRD-K28115081-001-02-7 apafant 0 98.5 Tocris 2339 WEB 2086 455.118 Cc1nnc2CN=C(c3cc(CCC(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6| JGPJQFOROWSRRS-UHFFFAOYSA-N 65889 BRD-K28115081-001-04-9 apafant 0 97.32 Tocris 2339 WEB 2086 455.118 Cc1nnc2CN=C(c3cc(CCC(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6| JGPJQFOROWSRRS-UHFFFAOYSA-N 65889 BRD-K91308639-001-02-7 apalutamide 0 97.61 Selleck S2840 ARN-509 477.088 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F HJBWBFZLDZWPHF-UHFFFAOYSA-N 24872560 BRD-K91308639-001-04-9 apalutamide 0 95.18 MedChemEx HY-16060 Apalutamide 477.088 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F HJBWBFZLDZWPHF-UHFFFAOYSA-N 24872560 BRD-K00003492-001-01-9 apararenone 0 97.55 MedChemEx HY-109002 Apararenone 364.089 CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1 AZNHWXAFPBYFGH-UHFFFAOYSA-N 24744336 BRD-K25244359-066-02-6 apatinib 0 69.33 Selleck S2221 Apatinib 397.19 O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1 WPEWQEMJFLWMLV-UHFFFAOYSA-N 11315474 BRD-K25244359-066-03-4 apatinib 0 97.58 Selleck S2221 Apatinib (YN968D1) 397.19 O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1 WPEWQEMJFLWMLV-UHFFFAOYSA-N 11315474 BRD-K25244359-066-04-9 apatinib 0 97.5 MedChemEx HY-13342 Apatinib 397.19 O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1 WPEWQEMJFLWMLV-UHFFFAOYSA-N 11315474 BRD-K07449869-001-01-5 APC-100 0 93.42 Sigma MFCD00210347 "2,2,5,7,8-pentamethyl-6-chromanol" 220.146 Cc1c(C)c2OC(C)(C)CCc2c(C)c1O SEBPXHSZHLFWRL-UHFFFAOYSA-N 99479 BRD-K72748448-001-01-0 APcK-110 0 95.57 Tocris 3704 APcK 110 349.123 COc1cc(OC)cc(c1)-c1ccc2c([nH]nc2n1)-c1ccc(F)cc1 CAMGZGMEPKFVMF-UHFFFAOYSA-N 24786010 BRD-K72748448-001-02-9 APcK-110 0 95.08 Tocris 3704 APcK 110 349.123 COc1cc(OC)cc(c1)-c1ccc2c([nH]nc2n1)-c1ccc(F)cc1 CAMGZGMEPKFVMF-UHFFFAOYSA-N 24786010 BRD-K86226872-001-01-6 APD597 0 96.93 MedChemEx HY-15566 APD597 479.184 COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C WPDCHTSXOPUOII-UHFFFAOYSA-N 11691484 BRD-K10859802-001-01-0 APD668 0 98.92 MedChemEx HY-15565 APD668 477.148 CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O XTRUQJBVQBUKSQ-UHFFFAOYSA-N 11705608 BRD-K10859802-001-02-9 APD668 0 95.09 MedChemEx HY-15565 APD668 477.148 CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O XTRUQJBVQBUKSQ-UHFFFAOYSA-N 11705608 BRD-K85140930-001-12-7 aphidicolin 0 100 Enzo CC101 Aphidicolin 338.246 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO NOFOAYPPHIUXJR-APNQCZIXSA-N 457964 BRD-K85140930-001-13-9 aphidicolin 0 100 Sigma A0781 Aphidicolin Nigrospora sphaerica 338.246 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO NOFOAYPPHIUXJR-APNQCZIXSA-N 457964 BRD-K26325692-003-02-9 API-001 0 99.32 MedChemEx HY-18099A S1RA (hydrochloride) 337.179 Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 DGPGXHRHNRYVDH-UHFFFAOYSA-N 44247568 BRD-K26325692-003-01-3 API-001 0 96.83 MedChemEx HY-18099A S1RA (hydrochloride) 337.179 Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 DGPGXHRHNRYVDH-UHFFFAOYSA-N 44247568 BRD-K97840621-001-01-5 API-1 0 88.7 Tocris 3897 API-1 337.102 NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c2c1=O SPBWHPXCWJLQRU-FITJORAGSA-N 24773090 BRD-K97840621-001-02-9 API-1 0 96.5 Tocris 3897 API-1 337.102 NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c2c1=O SPBWHPXCWJLQRU-FITJORAGSA-N 24773090 BRD-K01493881-001-29-4 apigenin 0 96.49 Tocris 1227 Apigenin 270.053 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 5280443 BRD-K01493881-001-28-6 apigenin 0 94.78 Selleck S2262 Apigenin 270.053 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 5280443 BRD-K67121414-001-04-9 apixaban 0 99.16 MedChemEx HY-50667 Apixaban 459.191 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O QNZCBYKSOIHPEH-UHFFFAOYSA-N 10182969 BRD-K67121414-001-02-5 apixaban 0 97.55 Selleck S1593 Apixaban 459.191 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O QNZCBYKSOIHPEH-UHFFFAOYSA-N 10182969 BRD-K67121414-001-03-3 apixaban 0 99.06 MicroSource 1506317 APIXABAN 459.191 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O QNZCBYKSOIHPEH-UHFFFAOYSA-N 10182969 BRD-K64990520-001-11-9 apocynin 0 0 MedChemEx HY-N0088 Apocynin 166.063 COc1cc(ccc1O)C(C)=O DFYRUELUNQRZTB-UHFFFAOYSA-N 2214 BRD-K64990520-001-12-9 apocynin 0 96.42 MedChemEx HY-N0088 Apocynin 166.063 COc1cc(ccc1O)C(C)=O DFYRUELUNQRZTB-UHFFFAOYSA-N 2214 BRD-K64990520-001-08-4 apocynin 0 94.64 Selleck S2425 Apocynin 166.063 COc1cc(ccc1O)C(C)=O DFYRUELUNQRZTB-UHFFFAOYSA-N 2214 BRD-K15164005-001-06-4 apoptosis-activator-II 0 96.46 Tocris 2098 Apoptosis Activator 2 305.001 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl KGRJPLRFGLMQMV-UHFFFAOYSA-N 1901244 BRD-K15164005-001-08-9 apoptosis-activator-II 0 96.73 Tocris 2098 Apoptosis Activator 2 305.001 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl KGRJPLRFGLMQMV-UHFFFAOYSA-N 1901244 BRD-K15164005-001-04-9 apoptosis-activator-II 0 96.73 Selleck S2927 Apoptosis Activator 2 305.001 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl KGRJPLRFGLMQMV-UHFFFAOYSA-N 1901244 BRD-K15164005-001-05-6 apoptosis-activator-II 0 97.54 Tocris 2098 Apoptosis Activator 2 305.001 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl KGRJPLRFGLMQMV-UHFFFAOYSA-N 1901244 BRD-A09004963-001-01-3 APR-246 0 97.6 Adooq A13636 2-(hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one 199.121 "COC[C@@]1(CO)N2CCC(CC2)C1=O |&1:3,r,TLB:2:3:7.8:10.11|" BGBNULCRKBVAKL-SNVBAGLBSA-N 76965201 BRD-K38911213-003-01-6 apraclonidine 0 85.91 Ark AK143283 244.028 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |t:7| IEJXVRYNEISIKR-UHFFFAOYSA-N 2216 BRD-K96737756-065-02-9 apramycin 0 22.8 MedChemEx HY-B1329 Apramycin (sulfate) 539.28 CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O XZNUGFQTQHRASN-XQENGBIVSA-N 3081545 BRD-K06883221-001-02-9 apratastat 0 100 Sigma MFCD13152357 Apratastat 414.092 CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1 MAVDNGWEBZTACC-HNNXBMFYSA-N 11452716 BRD-K06883221-001-01-9 apratastat 0 92.98 Sigma SML1543 "(3S)-N-hydroxy-4-({4-[(4-hydroxy-2-butynyl)oxy]phenyl}sulfonyl)-2,2-dimethyl-3-thiomorpholinecarboxamide" 414.092 CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1 MAVDNGWEBZTACC-HNNXBMFYSA-N 11452716 BRD-K93208532-001-02-5 apremilast 0 93.31 Selleck S8034 Apremilast (CC-10004) 460.13 CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O IMOZEMNVLZVGJZ-QGZVFWFLSA-N 11561674 BRD-K93208532-001-05-9 apremilast 0 97.87 MedChemEx HY-12085 Apremilast 460.13 CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O IMOZEMNVLZVGJZ-QGZVFWFLSA-N 11561674 BRD-K52827117-001-04-9 aprepitant 0 97.69 MedChemEx HY-10052 Aprepitant 534.15 C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F ATALOFNDEOCMKK-OITMNORJSA-N 135413536 BRD-K55172746-001-01-3 apricitabine 0 98.8 Key AS-2749 "4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-2(1H)-pyrimidinone" 229.052 Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1 RYMCFYKJDVMSIR-RNFRBKRXSA-N 455041 BRD-K53236343-003-03-7 aprindine 0 82.34 Sigma A7606 "N~1~-(2,3-dihydro-1H-inden-2-yl)-N~3~,N~3~-diethyl-N~1~-phenyl-1,3-propanediamine hydrochloride" 322.241 CCN(CC)CCCN(C1Cc2ccccc2C1)c1ccccc1 NZLBHDRPUJLHCE-UHFFFAOYSA-N 2218 BRD-K00003524-001-01-9 apronal 0 94.07 MedChemEx HY-B2177 Apronal 184.121 "CC(C)[C@H](CC=C)C(=O)NC(N)=O |&1:3,r|" KSUUMAWCGDNLFK-ZETCQYMHSA-N 76961142 BRD-K63919159-003-08-8 aptiganel 0 91.02 Tocris 4492 Cerestat 303.174 CCc1cccc(c1)N(C)C(=N)Nc1cccc2ccccc12 BFNCJMURTMZBTE-UHFFFAOYSA-N 60840 BRD-K63919159-003-07-0 aptiganel 0 99.3 EMDBio 504522-10MG CNS-1102 303.174 CCc1cccc(c1)N(C)C(=N)Nc1cccc2ccccc12 BFNCJMURTMZBTE-UHFFFAOYSA-N 60840 BRD-K68003372-001-01-6 APTO-253 0 96.57 MedChemEx HY-16291 APTO-253 367.123 Cc1[nH]c2ccc(F)cc2c1-c1nc2c([nH]1)c1cccnc1c1ncccc21 NIRXBXIPHUTNNI-UHFFFAOYSA-N 11960271 BRD-K17511755-001-02-9 APY-29 0 97.84 Tocris 4865 APY 29 332.15 C1CC1c1cc(Nc2ccnc(Nc3ccc4nc[nH]c4c3)n2)[nH]n1 WJNBSTLIALIIEW-UHFFFAOYSA-N 42627755 BRD-K17511755-001-01-7 APY-29 0 94.48 Tocris 4865 APY 29 332.15 C1CC1c1cc(Nc2ccnc(Nc3ccc4nc[nH]c4c3)n2)[nH]n1 WJNBSTLIALIIEW-UHFFFAOYSA-N 42627755 BRD-K38627885-001-01-9 APY0201 0 88.96 MedChemEx HY-15982 APY0201 413.196 Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 RFZQYGBLRIKROZ-PCLIKHOPSA-N 56927660 BRD-K00004738-001-01-9 apyramide 0 94.26 MedChemEx HY-U00046 Apyramide 490.13 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(NC(C)=O)cc3)c2c1 KWUFTKVMXUYTBF-UHFFFAOYSA-N 50204 BRD-K00003365-300-01-9 AQ-13 0 96.51 MedChemEx HY-100358 AQ-13 dihydrochloride 291.15 CCN(CC)CCCNc1ccnc2cc(Cl)ccc12 NCPLTAGJJVCHOW-UHFFFAOYSA-N 3805581 BRD-K81729199-001-03-6 AQ-RA741 0 94.68 Tocris 2292 AQ-RA 741 463.295 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 BCUGCHZRMKTPMU-UHFFFAOYSA-N 129989 BRD-K81729199-001-02-8 AQ-RA741 0 89.3 Tocris 2292 AQ-RA 741 463.295 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 BCUGCHZRMKTPMU-UHFFFAOYSA-N 129989 BRD-K81729199-001-04-9 AQ-RA741 0 96.35 Tocris 2292 AQ-RA 741 463.295 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 BCUGCHZRMKTPMU-UHFFFAOYSA-N 129989 BRD-K00004705-001-01-9 AQW-051 0 77.97 AMS L14549 AQW-051 294.173 Cc1ccc(cc1)-c1ccc(O[C@H]2CN3CCC2CC3)cn1 NPDLTEZXGWRMLQ-IBGZPJMESA-N 50914822 BRD-K90497590-001-08-3 AR-12 0 88.78 Tocris 5682 OSU 03012 460.151 NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F YULUCECVQOCQFQ-UHFFFAOYSA-N 10027278 BRD-K90497590-001-05-9 AR-12 0 72.13 Selleck S1106 OSU-03012 (AR-12) 460.151 NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F YULUCECVQOCQFQ-UHFFFAOYSA-N 10027278 BRD-K90497590-001-07-5 AR-12 0 92.43 Adooq A10681 2-amino-N-{4-[5-(2-phenanthryl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}acetamide 460.151 NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F YULUCECVQOCQFQ-UHFFFAOYSA-N 10027278 BRD-K90497590-001-04-2 AR-12 0 78.85 Selleck S1106 OSU-03012 (AR-12) 460.151 NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F YULUCECVQOCQFQ-UHFFFAOYSA-N 10027278 BRD-K13167095-001-03-9 AR-42 0 97.9 MedChemEx HY-13265 AR-42 312.147 CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 LAMIXXKAWNLXOC-INIZCTEOSA-N 6918848 BRD-K13167095-001-02-9 AR-42 0 94.12 Selleck S2244 AR-42 312.147 CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 LAMIXXKAWNLXOC-INIZCTEOSA-N 6918848 BRD-K67860401-001-07-2 AR-A014418 0 96.97 Tocris 3966 AR-A 014418 308.058 COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 YAEMHJKFIIIULI-UHFFFAOYSA-N 448014 BRD-K67860401-001-05-6 AR-A014418 0 96.36 Selleck S7435 AR-A014418 308.058 COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 YAEMHJKFIIIULI-UHFFFAOYSA-N 448014 BRD-K42325600-001-02-9 AR-C155858 0 91.34 MedChemEx HY-13248 AR-C155858 461.173 CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O ISIVOJWVBJIOFM-ZDUSSCGKSA-N 10226546 BRD-K42325600-001-01-8 AR-C155858 0 93.13 MedChemEx HY-13248 AR-C155858 461.173 CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O ISIVOJWVBJIOFM-ZDUSSCGKSA-N 10226546 BRD-K03070961-001-10-1 arachidonic-acid 0 21.3 Sigma MFCD00004417 "(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid" 304.24 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O YZXBAPSDXZZRGB-DOFZRALJSA-N 444899 BRD-K03070961-001-08-5 arachidonic-acid 0 50.81 Enzo FA003 "5(Z),8(Z),11(Z),14(Z)-Eicosatetraenoic acid" 304.24 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O YZXBAPSDXZZRGB-DOFZRALJSA-N 444899 BRD-K00004646-001-01-9 aramchol 0 100 Sigma SML2352 "(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" 701.596 CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]23)C1 SHKXZIQNFMOPBS-OOMQYRRCSA-N 18738120 BRD-K73881242-003-06-1 arbidol 0 72.6 MedChemEx HY-14904A Arbidol (hydrochloride) 476.077 CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 KCFYEAOKVJSACF-UHFFFAOYSA-N 28446253 BRD-K73881242-003-02-0 arbidol 0 57.79 Selleck S2120 Arbidol HCl 476.077 CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 KCFYEAOKVJSACF-UHFFFAOYSA-N 28446253 BRD-K73881242-003-04-6 arbidol 0 80.95 MedChemEx HY-14904A Arbidol (hydrochloride) 476.077 CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 KCFYEAOKVJSACF-UHFFFAOYSA-N 28446253 BRD-K73881242-003-03-8 arbidol 0 79.43 Selleck S2120 Arbidol HCl 476.077 CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 KCFYEAOKVJSACF-UHFFFAOYSA-N 28446253 BRD-K08037784-001-13-9 arbutin 0 100 MedChemEx HY-N0192 Arbutin 272.09 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O BJRNKVDFDLYUGJ-RMPHRYRLSA-N 440936 BRD-K08037784-001-12-6 arbutin 0 100 Selleck S2263 Arbutin 272.09 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O BJRNKVDFDLYUGJ-RMPHRYRLSA-N 440936 BRD-K93188295-300-03-9 ARC-239 0 95.8 Tocris 928 ARC 239 dihydrochloride 407.221 COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 JFNKXGOEOQCXDM-UHFFFAOYSA-N 609483 BRD-K93188295-300-02-2 ARC-239 0 96.55 Tocris 928 ARC 239 dihydrochloride 407.221 COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 JFNKXGOEOQCXDM-UHFFFAOYSA-N 609483 BRD-K53523901-001-05-1 arctigenin 0 94.87 Tocris 1777 Arctigenin 372.157 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1OC NQWVSMVXKMHKTF-JKSUJKDBSA-N 64981 BRD-K53523901-001-04-4 arctigenin 0 98.04 Tocris 1777 Arctigenin 372.157 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1OC NQWVSMVXKMHKTF-JKSUJKDBSA-N 64981 BRD-K72726508-001-02-1 arcyriaflavin-a 0 87.45 Tocris 2457 Arcyriaflavin A 325.085 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 KAJXOWFGKYKMMZ-UHFFFAOYSA-N 5327723 BRD-K72726508-001-06-9 arcyriaflavin-a 0 89.04 Tocris 2457 Arcyriaflavin A 325.085 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 KAJXOWFGKYKMMZ-UHFFFAOYSA-N 5327723 BRD-K72726508-001-03-9 arcyriaflavin-a 0 83.77 Tocris 2457 Arcyriaflavin A 325.085 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 KAJXOWFGKYKMMZ-UHFFFAOYSA-N 5327723 BRD-K00003590-314-01-9 ardeparin 0 0 MedChemEx HY-17567A Heparin (sodium salt) 623.013 CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](OC)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O HXSDFQWQRCUQHF-IDOMHHBZSA-N 100942142 BRD-K63792901-075-02-1 arecaidine-but-2-ynyl-ester 0 87.97 Tocris 382 Arecaidine but-2-ynyl ester tosylate 193.11 CC#CCOC(=O)C1=CCCN(C)C1 |t:7| LBFWTPRSXIRKMZ-UHFFFAOYSA-N 4214594 BRD-K23922020-075-03-7 arecaidine-propargyl-ester 0 84.89 Tocris 383 "2-propynyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate 4-methylbenzenesulfonate" 179.095 CN1CCC=C(C1)C(=O)OCC#C |c:4| SPHRJZBOFYIKMC-UHFFFAOYSA-N 2229 BRD-K23922020-075-02-9 arecaidine-propargyl-ester 0 84.41 Tocris 383 Arecaidine propargyl ester tosylate 179.095 CN1CCC=C(C1)C(=O)OCC#C |c:4| SPHRJZBOFYIKMC-UHFFFAOYSA-N 2229 BRD-K88646909-004-17-9 arecoline 0 92.5 MedChemEx HY-B0489 Arecoline (hydrobromide) 155.095 COC(=O)C1=CCCN(C)C1 |t:4| HJJPJSXJAXAIPN-UHFFFAOYSA-N 2230 BRD-K88646909-004-15-4 arecoline 0 94.77 Selleck S2614 Arecoline 155.095 COC(=O)C1=CCCN(C)C1 |t:4| HJJPJSXJAXAIPN-UHFFFAOYSA-N 2230 BRD-K88646909-004-16-2 arecoline 0 99.05 MicroSource 1500680 ARECOLINE HYDROBROMIDE 155.095 COC(=O)C1=CCCN(C)C1 |t:4| HJJPJSXJAXAIPN-UHFFFAOYSA-N 2230 BRD-A48261811-001-07-3 argatroban 0 94.02 Tocris 1637 Argatroban 508.247 "C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 |a:1,5,12,&1:30|" KXNPVXPOPUZYGB-XYVMCAHJSA-N 152951 BRD-A48261811-001-08-1 argatroban 0 97.13 Selleck S2069 Argatroban 508.247 "C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 |a:1,5,12,&1:30|" KXNPVXPOPUZYGB-XYVMCAHJSA-N 152951 BRD-A10012892-001-01-9 BRD-A48261811-001-09-9 argatroban 0 77.04 Tocris 1637 Argatroban 508.247 "C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 |a:1,5,12,&1:30|" KXNPVXPOPUZYGB-XYVMCAHJSA-N 152951 BRD-K00003332-001-01-9 argireline 0 100 MedChemEx HY-P0033 Argireline 888.424 CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O RJZNPROJTJSYLC-LLINQDLYSA-N 11228338 BRD-K62734952-001-01-0 arglabin 0 97.88 MedChemEx HY-16059 Arglabin 246.126 CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13 |t:1| UVJYAKBJSGRTHA-CUZKYEQNSA-N 5574924 BRD-K62734952-001-02-9 arglabin 0 79.75 MedChemEx HY-16059 Arglabin 246.126 CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13 |t:1| UVJYAKBJSGRTHA-CUZKYEQNSA-N 5574924 BRD-K70358946-001-17-3 aripiprazole 0 95.78 Tocris 5584 Aripiprazole 447.148 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl CEUORZQYGODEFX-UHFFFAOYSA-N 60795 BRD-K70358946-001-15-7 aripiprazole 0 98.35 MicroSource 1505851 ARIPIPRAZOLE 447.148 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl CEUORZQYGODEFX-UHFFFAOYSA-N 60795 BRD-K70358946-001-14-0 aripiprazole 0 95.09 Selleck S1975 Aripiprazole 447.148 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl CEUORZQYGODEFX-UHFFFAOYSA-N 60795 BRD-K00004574-001-01-9 aripiprazole-lauroxil 0 73.03 Astatech 42552 ARIPIPRAZOLE LAUROXIL 659.326 CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12 DDINXHAORAAYAD-UHFFFAOYSA-N 49831411 BRD-K33852358-001-09-9 arofylline 0 98.45 Maybridge KM09088 304.073 CCCn1c(=O)n(-c2ccc(Cl)cc2)c2nc[nH]c2c1=O GVTLDPJNRVMCAL-UHFFFAOYSA-N 166553 BRD-A28044053-001-01-7 arotinolol 0 96.65 AKSci K136 371.08 "CC(C)(C)NC[C@@H](O)CSc1nc(cs1)-c1ccc(s1)C(N)=O |&1:6,r|" BHIAIPWSVYSKJS-SECBINFHSA-N 12797283 BRD-K60171656-001-01-6 ARQ-092 0 97.73 MedChemEx HY-19719 ARQ-092 432.206 Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1 HNFMVVHMKGFCMB-UHFFFAOYSA-N 53262401 BRD-K43436647-001-01-7 ARQ-621 0 80.29 Selleck S7355 ARQ 621 551.129 NCCCN([C@H](CC#C)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)C(=O)c1cccc(Cl)c1F UPJSUQWHUVLLNW-XMMPIXPASA-N 25110841 BRD-K43436647-001-02-5 ARQ-621 0 89.24 Selleck S7355 ARQ 621 551.129 NCCCN([C@H](CC#C)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)C(=O)c1cccc(Cl)c1F UPJSUQWHUVLLNW-XMMPIXPASA-N 25110841 BRD-K46386702-001-03-9 ARRY-334543 0 92.24 MedChemEx HY-10530 Varlitinib 466.098 C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 |c:34| UWXSAYUXVSFDBQ-CYBMUJFWSA-N 42642648 BRD-K46386702-001-02-1 ARRY-334543 0 93.97 Selleck S2755 Varlitinib 466.098 C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 |c:34| UWXSAYUXVSFDBQ-CYBMUJFWSA-N 42642648 BRD-K24179883-001-17-9 arsanilic-acid 0 94 MedChemEx HY-B1536 Arsanilic acid 216.972 Nc1ccc(cc1)[As](O)(O)=O XKNKHVGWJDPIRJ-UHFFFAOYSA-N 7389 BRD-K24179883-001-16-7 arsanilic-acid 0 100 MicroSource 1505652 ARSANILIC ACID 216.972 Nc1ccc(cc1)[As](O)(O)=O XKNKHVGWJDPIRJ-UHFFFAOYSA-N 7389 BRD-K32786395-001-01-2 arsenic-trioxide 0 0 Sigma 202673-5G Arsenic (III) oxide 197.828 O=[As]O[As]=O IKWTVSLWAPBBKU-UHFFFAOYSA-N 261004 BRD-K39621635-001-09-7 artemether 0 0 MicroSource 1505032 ARTEMETHER 298.178 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 SXYIRMFQILZOAM-HVNFFKDJSA-N 68911 BRD-A45966947-001-02-8 BRD-K39621635-001-07-1 artemether 0 0 MedChemEx HY-N0402 Artemether 298.178 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 SXYIRMFQILZOAM-HVNFFKDJSA-N 68911 BRD-K39621635-001-05-5 artemether 0 0 MedChemEx HY-N0402 Artemether 298.178 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 SXYIRMFQILZOAM-HVNFFKDJSA-N 68911 BRD-K39621635-001-08-9 artemether 0 0 Selleck S2264 Artemether 298.178 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 SXYIRMFQILZOAM-HVNFFKDJSA-N 68911 BRD-K17916327-001-02-5 BRD-K39621635-001-06-3 artemether 0 0 Selleck S2264 Artemether 298.178 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 SXYIRMFQILZOAM-HVNFFKDJSA-N 68911 BRD-K12393844-001-01-8 BRD-K13112821-001-18-2 artemisinin 0 100 MicroSource 1503042 ARTEMISININ 282.147 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BLUAFEHZUWYNDE-NNWCWBAJSA-N 68827 BRD-K27678847-001-06-1 BRD-K13112821-001-16-6 artemisinin 0 86.2 Tocris 2668 Artemisinin 282.147 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BLUAFEHZUWYNDE-NNWCWBAJSA-N 68827 BRD-K13112821-001-14-1 artemisinin 0 94.31 Tocris 2668 Artemisinin 282.147 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BLUAFEHZUWYNDE-NNWCWBAJSA-N 68827 BRD-K13112821-001-19-9 artemisinin 0 100 Tocris 2668 Artemisinin 282.147 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BLUAFEHZUWYNDE-NNWCWBAJSA-N 68827 BRD-K13112821-001-17-4 artemisinin 0 100 Selleck S1282 Artemisinin 282.147 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BLUAFEHZUWYNDE-NNWCWBAJSA-N 68827 BRD-K01715490-001-01-2 BRD-K96006160-001-03-7 artemotil 0 0 MedChemEx HY-B0770 Artemotil 312.194 CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 NLYNIRQVMRLPIQ-XQLAAWPRSA-N 3000469 BRD-K96006160-001-01-1 artemotil 0 0 AKSci N732 312.194 CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 NLYNIRQVMRLPIQ-XQLAAWPRSA-N 3000469 BRD-K96006160-001-02-9 artemotil 0 0 MedChemEx HY-B0770 Artemotil 312.194 CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 NLYNIRQVMRLPIQ-XQLAAWPRSA-N 3000469 BRD-K54634444-001-05-9 artesunate 0 100 MicroSource 1504829 ARTESUNATE 384.178 C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(O)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 FIHJKUPKCHIPAT-AHIGJZGOSA-N 6917864 BRD-K17944737-001-02-1 BRD-K54634444-001-04-2 artesunate 0 99.56 Selleck S2265 Artesunate 384.178 C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(O)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 FIHJKUPKCHIPAT-AHIGJZGOSA-N 6917864 BRD-K65768634-001-01-1 BRD-A70514680-003-12-9 articaine 0 91.48 MedChemEx HY-B0516 Articaine (hydrochloride) 284.119 CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC |&1:4| QTGIAADRBBLJGA-VIFPVBQESA-N 6604377 BRD-A70514680-003-11-2 articaine 0 90.48 Selleck S3150 Articaine HCl 284.119 CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC |&1:4| QTGIAADRBBLJGA-VIFPVBQESA-N 6604377 BRD-K49223707-001-01-0 arundic-acid 0 17.19 Tocris 4530 (2R)-2-propyloctanoic acid 186.162 CCCCCC[C@@H](CCC)C(O)=O YCYMCMYLORLIJX-SNVBAGLBSA-N 208925 BRD-A00047421-001-01-7 ARV-825 0 96.88 MedChemEx HY-16954 ARV-825 922.288 "Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4C(=O)N([C@H]5CCC(=O)NC5=O)C(=O)c34)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |a:9,&1:39,c:8|" RWLOGRLTDKDANT-ZPGRZCPFSA-N 124870683 BRD-K07656463-001-01-5 AS-1269574 0 97.58 Tocris 4177 AS 1269574 307.032 Cc1cc(NCCO)nc(n1)-c1ccc(Br)cc1 DUKPGOOUJNUIOI-UHFFFAOYSA-N 5332859 BRD-K07656463-001-02-9 AS-1269574 0 95.46 Tocris 4177 AS 1269574 307.032 Cc1cc(NCCO)nc(n1)-c1ccc(Br)cc1 DUKPGOOUJNUIOI-UHFFFAOYSA-N 5332859 BRD-K27051047-001-02-9 AS-1892802 0 96.36 Tocris 4927 AS 1892802 333.148 OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 WDTFYYZHMRBVHK-LJQANCHMSA-N 46911016 BRD-K27051047-001-01-0 AS-1892802 0 98.94 Tocris 4927 AS 1892802 333.148 OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 WDTFYYZHMRBVHK-LJQANCHMSA-N 46911016 BRD-K61936403-001-02-5 AS-1949490 0 97.1 Tocris 3718 AS 1949490 371.075 C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1 RFZPGNRLOKVZJY-AWEZNQCLSA-N 44473434 BRD-K61936403-001-01-7 AS-1949490 0 98.99 Tocris 3718 AS 1949490 371.075 C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1 RFZPGNRLOKVZJY-AWEZNQCLSA-N 44473434 BRD-K75254015-001-02-9 AS-2034178 0 95.79 Tocris 5035 AS 2034178 448.216 OC(=O)CCc1ccc(NCc2cccc3N(CCOc4ccccc4)CCCc23)cc1F VENOXIKBBUVHRY-UHFFFAOYSA-N 24808572 BRD-K75254015-001-01-9 AS-2034178 0 94.69 Tocris 5035 AS 2034178 448.216 OC(=O)CCc1ccc(NCc2cccc3N(CCOc4ccccc4)CCCc23)cc1F VENOXIKBBUVHRY-UHFFFAOYSA-N 24808572 BRD-K73565918-003-01-4 AS-2444697 0 92.16 Tocris 5430 AS 2444697 396.155 Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 JANBIXNDYNRYQP-UHFFFAOYSA-N 52913874 BRD-K73565918-003-02-9 AS-2444697 0 97.27 Tocris 5430 AS 2444697 396.155 Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 JANBIXNDYNRYQP-UHFFFAOYSA-N 52913874 BRD-K14988953-001-04-4 AS-252424 0 82.97 Selleck S2671 AS-252424 305.016 Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1 OYYVWNDMOQPMGE-SDQBBNPISA-N 11630874 BRD-K14988953-001-03-6 AS-252424 0 74.6 Selleck S2671 AS-252424 305.016 Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1 OYYVWNDMOQPMGE-SDQBBNPISA-N 11630874 BRD-K63915849-001-03-7 AS-604850 0 94.13 Selleck S2681 AS-604850 284.991 FC1(F)Oc2ccc(\C=C3/SC(=O)NC3=O)cc2O1 SRLVNYDXMUGOFI-YWEYNIOJSA-N 5287855 BRD-K89014967-001-05-9 AS-703026 0 97.12 MedChemEx HY-12042 Pimasertib 431.014 OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F VIUAUNHCRHHYNE-JTQLQIEISA-N 44187362 BRD-K89014967-001-04-3 AS-703026 0 97.03 Selleck S1475 Pimasertib (AS-703026) 431.014 OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F VIUAUNHCRHHYNE-JTQLQIEISA-N 44187362 BRD-K62427771-001-02-9 AS-77 0 97.74 MedChemEx HY-10015 PAP-1 350.115 O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 KINMYBBFQRSVLL-UHFFFAOYSA-N 11302540 BRD-K62427771-001-01-0 AS-77 0 99.13 MedChemEx HY-10015 PAP-1 350.115 O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 KINMYBBFQRSVLL-UHFFFAOYSA-N 11302540 BRD-K27938825-001-04-9 ASA-404 0 92.48 MedChemEx HY-10964 Vadimezan 282.089 Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C XGOYIMQSIKSOBS-UHFFFAOYSA-N 123964 BRD-K27938825-001-02-4 ASA-404 0 95.25 Selleck S1537 DMXAA (Vadimezan) 282.089 Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C XGOYIMQSIKSOBS-UHFFFAOYSA-N 123964 BRD-K00003230-001-01-9 asapiprant 0 97.14 MedChemEx HY-16763 Asapiprant 501.157 CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(-c2ncco2)c(OCC(O)=O)c1 ZMZNWNTZRWXTJU-UHFFFAOYSA-N 59232326 BRD-K88219015-001-11-9 asaraldehyde 0 93.79 MedChemEx HY-100580 Asaraldehyde 196.074 COc1cc(OC)c(C=O)cc1OC IAJBQAYHSQIQRE-UHFFFAOYSA-N 20525 BRD-K88219015-001-10-8 asaraldehyde 0 95.62 Selleck S2531 Asaraldehyde 196.074 COc1cc(OC)c(C=O)cc1OC IAJBQAYHSQIQRE-UHFFFAOYSA-N 20525 BRD-K30331124-001-04-9 ASC-J9 0 86.89 Sigma MFCD28964095 "(1E,4E,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one" 396.157 COc1ccc(\C=C\C(O)=CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC ZMGUKFHHNQMKJI-URFDALOKSA-N 74891315 BRD-K30331124-001-01-7 ASC-J9 0 89.77 MedChemEx HY-15194 ASC-J9 396.157 COc1ccc(\C=C\C(O)=CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC ZMGUKFHHNQMKJI-URFDALOKSA-N 74891315 BRD-K30331124-001-03-3 ASC-J9 0 91.45 MedChemEx HY-15194 ASC-J9 396.157 COc1ccc(\C=C\C(O)=CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC ZMGUKFHHNQMKJI-URFDALOKSA-N 74891315 BRD-K30331124-001-02-5 ASC-J9 0 68.87 Adooq A11300 "(1E,4E,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one" 396.157 COc1ccc(\C=C\C(O)=CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC ZMGUKFHHNQMKJI-URFDALOKSA-N 74891315 BRD-K00003456-001-01-9 asciminib 0 98.07 MedChemEx HY-104010 Asciminib 449.107 O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 VOVZXURTCKPRDQ-CQSZACIVSA-N 72165228 BRD-K88882192-001-03-3 ascomycin 0 100 Selleck S7411 Ascomycin (FK520) 791.482 CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3| ZDQSOHOQTUFQEM-MONOPTSESA-N 134129697 BRD-A85242401-001-11-5 ascorbic-acid 0 33.8 MedChemEx HY-B0166 L-Ascorbic acid 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-A85242401-001-10-7 ascorbic-acid 0 0 MedChemEx HY-B0166 L-Ascorbic acid 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-A85242401-001-09-9 ascorbic-acid 0 0 Sigma 95209 "(5R)-5-((S)-1,2-dihydroxyethyl)-4-hydroxydihydrofuran-2,3-dione" 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-A85242401-001-12-3 ascorbic-acid 0 100 MicroSource 1502230 ASCORBIC ACID 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-A08112603-001-04-5 BRD-A85242401-001-05-7 ascorbic-acid 0 0 Selleck S3114 Vitamin C 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-A85242401-001-07-3 ascorbic-acid 0 0 Selleck S3114 Vitamin C (Ascorbic acid) 176.032 "OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:2,4,&1:10|" KRGQEOSDQHTZMX-TXQLHFEISA-N BRD-K00003551-050-01-9 asenapine 0 93.71 MedChemEx HY-11100 Asenapine (maleate) 285.092 "[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21 |&1:1,6|" VSWBSWWIRNCQIJ-HUUCEWRRSA-N 163091 BRD-K00003551-050-02-9 asenapine 0 94.5 Tocris 3737 Asenapine maleate 285.092 "[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21 |&1:1,6|" VSWBSWWIRNCQIJ-HUUCEWRRSA-N 163091 BRD-K35079116-001-02-5 asiatic-acid 0 92.85 Selleck S2266 Asiatic acid 488.35 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| JXSVIVRDWWRQRT-UYDOISQJSA-N 119034 BRD-K35079116-001-03-3 asiatic-acid 0 84.94 Selleck S2266 Asiatic Acid 488.35 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| JXSVIVRDWWRQRT-UYDOISQJSA-N 119034 BRD-K88350560-001-01-9 BRD-K35079116-001-04-1 asiatic-acid 0 85.05 Selleck S2266 Asiatic acid 488.35 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| JXSVIVRDWWRQRT-UYDOISQJSA-N 119034 BRD-K00003477-001-01-9 asimadoline 0 90.34 MedChemEx HY-107384 Asimadoline 414.231 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 JHLHNYVMZCADTC-LOSJGSFVSA-N 179340 BRD-K00003138-001-01-9 asivatrep 0 90.4 MedChemEx HY-12777 Asivatrep 491.13 CCCc1nc(ccc1\C=C\C(=O)N[C@H](C)c1cc(F)c(NS(C)(=O)=O)c(F)c1)C(F)(F)F UKGJZDSUJSPAJL-YPUOHESYSA-N 56649347 BRD-K07150325-001-02-5 ASP-2535 0 93.17 Tocris 5308 ASP 2535 382.154 CC(C)c1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc2nonc12 FQGLDGKVKDPVLO-UHFFFAOYSA-N 9800113 BRD-K07150325-001-01-7 ASP-2535 0 98.79 Tocris 5308 "4-(3-isopropyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzo[c][1,2,5]oxadiazole" 382.154 CC(C)c1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc2nonc12 FQGLDGKVKDPVLO-UHFFFAOYSA-N 9800113 BRD-K82239282-001-02-9 ASP-6537 0 95.01 AMS Q69277 "3-methoxy-1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazole" 311.127 COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 OBAICMYWONZOSZ-UHFFFAOYSA-N 9922739 BRD-K00003301-001-01-9 ASP-9521 0 84.47 MedChemEx HY-19903 ASP-9521 330.194 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 OXSCPDKUZWPWFR-UHFFFAOYSA-N 25210792 BRD-K06542892-001-03-9 ASP3026 0 92.22 Tocris 5310 ASP 3026 580.294 COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 MGGBYMDAPCCKCT-UHFFFAOYSA-N 25134326 BRD-K06542892-001-02-7 ASP3026 0 94.84 Tocris 5310 ASP 3026 580.294 COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 MGGBYMDAPCCKCT-UHFFFAOYSA-N 25134326 BRD-K06542892-001-01-9 ASP3026 0 95.38 MedChemEx HY-13326 ASP3026 580.294 COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 MGGBYMDAPCCKCT-UHFFFAOYSA-N 25134326 BRD-K78841970-001-12-0 aspartame 0 17.78 MicroSource 1505306 ASPARTAME 294.122 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O IAOZJIPTCAWIRG-QWRGUYRKSA-N 6992066 BRD-K78841970-001-14-6 aspartame 0 85.8 Sigma A1320000 (3S)-3-amino-4-{[(1S)-1-benzyl-2-methoxy-2-oxoethyl]amino}-4-oxobutanoic acid 294.122 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O IAOZJIPTCAWIRG-QWRGUYRKSA-N 6992066 BRD-K78841970-001-13-8 aspartame 0 83.92 Selleck S2036 Aspartame 294.122 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O IAOZJIPTCAWIRG-QWRGUYRKSA-N 6992066 BRD-K78841970-001-11-2 aspartame 0 14.47 Selleck S2036 Aspartame 294.122 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O IAOZJIPTCAWIRG-QWRGUYRKSA-N 6992066 BRD-K11433652-001-23-8 aspirin 0 0 Tocris 4092 Aspirin 180.042 CC(=O)Oc1ccccc1C(O)=O BSYNRYMUTXBXSQ-UHFFFAOYSA-N 2244 BRD-K11433652-001-17-0 aspirin 0 99.34 MicroSource 1500130 ASPIRIN 180.042 CC(=O)Oc1ccccc1C(O)=O BSYNRYMUTXBXSQ-UHFFFAOYSA-N 2244 BRD-K11433652-001-16-2 aspirin 0 0 Selleck S3017 Aspirin 180.042 CC(=O)Oc1ccccc1C(O)=O BSYNRYMUTXBXSQ-UHFFFAOYSA-N 2244 BRD-K11433652-001-18-8 aspirin 0 0 Selleck S3017 Aspirin (Acetylsalicylic acid) 180.042 CC(=O)Oc1ccccc1C(O)=O BSYNRYMUTXBXSQ-UHFFFAOYSA-N 2244 BRD-K26838195-075-05-9 AST-1306 0 83.37 MedChemEx HY-13427 Allitinib tosylate 448.11 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc2Cl)c1 MVZGYPSXNDCANY-UHFFFAOYSA-N 24739943 BRD-K26838195-075-04-9 AST-1306 0 97.14 Selleck S2185 AST-1306 448.11 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc2Cl)c1 MVZGYPSXNDCANY-UHFFFAOYSA-N 24739943 BRD-K51832961-001-01-4 astaxanthin 0 26.68 Cayman 70685 596.387 "C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C |c:9,34|" MQZIGYBFDRPAKN-UWFIBFSHSA-N 5281224 BRD-K37249724-001-25-7 astemizole 0 97.58 MicroSource 2300094 ASTEMIZOLE 458.248 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 GXDALQBWZGODGZ-UHFFFAOYSA-N 2247 BRD-K37249724-001-28-1 astemizole 0 98.54 Tocris 3489 Astemizole 458.248 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 GXDALQBWZGODGZ-UHFFFAOYSA-N 2247 BRD-K37249724-001-24-0 astemizole 0 97.19 Tocris 3489 Astemizole 458.248 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 GXDALQBWZGODGZ-UHFFFAOYSA-N 2247 BRD-K44845912-001-02-9 astilbin 0 96.64 MedChemEx HY-N0509 Astilbin 450.116 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O ZROGCCBNZBKLEL-MPRHSVQHSA-N 119258 BRD-K08188887-001-03-9 astragaloside-a 0 100 MedChemEx HY-N0099 Astragaloside A 784.461 CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C QMNWISYXSJWHRY-AUJDEUPOSA-N 13943299 BRD-K08188887-001-02-4 astragaloside-a 0 100 Selleck S2415 Astragaloside A 784.461 CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C QMNWISYXSJWHRY-AUJDEUPOSA-N 13943299 BRD-K56653660-001-01-3 BRD-K00003508-001-01-9 ASTX660 0 92.43 MedChemEx HY-109565 ASTX660 539.327 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 YCXOHEXZVKOGEV-DNRQZRRGSA-N 118169620 BRD-K87028197-001-01-3 asunaprevir 0 97.98 MedChemEx HY-14434 Asunaprevir 747.27 COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 XRWSZZJLZRKHHD-WVWIJVSJSA-N 16076883 BRD-K87028197-001-02-9 asunaprevir 0 97.63 MedChemEx HY-14434 Asunaprevir 747.27 COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 XRWSZZJLZRKHHD-WVWIJVSJSA-N 16076883 BRD-K36269323-300-02-6 asymmetrical-dimethylarginine 0 100 EMDBio 311203-25MG "NG,NG-Dimethyl-L-arginine, Dihydrochloride" 202.143 CN(C)C(=N)NCCC[C@H](N)C(O)=O YDGMGEXADBMOMJ-LURJTMIESA-N 123831 BRD-K06496777-003-02-9 AT-1015 0 95.2 Tocris 4468 AT 1015 455.257 O=CN1CCC(CC1)C(=O)NCCN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:29| BSPMYKLEFGUTSI-UHFFFAOYSA-N 9805664 BRD-K06496777-003-01-4 AT-1015 0 77.53 Tocris 4468 AT 1015 455.257 O=CN1CCC(CC1)C(=O)NCCN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:29| BSPMYKLEFGUTSI-UHFFFAOYSA-N 9805664 BRD-K83030136-001-02-9 AT-406 0 93.59 Adooq A11163 AT406 561.332 CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C LSXUTRRVVSPWDZ-MKKUMYSQSA-N 25022340 BRD-K13390322-001-07-9 AT-7519 0 62.94 MedChemEx HY-50940 AT7519 381.076 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 OVPNQJVDAFNBDN-UHFFFAOYSA-N 11338033 BRD-K13390322-001-06-3 AT-7519 0 92.34 Selleck S1524 AT7519 381.076 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 OVPNQJVDAFNBDN-UHFFFAOYSA-N 11338033 BRD-K24576554-001-04-8 AT-9283 0 93.76 Selleck S1134 AT9283 381.191 O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 LOLPPWBBNUVNQZ-UHFFFAOYSA-N 135398495 BRD-K24576554-001-05-5 AT-9283 0 Adooq A10095 "(Z)-1-cyclopropyl-3-(3-(5-(morpholinomethyl)-2H-benzo[d]imidazol-2-ylidene)-2,3-dihydro-1H-pyrazol-4-yl)urea" 381.191 O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 "InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)" 135398495 BRD-K32127727-001-02-6 AT13148 0 76.52 MedChemEx HY-16071 (S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethan-1-ol 313.098 NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 IIRWNGPLJQXWFJ-KRWDZBQOSA-N 24905401 BRD-K32127727-001-03-4 AT13148 0 91.13 MedChemEx HY-16071 AT13148 313.098 NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 IIRWNGPLJQXWFJ-KRWDZBQOSA-N 24905401 BRD-K32127727-001-04-2 AT13148 0 90.23 Selleck S7563 AT13148 313.098 NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 IIRWNGPLJQXWFJ-KRWDZBQOSA-N 24905401 BRD-A77091532-001-01-9 BRD-K32127727-001-01-8 AT13148 0 74.21 MedChemEx HY-16071 AT13148 313.098 NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 IIRWNGPLJQXWFJ-KRWDZBQOSA-N 24905401 BRD-K58435339-001-06-3 AT13387 0 81.89 Selleck S1163 Onalespib (AT13387) 409.237 CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O IFRGXKKQHBVPCQ-UHFFFAOYSA-N 11955716 BRD-K58435339-001-03-0 AT13387 0 92.6 Selleck S1163 AT13387 409.237 CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O IFRGXKKQHBVPCQ-UHFFFAOYSA-N 11955716 BRD-K12040459-001-07-8 AT7867 0 92.8 Selleck S1558 AT7867 337.135 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 LZMOSYUFVYJEPY-UHFFFAOYSA-N 11175137 BRD-K12040459-001-06-0 AT7867 0 88.68 Selleck S1558 AT7867 337.135 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 LZMOSYUFVYJEPY-UHFFFAOYSA-N 11175137 BRD-K94830329-001-04-9 ataluren 0 97.8 MedChemEx HY-14832 Ataluren 284.06 OC(=O)c1cccc(c1)-c1noc(n1)-c1ccccc1F OOUGLTULBSNHNF-UHFFFAOYSA-N 11219835 BRD-K94830329-001-03-0 ataluren 0 97.28 Selleck S6003 Ataluren (PTC124) 284.06 OC(=O)c1cccc(c1)-c1noc(n1)-c1ccccc1F OOUGLTULBSNHNF-UHFFFAOYSA-N 11219835 BRD-K09757388-065-05-9 atazanavir 0 97.98 MedChemEx HY-17367A Atazanavir (sulfate) 704.39 COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C AXRYRYVKAWYZBR-GASGPIRDSA-N 148192 BRD-K09757388-065-04-0 atazanavir 0 97.57 Selleck S1457 Atazanavir Sulfate 704.39 COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C AXRYRYVKAWYZBR-GASGPIRDSA-N 148192 BRD-A52551912-001-02-9 ATB-346 0 94.79 MedChemEx HY-15028 ATB-346 365.109 "COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)Oc1ccc(cc1)C(N)=S |&1:12,r|" YCNMAPLPQYQJFC-CYBMUJFWSA-N 76963724 BRD-A52551912-001-01-1 ATB-346 0 57.44 MedChemEx HY-15028 ATB-346 365.109 "COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)Oc1ccc(cc1)C(N)=S |&1:12,r|" YCNMAPLPQYQJFC-CYBMUJFWSA-N 76963724 BRD-K44993696-001-13-1 atenolol-(-) 0 92.98 Sigma MFCD00074918 2-(4-{[(2S)-2-hydroxy-3-(isopropylamino)propyl]oxy}phenyl)acetamide 266.163 CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 METKIMKYRPQLGS-LBPRGKRZSA-N 175540 BRD-K44993696-001-12-3 atenolol-(-) 0 80.37 Tocris 393 (S)-(-)-Atenolol 266.163 CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 METKIMKYRPQLGS-LBPRGKRZSA-N 175540 BRD-K68075732-001-11-8 atenolol-(+) 0 81.19 Selleck S4301 (R)-(+)-Atenolol 266.163 CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 METKIMKYRPQLGS-GFCCVEGCSA-N 180559 BRD-A20239487-001-25-6 atenolol-(+/-) 0 78 MicroSource 1501127 ATENOLOL 266.163 "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 |&1:5,r|" METKIMKYRPQLGS-GFCCVEGCSA-N 180559 BRD-A20239487-001-24-9 atenolol-(+/-) 0 85.31 Tocris 387 (RS)-Atenolol 266.163 "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 |&1:5,r|" METKIMKYRPQLGS-GFCCVEGCSA-N 180559 BRD-K43363084-001-01-3 atglistatin 0 88.05 Selleck S7364 Atglistatin 283.168 CN(C)C(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C AWOPBSAJHCUSAS-UHFFFAOYSA-N 71699712 BRD-K43363084-001-02-1 atglistatin 0 89.13 Selleck S7364 Atglistatin 283.168 CN(C)C(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C AWOPBSAJHCUSAS-UHFFFAOYSA-N 71699712 BRD-K43363084-001-03-9 atglistatin 0 91.11 MedChemEx HY-15859 Atglistatin 283.168 CN(C)C(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C AWOPBSAJHCUSAS-UHFFFAOYSA-N 71699712 BRD-K00003342-001-01-9 aticaprant 0 96.33 MedChemEx HY-101718 Aticaprant 418.206 Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 ZHPMYDSXGRRERG-DEOSSOPVSA-N 44129648 BRD-K39252998-003-02-3 atipamezole 0 89.75 Tocris 2937 Atipamezole hydrochloride 212.131 CCC1(Cc2ccccc2C1)c1cnc[nH]1 HSWPZIDYAHLZDD-UHFFFAOYSA-N 71310 BRD-K39252998-003-01-5 atipamezole 0 99.36 MedChemEx HY-12380 Atipamezole (hydrochloride) 212.131 CCC1(Cc2ccccc2C1)c1cnc[nH]1 HSWPZIDYAHLZDD-UHFFFAOYSA-N 71310 BRD-K39252998-003-03-9 atipamezole 0 91.37 Tocris 2937 Atipamezole hydrochloride 212.131 CCC1(Cc2ccccc2C1)c1cnc[nH]1 HSWPZIDYAHLZDD-UHFFFAOYSA-N 71310 BRD-K38527262-300-01-0 atiprimod 0 100 Tocris 4580 "3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-diethylpropan-1-amine dihydrochloride" 336.35 CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 SERHTTSLBVGRBY-UHFFFAOYSA-N 129869 BRD-K76614248-001-01-2 atizoram 0 97.53 Cayman 13183 "5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydro-2(1H)-pyrimidinone" 316.179 COc1ccc(cc1O[C@H]1C[C@@H]2CC[C@H]1C2)C1CNC(=O)NC1 LITNEAPWQHVPOK-FFSVYQOJSA-N 9861730 BRD-K76614248-001-02-9 atizoram 0 Tocris 2729 CP-80633 316.179 COc1ccc(cc1O[C@H]1C[C@@H]2CC[C@H]1C2)C1CNC(=O)NC1 LITNEAPWQHVPOK-FFSVYQOJSA-N 9861730 BRD-K00521308-019-01-9 ATN-161 0 93.15 MedChemEx HY-13535A ATN-161 (trifluoroacetate salt) 597.233 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O MMHDBUJXLOFTLC-WOYTXXSLSA-N 9960285 BRD-K00521308-019-03-5 ATN-161 0 87.94 MedChemEx HY-13535A ATN-161 (trifluoroacetate salt) 597.233 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O MMHDBUJXLOFTLC-WOYTXXSLSA-N 9960285 BRD-K20141153-001-01-6 atomoxetine 0 0 MicroSource 1505385 ATOMOXETINE HYDROCHLORIDE 255.162 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 VHGCDTVCOLNTBX-QGZVFWFLSA-N 54841 BRD-K20141153-003-14-9 atomoxetine 0 92.15 Tocris 2011 Tomoxetine hydrochloride 255.162 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 VHGCDTVCOLNTBX-QGZVFWFLSA-N 54841 BRD-K20141153-003-12-9 atomoxetine 0 96.75 Selleck S3175 Atomoxetine HCl 255.162 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 VHGCDTVCOLNTBX-QGZVFWFLSA-N 54841 BRD-K20141153-003-13-7 atomoxetine 0 97.04 Tocris 2011 Tomoxetine hydrochloride 255.162 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 VHGCDTVCOLNTBX-QGZVFWFLSA-N 54841 BRD-K69726342-238-05-9 atorvastatin 0 87.24 Pharmeks PHAR261720 "calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}" 558.253 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 XUKUURHRXDUEBC-KAYWLYCHSA-N 60823 BRD-K69726342-238-03-2 atorvastatin 0 98.24 Tocris 3776 Atorvastatin hemicalcium salt 558.253 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 XUKUURHRXDUEBC-KAYWLYCHSA-N 60823 BRD-M94983326-238-03-6 BRD-K69726342-001-03-4 atorvastatin 0 95.77 MicroSource 1503722 ATORVASTATIN CALCIUM 558.253 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 XUKUURHRXDUEBC-KAYWLYCHSA-N 60823 BRD-K69726342-238-02-4 atorvastatin 0 97.04 Selleck S2077 Atorvastatin Calcium 558.253 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 XUKUURHRXDUEBC-KAYWLYCHSA-N 60823 BRD-M94983326-238-02-8 BRD-A85261566-001-02-5 atosiban 0 56.62 MedChemEx HY-17572 Atosiban 993.441 "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |a:8,17,21,33,37,41,50,54,&1:29|" VWXRQYYUEIYXCZ-ZJBFWUDNSA-N BRD-A85261566-001-03-3 atosiban 0 75.28 MedChemEx HY-17572 Atosiban 993.441 "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |a:8,17,21,33,37,41,50,54,&1:29|" VWXRQYYUEIYXCZ-ZJBFWUDNSA-N BRD-A85261566-001-01-7 atosiban 0 41.11 MedChemEx HY-17572 Atosiban 993.441 "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |a:8,17,21,33,37,41,50,54,&1:29|" VWXRQYYUEIYXCZ-ZJBFWUDNSA-N BRD-A19795905-001-08-0 atovaquone 0 97.44 MicroSource 1504210 ATOVAQUONE 366.102 "Clc1ccc(cc1)[C@H]1CC[C@@H](CC1)[C@H]1C(=O)C(=O)c2ccccc2C1=O |a:7,10,&1:13,wU:7.7,wD:10.14,13.15,(-11.75,6.01,;-10.68,5.39,;-10.68,3.85,;-9.35,3.08,;-8.02,3.85,;-8.01,5.39,;-9.35,6.16,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,)|" UYFLKEIEOREOFC-ZXYWRSMDSA-N BRD-A19795905-001-07-2 atovaquone 0 94.46 Selleck S3079 Atovaquone 366.102 "Clc1ccc(cc1)[C@H]1CC[C@@H](CC1)[C@H]1C(=O)C(=O)c2ccccc2C1=O |a:7,10,&1:13,wU:7.7,wD:10.14,13.15,(-11.75,6.01,;-10.68,5.39,;-10.68,3.85,;-9.35,3.08,;-8.02,3.85,;-8.01,5.39,;-9.35,6.16,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,)|" UYFLKEIEOREOFC-ZXYWRSMDSA-N BRD-A65145453-001-07-9 ATPA 0 95.4 Tocris 1107 3-(5-tert-butyl-3-hydroxy-4-isoxazolyl)alanine 228.111 "CC(C)(C)c1o[nH]c(=O)c1C[C@@H](N)C(O)=O |&1:11,r|" PIXJURSCCVBKRF-ZCFIWIBFSA-N 11345201 BRD-A65145453-001-06-1 ATPA 0 75.25 Tocris 1107 ATPA 228.111 "CC(C)(C)c1o[nH]c(=O)c1C[C@@H](N)C(O)=O |&1:11,r|" PIXJURSCCVBKRF-ZCFIWIBFSA-N 11345201 BRD-K00003732-001-01-9 atractylenolide-i 0 39.48 MedChemEx HY-N0201 Atractylenolide I 230.131 "[H][C@@]12CC3=C(C)C(=O)OC3=C[C@@]1(C)CCCC2=C |c:3,10|" ZTVSGQPHMUYCRS-SWLSCSKDSA-N 5321018 BRD-K01826774-344-07-9 atracurium 0 68.11 MedChemEx HY-B0292A Atracurium (besylate) 928.509 "COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC |&1:7,&2:20,&3:37,&4:51|" YXSLJKQTIDHPOT-MWAPPURBSA-N 73416109 BRD-K16295392-003-01-3 atrasentan 0 97.8 MedChemEx HY-15403A Atrasentan (hydrochloride) 510.273 CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 MOTJMGVDPWRKOC-QPVYNBJUSA-N 159594 BRD-K01825666-330-02-9 atropine 0 97.48 MicroSource 1500131 ATROPINE SULFATE 405.146 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" RKUNBYITZUJHSG-JJXSEGSLSA-N BRD-A93739713-065-04-3 BRD-K01825666-001-03-9 atropine 0 96.01 MedChemEx HY-B1205 Atropine 289.168 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" RKUNBYITZUJHSG-JJXSEGSLSA-N BRD-K01825666-330-01-9 atropine 0 93.85 Selleck S2130 Atropine 405.146 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" RKUNBYITZUJHSG-JJXSEGSLSA-N BRD-A27290375-065-01-3|BRD-M93222215-330-02-1 BRD-K00004526-001-01-9 atropine-oxide 0 100 Sigma MFCD03939063 (-)-HYOSCYAMINE-N-OXIDE HYDROCHLORIDE 305.163 "C[N@@+]1([O-])[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 |&1:3,6,8,&2:1,&3:13|" HGWPFSBHDACWNL-JFBPSJKJSA-N BRD-K00003144-001-01-9 atuveciclib 0 97.73 MedChemEx HY-12871B Atuveciclib 387.117 COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1 ACWKGTGIJRCOOM-HHHXNRCGSA-N 121488167 BRD-K45995181-001-06-9 auranofin 1 0 MedChemEx HY-B1123 678.133 CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O AUJRCFUBUPVWSZ-XTZHGVARSA-M 6918453 BRD-U68276368-000-01-4 BRD-K45995181-001-04-6 auranofin 0 73.57 Selleck S4307 Auranofin 678.133 CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O AUJRCFUBUPVWSZ-XTZHGVARSA-M 6918453 BRD-A28431708-001-01-5 BRD-K45995181-001-05-3 auranofin 1 0 MedChemEx HY-B1123 Auranofin 678.133 CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O AUJRCFUBUPVWSZ-XTZHGVARSA-M 6918453 BRD-K63171558-001-01-2 BRD-K53561341-001-09-1 aurora-a-inhibitor-i 0 99.42 Tocris 5286 TC-S 7010 587.221 CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 AKSIZPIFQAYJGF-UHFFFAOYSA-N 44139710 BRD-K53561341-001-07-5 aurora-a-inhibitor-i 0 97.07 Selleck S1451 Aurora A Inhibitor I 587.221 CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 AKSIZPIFQAYJGF-UHFFFAOYSA-N 44139710 BRD-K00003601-001-01-9 aurothioglucose 0 0 MedChemEx HY-A0068 Aurothioglucose 391.999 OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O XHVAWZZCDCWGBK-WYRLRVFGSA-M 6916934 BRD-K00005330-001-01-9 AUT-1 0 97.89 MedChemEx HY-117639 AUT1 341.138 CC[C@H]1NC(=O)N(C1=O)c1ccc(Oc2ccc(C)c(OC)c2)nc1 AMAOXEGBJHLCSF-CQSZACIVSA-N 53230344 BRD-A94640958-001-01-7 autotaxin-modulator-1 0 97.37 MedChemEx HY-12812 Autotaxin modulator 1 543.221 "C[C@@H](N1[C@H]2CC[C@@H]1C[C@@H](C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |a:1,21,24,&1:3,&2:6,&3:8,wU:8.11,21.22,24.29,wD:1.0,3.2,6.6,(6.23,2.09,;5.61,1.02,;4.07,1.02,;3.25,-.38,;2.26,.16,;2.26,1.96,;3.29,2.4,;1.65,2.4,;.83,1.02,;1.62,-.38,;-.71,1.02,;-1.33,2.09,;-1.33,-.04,;6.38,-.31,;5.62,-1.65,;6.4,-2.98,;7.94,-2.98,;8.71,-4.31,;10.25,-4.31,;11.01,-2.97,;12.56,-2.97,;13.33,-4.31,;14.87,-4.31,;15.64,-5.64,;14.86,-6.98,;13.32,-6.97,;12.56,-5.64,;15.63,-8.31,;16.86,-8.31,;15.02,-9.38,;16.25,-9.38,;10.24,-1.64,;8.71,-1.65,;7.94,-.32,;11.01,-.31,;12.24,-.3,;10.39,.76,;11.62,.76,)|" PZASAAIJIFDWSB-PQGZPOPSSA-N BRD-K23190681-001-02-9 AV-412 0 96.98 Tocris 4397 AV 412 506.2 CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C ZAJXXUDARPGGOC-UHFFFAOYSA-N 9806229 BRD-K23190681-001-01-1 AV-412 0 94.87 MedChemEx HY-10346A AV-412 (free base) 506.2 CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C ZAJXXUDARPGGOC-UHFFFAOYSA-N 9806229 BRD-K96615647-001-02-9 AV-608 0 98.85 MedChemEx HY-18006 NKP608 619.146 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 NXLUTEDAEFXMQR-BJKOFHAPSA-N 9917079 BRD-K96615647-001-01-2 AV-608 0 99.39 MedChemEx HY-18006 NKP608 619.146 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 NXLUTEDAEFXMQR-BJKOFHAPSA-N 9917079 BRD-K00003256-001-01-9 avacopan 0 54.12 MedChemEx HY-17627 Avacopan 581.267 Cc1ccc(NC(=O)[C@H]2CCCN([C@H]2c2ccc(NC3CCCC3)cc2)C(=O)c2c(C)cccc2F)cc1C(F)(F)F PUKBOVABABRILL-YZNIXAGQSA-N 49841217 BRD-A88644406-001-02-9 avadomide 0 95.76 MedChemEx HY-100507 Avadomide 286.107 "Cc1nc2cccc(N)c2c(=O)n1[C@H]1CCC(=O)NC1=O |&1:13,r|" RSNPAKAFCAAMBH-JTQLQIEISA-N 24967954 BRD-K83720053-001-07-9 avagacestat 0 94.15 MedChemEx HY-50845 Avagacestat 520.06 NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 XEAOPVUAMONVLA-QGZVFWFLSA-N 46883536 BRD-K83720053-001-03-8 avagacestat 0 96.39 Selleck S1262 Avagacestat (BMS-708163) 520.06 NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 XEAOPVUAMONVLA-QGZVFWFLSA-N 46883536 BRD-K65781196-001-04-8 avanafil 0 53.08 MicroSource 1506321 AVANAFIL 483.179 COc1ccc(CNc2nc(ncc2C(=O)NCc2ncccn2)N2CCC[C@H]2CO)cc1Cl WEAJZXNPAWBCOA-INIZCTEOSA-N 9869929 BRD-K65781196-001-03-0 avanafil 0 92.35 Selleck S4019 Avanafil 483.179 COc1ccc(CNc2nc(ncc2C(=O)NCc2ncccn2)N2CCC[C@H]2CO)cc1Cl WEAJZXNPAWBCOA-INIZCTEOSA-N 9869929 BRD-K00003419-001-01-9 avapritinib 0 96.7 MedChemEx HY-101561 Avapritinib 498.24 Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 DWYRIWUZIJHQKQ-SANMLTNESA-N 118023034 BRD-K67901620-001-04-9 avasimibe 0 94.73 MedChemEx HY-13215 Avasimibe 501.291 CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C PTQXTEKSNBVPQJ-UHFFFAOYSA-N 166558 BRD-K67901620-001-03-8 avasimibe 0 96.76 Selleck S2187 Avasimibe (CI-1011) 501.291 CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C PTQXTEKSNBVPQJ-UHFFFAOYSA-N 166558 BRD-K67901620-001-02-0 avasimibe 0 86.86 Selleck S2187 Avasimibe 501.291 CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C PTQXTEKSNBVPQJ-UHFFFAOYSA-N 166558 BRD-K68544925-001-01-1 avatrombopag 0 95.01 MedChemEx HY-13463 Avatrombopag 648.151 OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(-c2cc(Cl)cs2)c(s1)N1CCN(CC1)C1CCCCC1 OFZJKCQENFPZBH-UHFFFAOYSA-N 9852519 BRD-K36154108-001-01-7 AVE-0991 0 93.56 MedChemEx HY-15778 AVE 0991 580.181 CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(C=O)c(OC)nc2-c2ccccc2)cc1 QTOZBSNPDCWHPV-UHFFFAOYSA-N 9851724 BRD-K36154108-001-02-9 AVE-0991 0 92.82 MedChemEx HY-15778 AVE 0991 580.181 CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(C=O)c(OC)nc2-c2ccccc2)cc1 QTOZBSNPDCWHPV-UHFFFAOYSA-N 9851724 BRD-K00004734-001-01-9 AVE-3085 0 97.28 MedChemEx HY-19504 AVE-3085 317.086 FC1(F)Oc2ccc(cc2O1)C(=O)NC1Cc2ccccc2C1 OKCJNSDIVCXYAL-UHFFFAOYSA-N 3510704 BRD-K00003435-003-01-9 AVex-73 0 91.52 MedChemEx HY-101864 AVex-73 hydrochloride 281.178 "CN(C)C[C@H]1CCOC1(c1ccccc1)c1ccccc1 |&1:4,r|" BOTHKNZTGGXFEQ-GOSISDBHSA-N 76968108 BRD-K85882401-323-01-5 avibactam 0 100 MedChemEx HY-14879B Avibactam (sodium hydrate) 265.037 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O NDCUAPJVLWFHHB-UHNVWZDZSA-N 9835049 BRD-K85882401-236-01-9 avibactam 0 98.4 MedChemEx HY-14879A Avibactam (sodium) 265.037 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O NDCUAPJVLWFHHB-UHNVWZDZSA-N 9835049 BRD-K85882401-236-02-7 avibactam 0 96.4 MedChemEx HY-14879A Avibactam (sodium) 265.037 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O NDCUAPJVLWFHHB-UHNVWZDZSA-N 9835049 BRD-K00003294-050-01-9 avitinib 0 91.08 MedChemEx HY-19816A Avitinib (maleate) 487.213 CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F UOFYSRZSLXWIQB-UHFFFAOYSA-N 72734520 BRD-K87782578-001-03-9 AVL-292 0 97.44 MedChemEx HY-18012 Spebrutinib 423.171 COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 KXBDTLQSDKGAEB-UHFFFAOYSA-N 59174488 BRD-K87782578-001-01-4 AVL-292 0 95.48 Selleck S7173 AVL-292 423.171 COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 KXBDTLQSDKGAEB-UHFFFAOYSA-N 59174488 BRD-K00003436-001-01-9 AVN-492 0 95.85 MedChemEx HY-101924 AVN-492 359.142 CNc1nn2c(C)c(N(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1 SNPPEHMSSOEYDH-UHFFFAOYSA-N 56655571 BRD-K62196610-001-01-6 AVN-944 0 99.41 MedChemEx HY-13560 AVN-944 477.201 CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 GYCPCOJTCINIFZ-OXJNMPFZSA-N 9918559 BRD-K62196610-001-02-9 AVN-944 0 98.88 MedChemEx HY-13560 AVN-944 477.201 CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 GYCPCOJTCINIFZ-OXJNMPFZSA-N 9918559 BRD-K14401183-001-12-9 avobenzone 0 77.6 MedChemEx HY-B0316 Avobenzone 310.157 COc1ccc(cc1)C(=O)C=C(O)c1ccc(cc1)C(C)(C)C LKIIIESDXWZZRE-UHFFFAOYSA-N BRD-K14401183-001-11-5 avobenzone 0 0 MicroSource 1504190 AVOBENZONE 310.157 COc1ccc(cc1)C(=O)C=C(O)c1ccc(cc1)C(C)(C)C LKIIIESDXWZZRE-UHFFFAOYSA-N BRD-K14401183-001-10-7 avobenzone 0 90.89 Selleck S1904 Avobenzone 310.157 COc1ccc(cc1)C(=O)C=C(O)c1ccc(cc1)C(C)(C)C LKIIIESDXWZZRE-UHFFFAOYSA-N BRD-K00003224-001-01-9 avoralstat 0 88.22 MedChemEx HY-16735 Avoralstat 513.201 COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(nc1C(O)=O)C(=O)NCC1CC1 TUWMKPVJGGWGNL-UHFFFAOYSA-N 86566678 BRD-K26665484-001-01-8 avridine 0 0 Sigma PZ0123 "2,2'-((3-(dioctadecylamino)propyl)azanediyl)bis(ethan-1-ol)" 666.7 CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO WXNRAKRZUCLRBP-UHFFFAOYSA-N 37186 BRD-K00003479-003-01-9 AX-024 0 94.57 MedChemEx HY-107390A AX-024 hydrochloride 339.163 COc1ccc2OCC(CN3CCCC3)=C(c3ccc(F)cc3)c2c1 |t:15| VMMKGVRPILDZML-UHFFFAOYSA-N 56949412 BRD-K29905972-001-10-5 axitinib 0 96.08 Selleck S1005 axitinib 386.12 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)[nH]nc2c1 RITAVMQDGBJQJZ-FMIVXFBMSA-N 6450551 BRD-K29905972-001-06-3 axitinib 0 93.31 Selleck S1005 Axitinib 386.12 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)[nH]nc2c1 RITAVMQDGBJQJZ-FMIVXFBMSA-N 6450551 BRD-K29905972-001-12-1 axitinib 0 95.86 Tocris 4350 Axitinib 386.12 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)[nH]nc2c1 RITAVMQDGBJQJZ-FMIVXFBMSA-N 6450551 BRD-K29905972-001-08-9 axitinib 0 89.66 Selleck S1005 Axitinib 386.12 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)[nH]nc2c1 RITAVMQDGBJQJZ-FMIVXFBMSA-N 6450551 BRD-K29905972-001-11-3 axitinib 0 92.1 Adooq A10103 N-methyl-2-({3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide 386.12 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)[nH]nc2c1 RITAVMQDGBJQJZ-FMIVXFBMSA-N 6450551 BRD-K77012840-300-02-9 AY-9944 0 93.27 Tocris 1639 AY 9944 dihydrochloride 390.163 Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |r| RZRPZWGIOOZIBE-IYARVYRRSA-N BRD-K77012840-300-01-6 AY-9944 0 94.24 Tocris 1639 AY 9944 dihydrochloride 390.163 Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |r| RZRPZWGIOOZIBE-IYARVYRRSA-N BRD-K36258877-001-04-9 AZ-10417808 0 97.36 Tocris 2172 AZ 10417808 433.034 [O-][N+](=O)c1cc(C(=O)NCC=C)c2[nH]c(Nc3ccc(Cl)c(Cl)c3)nc(=O)c2c1 VUBILPOZTRGZJK-UHFFFAOYSA-N 135665263 BRD-K36258877-001-03-1 AZ-10417808 0 96.01 Tocris 2172 AZ 10417808 433.034 [O-][N+](=O)c1cc(C(=O)NCC=C)c2[nH]c(Nc3ccc(Cl)c(Cl)c3)nc(=O)c2c1 VUBILPOZTRGZJK-UHFFFAOYSA-N 135665263 BRD-K09907507-300-01-4 AZ-10606120 0 94.2 Tocris 3323 AZ 10606120 dihydrochloride 422.268 OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 FQMZXMVHHKXGTM-UHFFFAOYSA-N 10310632 BRD-K09907507-300-02-9 AZ-10606120 0 95.84 Tocris 3323 AZ 10606120 dihydrochloride 422.268 OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 FQMZXMVHHKXGTM-UHFFFAOYSA-N 10310632 BRD-K05973499-300-02-9 AZ-12080282 0 97.14 Tocris 4838 AZ 12080282 dihydrochloride 384.159 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 KMSKKYBHDQYHMC-UHFFFAOYSA-N 25253556 BRD-K05973499-300-01-0 AZ-12080282 0 97.72 Tocris 4838 AZ 12080282 dihydrochloride 384.159 Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1 KMSKKYBHDQYHMC-UHFFFAOYSA-N 25253556 BRD-K05804044-001-12-8 AZ-628 0 94.27 Selleck S2746 AZ-628 451.201 Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZGBGPEDJXCYQPH-UHFFFAOYSA-N 11676786 BRD-K05804044-001-06-0 AZ-628 0 86.4 Selleck S2746 AZ 628 451.201 Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZGBGPEDJXCYQPH-UHFFFAOYSA-N 11676786 BRD-K05804044-001-14-4 AZ-628 0 98.18 Tocris 4836 AZ 628 451.201 Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZGBGPEDJXCYQPH-UHFFFAOYSA-N 11676786 BRD-K05804044-001-09-4 AZ-628 0 92.9 Selleck S2746 AZ628 451.201 Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZGBGPEDJXCYQPH-UHFFFAOYSA-N 11676786 BRD-K14661019-001-02-9 AZ-7371 0 99.11 MedChemEx HY-19750 DprE1-IN-1 355.164 COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C VDRYGTNDKXIPSK-UHFFFAOYSA-N 72792692 BRD-K80935598-001-04-9 AZ191 0 97.06 Tocris 5232 AZ 191 429.228 COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 ZYVXTMKTGDARKR-UHFFFAOYSA-N 72716071 BRD-K80935598-001-02-9 AZ191 0 90.61 Tocris 5232 AZ 191 429.228 COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 ZYVXTMKTGDARKR-UHFFFAOYSA-N 72716071 BRD-K80935598-001-01-1 AZ191 0 92.78 Selleck S7338 AZ191 429.228 COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 ZYVXTMKTGDARKR-UHFFFAOYSA-N 72716071 BRD-K42436189-001-03-8 AZ20 0 98.44 Tocris 5198 AZ 20 412.157 C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O SCGCBAAYLFTIJU-CQSZACIVSA-N 46244454 BRD-K42436189-001-01-2 AZ20 0 97.81 Selleck S7050 AZ20 412.157 C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O SCGCBAAYLFTIJU-CQSZACIVSA-N 46244454 BRD-K59146805-001-04-5 AZ3146 0 93.84 Selleck S2731 AZ 3146 452.254 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 YUKWVHPTFRQHMF-UHFFFAOYSA-N 56973724 BRD-K59146805-001-03-7 AZ3146 0 75.56 Selleck S2731 AZ 3146 452.254 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 YUKWVHPTFRQHMF-UHFFFAOYSA-N 56973724 BRD-K59146805-001-05-2 AZ3146 0 94.31 Tocris 3994 AZ 3146 452.254 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 YUKWVHPTFRQHMF-UHFFFAOYSA-N 56973724 BRD-K76244476-362-02-5 AZ505 0 97.71 MedChemEx HY-15226A AZ505 (ditrifluoroacetate) 576.227 Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 LIBVHXXKHSODII-UHFFFAOYSA-N 24961094 BRD-K76244476-362-01-7 AZ505 0 87.42 MedChemEx HY-15226A AZ505 (ditrifluoroacetate) 576.227 Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 LIBVHXXKHSODII-UHFFFAOYSA-N 24961094 BRD-K81958169-001-01-1 AZ5104 0 79.95 Selleck S7298 AZ5104 485.254 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12 IQNVEOMHJHBNHC-UHFFFAOYSA-N 71496460 BRD-K00003515-003-01-9 AZ7550 0 95.84 MedChemEx HY-B0794A AZ7550 hydrochloride 485.254 CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C ZROCWKZRGJYPTG-UHFFFAOYSA-N 71496459 BRD-K64888243-001-05-9 AZ960 0 93.2 MedChemEx HY-10411 AZ960 354.14 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 SUNXHXDJOIXABJ-NSHDSACASA-N 25099184 BRD-K64888243-001-04-5 AZ960 0 94.66 Selleck S2214 AZ 960 354.14 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 SUNXHXDJOIXABJ-NSHDSACASA-N 25099184 BRD-K64888243-001-03-7 AZ960 0 90.05 Selleck S2214 AZ 960 354.14 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 SUNXHXDJOIXABJ-NSHDSACASA-N 25099184 BRD-K03406345-001-21-1 azacitidine 0 100 MicroSource 1502111 AZACITIDINE 244.081 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 NMUSYJAQQFHJEW-KVTDHHQDSA-N 9444 BRD-K03406345-001-24-5 azacitidine 0 93.17 Tocris 3842 5-Azacytidine 244.081 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 NMUSYJAQQFHJEW-KVTDHHQDSA-N 9444 BRD-K03406345-001-27-8 azacitidine 0 100 Selleck S1782 Azacitidine 244.081 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 NMUSYJAQQFHJEW-KVTDHHQDSA-N 9444 BRD-K55026842-001-01-4 BRD-K97061094-001-22-9 azacyclonol 0 84.05 MedChemEx HY-B0530 Azacyclonol 267.162 OC(C1CCNCC1)(c1ccccc1)c1ccccc1 ZMISODWVFHHWNR-UHFFFAOYSA-N 15723 BRD-K97061094-001-20-6 azacyclonol 0 71.47 Selleck S3196 Azacyclonol 267.162 OC(C1CCNCC1)(c1ccccc1)c1ccccc1 ZMISODWVFHHWNR-UHFFFAOYSA-N 15723 BRD-K97061094-001-21-4 azacyclonol 0 93.2 Selleck S3196 Azacyclonol 267.162 OC(C1CCNCC1)(c1ccccc1)c1ccccc1 ZMISODWVFHHWNR-UHFFFAOYSA-N 15723 BRD-K53114651-001-11-9 azaguanine-8 0 64.41 Selleck S4194 Azaguanine-8 152.045 Nc1nc2nn[nH]c2c(=O)[nH]1 LPXQRXLUHJKZIE-UHFFFAOYSA-N 135403646 BRD-K53114651-001-12-7 azaguanine-8 0 84.14 Selleck S4194 Azaguanine-8 152.045 Nc1nc2nn[nH]c2c(=O)[nH]1 LPXQRXLUHJKZIE-UHFFFAOYSA-N 135403646 BRD-K38292725-001-02-4 azalomycin-B 0 81.4 Selleck S1448 Elaiophylin 1024.597 "CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1 |t:32,34,42,44|" OSERMIPXNLXAPD-MJMYBOKFSA-N 6444206 BRD-K45861246-001-17-9 azaperone 0 89.04 MedChemEx HY-B1470 Azaperone 327.175 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1 XTKDAFGWCDAMPY-UHFFFAOYSA-N 15443 BRD-K45861246-001-14-2 azaperone 0 50.7 MicroSource 1505332 AZAPERONE 327.175 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1 XTKDAFGWCDAMPY-UHFFFAOYSA-N 15443 BRD-K45861246-001-13-4 azaperone 0 88.64 Selleck S4219 Azaperone 327.175 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1 XTKDAFGWCDAMPY-UHFFFAOYSA-N 15443 BRD-K45861246-001-15-9 azaperone 0 98.29 Selleck S4219 Azaperone 327.175 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1 XTKDAFGWCDAMPY-UHFFFAOYSA-N 15443 BRD-A70182876-001-11-9 azapropazone 0 98.31 Broad Institute 534 azapropazone 300.159 "CCC[C@H]1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C |r,c:19|" MPHPHYZQRGLTBO-LLVKDONJSA-N 6604340 BRD-A70182876-001-10-8 azapropazone 0 0 Prestwick Prestw-1003 Azapropazone 300.159 "CCC[C@H]1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C |r,c:19|" MPHPHYZQRGLTBO-LLVKDONJSA-N 6604340 BRD-K47464228-001-14-9 azaserine 0 100 MedChemEx HY-B0919 Azaserine 174.051 N[C@@H](COC(=O)C[N+]#N)C(O)=O YXEASJLRXGZRHS-VKHMYHEASA-O BRD-K01826751-003-08-9 azasetron 0 96.14 Tocris 380 Y-25130 hydrochloride 349.119 CN1C(=O)COc2c1cc(Cl)cc2C(=O)N[C@H]1CN2CCC1CC2 |&1:16| WUKZPHOXUVCQOR-ZDUSSCGKSA-N 25271863 BRD-K01826751-003-07-9 azasetron 0 98.4 Selleck S2106 Azasetron HCl (Y-25130) 385.096 CN1C(=O)COc2c1cc(Cl)cc2C(=O)N[C@H]1CN2CCC1CC2 |&1:16| WUKZPHOXUVCQOR-ZDUSSCGKSA-N 25271863 BRD-K77821588-050-01-7 azatadine 0 86.27 MicroSource 1503862 AZATADINE MALEATE 290.178 CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 SEBMTIQKRHYNIT-UHFFFAOYSA-N 19861 BRD-K77821588-364-01-2 azatadine 0 91.41 Selleck S3186 Azatadine dimaleate 290.178 CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 SEBMTIQKRHYNIT-UHFFFAOYSA-N 19861 BRD-K77821588-332-02-9 azatadine 0 95.55 MedChemEx HY-B0170A Azatadine (dimaleate) 290.178 CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 SEBMTIQKRHYNIT-UHFFFAOYSA-N 19861 BRD-K32821942-001-22-1 azathioprine 0 90.32 Tocris 4099 Azathioprine 277.038 Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O LMEKQMALGUDUQG-UHFFFAOYSA-N 2265 BRD-K32821942-001-21-3 azathioprine 0 98.13 MicroSource 1500133 AZATHIOPRINE 277.038 Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O LMEKQMALGUDUQG-UHFFFAOYSA-N 2265 BRD-K32821942-001-20-5 azathioprine 0 98.54 Selleck S1721 Azathioprine 277.038 Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O LMEKQMALGUDUQG-UHFFFAOYSA-N 2265 BRD-K69555850-001-02-9 AZD0156 0 91.98 MedChemEx HY-100016 AZD0156 461.243 CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 AOTRIQLYUAFVSC-UHFFFAOYSA-N 118502708 BRD-K61041538-001-05-5 AZD1080 0 53.31 MedChemEx HY-13862 AZD1080 334.143 O=C1Nc2ccc(cc2C1c1ccc(CN2CCOCC2)cn1)C#N RDXUCTYBYOIJGA-UHFFFAOYSA-N 10065474 BRD-K61041538-001-04-8 AZD1080 0 19.85 MedChemEx HY-13862 AZD1080 334.143 O=C1Nc2ccc(cc2C1c1ccc(CN2CCOCC2)cn1)C#N RDXUCTYBYOIJGA-UHFFFAOYSA-N 10065474 BRD-K61041538-001-01-4 AZD1080 0 29.6 Selleck S7145 AZD1080 334.143 O=C1Nc2ccc(cc2C1c1ccc(CN2CCOCC2)cn1)C#N RDXUCTYBYOIJGA-UHFFFAOYSA-N 10065474 BRD-K61041538-001-03-0 AZD1080 0 71.86 Selleck S7145 AZD1080 334.143 O=C1Nc2ccc(cc2C1c1ccc(CN2CCOCC2)cn1)C#N RDXUCTYBYOIJGA-UHFFFAOYSA-N 10065474 BRD-K21908111-001-03-9 AZD1208 0 96.23 Tocris 6310 AZD 1208 379.135 N[C@@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 MCUJKPPARUPFJM-UWCCDQBKSA-N 58423153 BRD-K21908111-001-01-8 AZD1208 0 88.58 MedChemEx HY-15604 AZD1208 379.135 N[C@@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 MCUJKPPARUPFJM-UWCCDQBKSA-N 58423153 BRD-K77060810-001-04-9 AZD1283 0 96.26 Tocris 6085 AZD 1283 470.162 CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 NEMHKCNXXRQYRF-UHFFFAOYSA-N 23649325 BRD-K77060810-001-01-5 AZD1283 0 99.81 MedChemEx HY-15799 AZD1283 470.162 CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 NEMHKCNXXRQYRF-UHFFFAOYSA-N 23649325 BRD-K00003509-001-01-9 AZD1390 0 95.58 MedChemEx HY-109566 AZD1390 477.254 CC(C)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O VQSZIPCGAGVRRP-UHFFFAOYSA-N 126689157 BRD-A44188509-001-01-2 AZD1446 0 81.54 Key KG-0039 "2-(5-chloro-2-furoyl)octahydropyrrolo[3,4-c]pyrrole" 240.067 "Clc1ccc(o1)C(=O)N1C[C@H]2CNC[C@@H]2C1 |&1:10,&2:14,r|" GTUIQNHJSXQMKW-HTQZYQBOSA-N 96568205 BRD-K65928735-001-06-8 AZD1480 0 92.19 Tocris 5617 AZD 1480 348.101 C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 PDOQBOJDRPLBQU-QMMMGPOBSA-N 16659841 BRD-K65928735-001-04-3 AZD1480 0 98.38 MedChemEx HY-10193 AZD-1480 348.101 C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 PDOQBOJDRPLBQU-QMMMGPOBSA-N 16659841 BRD-K83186168-001-01-8 AZD1981 0 95.7 Selleck S7263 AZD1981 388.065 CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 JWYIGNODXSRKGP-UHFFFAOYSA-N 11292191 BRD-K83186168-001-02-9 AZD1981 0 96.49 MedChemEx HY-15950 AZD1981 388.065 CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 JWYIGNODXSRKGP-UHFFFAOYSA-N 11292191 BRD-K99113996-001-03-9 AZD2014 0 95.58 MedChemEx HY-15247 Vistusertib 462.238 CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C JUSFANSTBFGBAF-IRXDYDNUSA-N 25262792 BRD-K99113996-001-02-0 AZD2014 0 95.74 Selleck S2783 AZD2014 462.238 CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C JUSFANSTBFGBAF-IRXDYDNUSA-N 25262792 BRD-K85014146-001-03-9 AZD2461 0 97.32 Tocris 6060 AZD 2461 395.165 COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F HYNBNUYQTQIHJK-UHFFFAOYSA-N 44199317 BRD-K85014146-001-02-5 AZD2461 0 98.71 Selleck S7029 AZD2461 395.165 COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F HYNBNUYQTQIHJK-UHFFFAOYSA-N 44199317 BRD-K85849709-001-02-9 AZD2858 0 89.07 MedChemEx HY-15761 AZD2858 453.158 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 FHCSBLWRGCOVPT-UHFFFAOYSA-N 10138980 BRD-K85849709-001-01-5 AZD2858 0 94.49 Selleck S7253 AZD2858 453.158 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 FHCSBLWRGCOVPT-UHFFFAOYSA-N 10138980 BRD-K14287049-001-01-3 AZD3264 0 90.52 MedChemEx HY-19362 AZD3264 441.147 Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1 NMFIXEFNQPDISY-ZDUSSCGKSA-N 91666658 BRD-K24593301-001-01-5 AZD3463 0 62.81 Selleck S7106 AZD3463 448.178 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1 GCYIGMXOIWJGBU-UHFFFAOYSA-N 56599293 BRD-K24593301-001-04-9 AZD3463 0 86.82 MedChemEx HY-15609 AZD-3463 448.178 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1 GCYIGMXOIWJGBU-UHFFFAOYSA-N 56599293 BRD-K24593301-001-02-3 AZD3463 0 94.52 Selleck S7106 AZD3463 448.178 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1 GCYIGMXOIWJGBU-UHFFFAOYSA-N 56599293 BRD-K84996356-001-01-1 AZD3514 0 96.18 Selleck S7040 AZD3514 519.257 CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| JMEYDSHPKCSIJC-UHFFFAOYSA-N 46893585 BRD-K84996356-001-03-9 AZD3514 0 95.16 MedChemEx HY-16079 AZD3514 519.257 CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| JMEYDSHPKCSIJC-UHFFFAOYSA-N 46893585 BRD-K41626799-001-01-1 AZD3759 0 98.14 MedChemEx HY-18750 AZD3759 459.147 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C MXDSJQHFFDGFDK-CYBMUJFWSA-N 78209992 BRD-K00004606-001-01-9 AZD3839 0 98.3 MedChemEx HY-13438 AZD3839 431.136 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |t:1| MRXBCEQZNKUUIP-DEOSSOPVSA-N 46202416 BRD-K00004606-001-02-9 AZD3839 0 0 Selleck S7731 (3S)-3-[2-(difluoromethyl)-4-pyridyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine 431.136 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |t:1| MRXBCEQZNKUUIP-DEOSSOPVSA-N 46202416 BRD-K25210703-001-01-9 AZD3965 0 97.59 MedChemEx HY-12750 AZD3965 515.145 CC(C)n1c2sc(Cc3c(C)[nH]nc3C(F)(F)F)c(C(=O)N3C[C@](C)(O)CO3)c2c(=O)n(C)c1=O PRNXOFBDXNTIFG-FQEVSTJZSA-N 10369242 BRD-K73984371-001-02-9 AZD3988 0 94.74 Tocris 4837 AZD 3988 456.161 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r| NGEBYTLALFOQKI-HDJSIYSDSA-N BRD-K73984371-001-01-1 AZD3988 0 97.67 Tocris 4837 AZD 3988 456.161 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r| NGEBYTLALFOQKI-HDJSIYSDSA-N BRD-K72369578-001-04-1 AZD4282 1 0 Enzo AC389 Glycine 75.032 NCC(O)=O DHMQDGOQFOQNFH-UHFFFAOYSA-N 750 BRD-K28392481-001-05-1 AZD4547 0 92.48 Selleck S2801 AZD4547 463.258 COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)[nH]n2)cc(OC)c1 VRQMAABPASPXMW-HDICACEKSA-N 51039095 BRD-K28392481-001-03-6 AZD4547 0 94.33 Selleck S2801 AZD4547 463.258 COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)[nH]n2)cc(OC)c1 "InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+" 51039095 BRD-K00003106-001-01-9 AZD4573 0 95.42 MedChemEx HY-112088 AZD4573 429.193 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 AVIWDYSJSPOOAR-LSDHHAIUSA-N 124155204 BRD-K00003443-001-01-9 AZD4635 0 96.52 MedChemEx HY-101980 AZD4635 315.069 Cc1cc(cc(Cl)n1)-c1nnc(N)nc1-c1ccc(F)cc1 NCWQLHHDGDXIJN-UHFFFAOYSA-N 86676119 BRD-K00003297-001-01-9 AZD5069 0 97.69 MedChemEx HY-19855 AZD-5069 476.1 C[C@@H](Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO QZECRCLSIGFCIO-RISCZKNCSA-N 56645576 BRD-K00003528-457-01-9 AZD5153 0 92.79 MedChemEx HY-100653A AZD5153 (6-Hydroxy-2-naphthoic acid) 479.264 [H][C@]1(C)N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(OC)n3n2)CCN(C)C1=O |r| RSMYFSPOTCDHHJ-GOSISDBHSA-N 118693659 BRD-K99023089-001-03-7 AZD5363 0 94.65 Selleck S8019 AZD5363 428.173 NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 JDUBGYFRJFOXQC-KRWDZBQOSA-N 25227436 BRD-K99023089-001-06-9 AZD5363 0 97.69 MedChemEx HY-15431 Capivasertib 428.173 NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 JDUBGYFRJFOXQC-KRWDZBQOSA-N 25227436 BRD-K72414522-001-08-3 AZD5438 0 78.63 Selleck S2621 AZD5438 371.142 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 WJRRGYBTGDJBFX-UHFFFAOYSA-N 16747683 BRD-K72414522-001-10-9 AZD5438 0 97.1 Tocris 3968 AZD 5438 371.142 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 WJRRGYBTGDJBFX-UHFFFAOYSA-N 16747683 BRD-K72414522-001-06-7 AZD5438 0 87.42 Selleck S2621 AZD5438 371.142 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 WJRRGYBTGDJBFX-UHFFFAOYSA-N 16747683 BRD-K72414522-001-04-2 AZD5438 0 Selleck S2621 AZD5438 371.142 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 "InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)" 16747683 BRD-K88767641-001-01-7 AZD5582 0 93.19 MedChemEx HY-12600 AZD5582 1014.594 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 WLMCRYCCYXHPQF-ZVMUOSSASA-N 49847690 BRD-K00005264-001-02-9 AZD5991 0 97.34 MedChemEx HY-101533 AZD-5991 671.179 Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C KBQCEQAXHPIRTF-UHFFFAOYSA-N 131634760 BRD-K58772419-001-08-8 AZD6482 0 99.6 Tocris 4839 AZD 6482 408.18 C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 IRTDIKMSKMREGO-OAHLLOKOSA-N 44137675 BRD-K58772419-001-07-0 AZD6482 0 98.16 Selleck S1462 AZD6482 408.18 C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 IRTDIKMSKMREGO-OAHLLOKOSA-N 44137675 BRD-A36013532-001-01-3 AZD6738 0 97.61 Selleck S7693 AZD6738 412.168 "C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O |a:1,&1:25|" OHUHVTCQTUDPIJ-MUWSIPGASA-N 54761305 BRD-A94033181-001-01-4 AZD6765 0 84.3 Enamine EN300-123342 198.116 "N[C@@H](Cc1ccccn1)c1ccccc1 |&1:1,r|" FWUQWDCOOWEXRY-ZDUSSCGKSA-N 9794203 BRD-K52836380-001-05-9 AZD7545 0 96.52 MedChemEx HY-16082 AZD7545 478.058 CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 DTDZLJHKVNTQGZ-GOSISDBHSA-N 16741245 BRD-K00003100-001-01-9 AZD7594 0 86.17 MedChemEx HY-111453 AZD7594 606.229 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 ZZWJKLGCDHYVMB-BWGXUDETSA-N 67041274 BRD-K31495718-001-01-1 AZD7687 0 99.55 MedChemEx HY-15497 AZD7687 367.19 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r| YXFNPRHZMOGREC-SHTZXODSSA-N BRD-K31495718-001-02-9 AZD7687 0 96.39 MedChemEx HY-15497 AZD7687 367.19 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r| YXFNPRHZMOGREC-SHTZXODSSA-N BRD-K86525559-003-11-9 AZD7762 0 91.08 Tocris 5199 AZD 7762 hydrochloride 362.121 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 IAYGCINLNONXHY-LBPRGKRZSA-N 11152667 BRD-K86525559-001-04-5 AZD7762 0 86.93 Selleck S1532 AZD7762 362.121 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 IAYGCINLNONXHY-LBPRGKRZSA-N 11152667 BRD-K86525559-003-01-7 AZD7762 0 94.21 Tocris 5199 AZD 7762 hydrochloride 362.121 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 IAYGCINLNONXHY-LBPRGKRZSA-N 11152667 BRD-K86525559-001-07-8 AZD7762 0 92.5 Selleck S1532 AZD7762 362.121 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 IAYGCINLNONXHY-LBPRGKRZSA-N 11152667 BRD-K00003398-001-01-9 AZD7986 0 95.46 MedChemEx HY-101056 AZD7986 420.18 Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 AEXFXNFMSAAELR-RXVVDRJESA-N 118253852 BRD-K69932463-001-10-6 AZD8055 0 97.5 Selleck S1555 AZD8055 465.238 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C KVLFRAWTRWDEDF-IRXDYDNUSA-N 25262965 BRD-K69932463-001-17-1 AZD8055 0 98.72 Focus Oct-4816 AZD8055 465.238 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C KVLFRAWTRWDEDF-IRXDYDNUSA-N 25262965 BRD-K47289408-001-01-5 AZD8186 0 99.82 Adooq A14164 457.181 C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C LMJFJIDLEAWOQJ-CQSZACIVSA-N 52913813 BRD-K47289408-001-02-3 AZD8186 0 99.37 Selleck S7694 AZD8186 457.181 C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C LMJFJIDLEAWOQJ-CQSZACIVSA-N 52913813 BRD-A57210235-001-01-9 BRD-K37687095-001-07-7 AZD8330 0 97.4 Selleck S2134 AZD8330 461.025 Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O RWEVIPRMPFNTLO-UHFFFAOYSA-N 16666708 BRD-K37687095-001-06-9 AZD8330 0 90.37 Selleck S2134 AZD8330 461.025 Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O RWEVIPRMPFNTLO-UHFFFAOYSA-N 16666708 BRD-K03336321-001-02-9 AZD8797 0 94.44 MedChemEx HY-13848 AZD8797 403.15 CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12 ZMQSLMZOWVGBSM-GXTWGEPZSA-N 11965767 BRD-K82894950-001-01-0 AZD8835 0 97.11 MedChemEx HY-12869 AZD-8835 469.255 CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CCO ZGRDYKFVDCFJCZ-UHFFFAOYSA-N 76685059 BRD-K98572433-001-03-9 AZD8931 0 99.24 MedChemEx HY-13050 Sapitinib 473.163 CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC DFJSJLGUIXFDJP-UHFFFAOYSA-N 11488320 BRD-K98572433-001-02-9 AZD8931 0 96.79 Selleck S2192 AZD8931 (Sapitinib) 473.163 CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC DFJSJLGUIXFDJP-UHFFFAOYSA-N 11488320 BRD-K13699028-003-02-9 AZD9056 0 95.95 MedChemEx HY-19427A AZD9056 (hydrochloride) 418.239 OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 HSQAARMBHJCUOK-UHFFFAOYSA-N 10161381 BRD-K61043483-001-01-5 AZD9272 0 97.51 Tocris 5613 AZD 9272 284.051 Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N RBSPCALDSNXWEP-UHFFFAOYSA-N 9838729 BRD-K61043483-001-02-9 AZD9272 0 96.21 Tocris 5613 AZD 9272 284.051 Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N RBSPCALDSNXWEP-UHFFFAOYSA-N 9838729 BRD-K73235735-001-02-7 AZD9496 0 97.14 MedChemEx HY-12870 AZD9496 442.187 C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F DFBDRVGWBHBJNR-BBNFHIFMSA-N 86287635 BRD-K73235735-050-01-6 AZD9496 0 91.55 MedChemEx HY-12870A AZD9496 (maleate) 442.187 C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F DFBDRVGWBHBJNR-BBNFHIFMSA-N 86287635 BRD-K31476763-001-01-5 AZD9668 0 98.48 MedChemEx HY-15651 Alvelestat 545.134 Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C QNQZWEGMKJBHEM-UHFFFAOYSA-N 46861623 BRD-K31476763-001-02-9 AZD9668 0 91.86 MedChemEx HY-15651 Alvelestat 545.134 Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C QNQZWEGMKJBHEM-UHFFFAOYSA-N 46861623 BRD-K08976401-001-18-5 azelaic-acid 0 97.8 MicroSource 1500648 AZELAIC ACID 188.105 OC(=O)CCCCCCCC(O)=O BDJRBEYXGGNYIS-UHFFFAOYSA-N 2266 BRD-A68888262-003-16-9 azelastine 0 79.44 MicroSource 1505340 AZELASTINE HYDROCHLORIDE 381.161 CN1CCC[C@@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |&1:5| MBUVEWMHONZEQD-SFHVURJKSA-N 12831281 BRD-A68888262-003-15-1 azelastine 0 96.67 Selleck S2552 Azelastine HCl 381.161 CN1CCC[C@@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |&1:5| MBUVEWMHONZEQD-SFHVURJKSA-N 12831281 BRD-A68888262-003-17-9 azelastine 0 98 MedChemEx HY-B0462 Azelastine (hydrochloride) 381.161 CN1CCC[C@@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |&1:5| MBUVEWMHONZEQD-SFHVURJKSA-N 12831281 BRD-K51899933-001-02-6 azeliragon 0 90.27 MedChemEx HY-50682 Azeliragon 531.265 CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1 KJNNWYBAOPXVJY-UHFFFAOYSA-N 11180124 BRD-A01098288-001-06-0 azelnidipine 0 95.94 MedChemEx HY-B0023 Azelnidipine 582.248 "CC(C)OC(=O)C1=C(C)NC(N)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1 |r,c:6,11|" ZKFQEACEUNWPMT-MUUNZHRXSA-N 9873077 BRD-A01098288-001-04-5 azelnidipine 0 81.05 Selleck S3053 Azelnidipine 582.248 "CC(C)OC(=O)C1=C(C)NC(N)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1 |r,c:6,11|" ZKFQEACEUNWPMT-MUUNZHRXSA-N 9873077 BRD-A01098288-001-02-9 azelnidipine 0 83.79 Selleck S3053 Azelnidipine 582.248 "CC(C)OC(=O)C1=C(C)NC(N)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1 |r,c:6,11|" ZKFQEACEUNWPMT-MUUNZHRXSA-N 9873077 BRD-K81074237-001-04-9 azilsartan 0 97.01 Tocris 4553 Azilsartan 456.143 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 KGSXMPPBFPAXLY-UHFFFAOYSA-N 135415867 BRD-K81074237-001-03-1 azilsartan 0 91.72 Tocris 4553 Azilsartan 456.143 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 KGSXMPPBFPAXLY-UHFFFAOYSA-N 135415867 BRD-K81074237-001-02-3 azilsartan 0 97.15 Selleck S3046 Azilsartan 456.143 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 KGSXMPPBFPAXLY-UHFFFAOYSA-N 135415867 BRD-K25723200-237-01-9 azilsartan-medoxomil 0 77.15 MicroSource 1504108 AZILSARTAN MEDOXOMIL 568.159 CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 QJFSABGVXDWMIW-UHFFFAOYSA-N 135409642 BRD-K25723200-001-03-5 azilsartan-medoxomil 0 92.61 Selleck S3057 Azilsartan Medoxomil (TAK-491) 568.159 CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 QJFSABGVXDWMIW-UHFFFAOYSA-N 135409642 BRD-K25723200-001-02-7 azilsartan-medoxomil 0 80.92 Selleck S3057 Azilsartan Medoxomil 568.159 CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 QJFSABGVXDWMIW-UHFFFAOYSA-N 135409642 BRD-K25723200-001-04-3 azilsartan-medoxomil 0 97.22 Selleck S3057 Azilsartan Medoxomil (TAK-491) 568.159 CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1 QJFSABGVXDWMIW-UHFFFAOYSA-N 135409642 BRD-K38913877-300-02-9 azimilide 0 94.02 Tocris 6318 Azimilide dihydrochloride 457.188 CN1CCN(CCCCN2C(=O)CN(\N=C\c3ccc(o3)-c3ccc(Cl)cc3)C2=O)CC1 MREBEPTUUMTTIA-PCLIKHOPSA-N 9571004 BRD-K38913877-300-01-9 azimilide 0 97.19 MedChemEx HY-18600A Azimilide (Dihydrochloride) 457.188 CN1CCN(CCCCN2C(=O)CN(\N=C\c3ccc(o3)-c3ccc(Cl)cc3)C2=O)CC1 MREBEPTUUMTTIA-PCLIKHOPSA-N 9571004 BRD-K74501079-001-17-3 azithromycin 0 99.26 Tocris 3771 Azithromycin 748.509 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O MQTOSJVFKKJCRP-CBLJCGFISA-N 71206984 BRD-K74501079-001-15-7 azithromycin 0 97.53 MicroSource 1503679 AZITHROMYCIN 748.509 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O MQTOSJVFKKJCRP-CBLJCGFISA-N 71206984 BRD-K74501079-335-01-9 azithromycin 0 100 Selleck S4147 Azithromycin Dihydrate 748.509 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O MQTOSJVFKKJCRP-CBLJCGFISA-N 71206984 BRD-A37438244-335-01-2 BRD-K74501079-001-19-9 azithromycin 0 100 Tocris 3771 Azithromycin 748.509 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O MQTOSJVFKKJCRP-CBLJCGFISA-N 71206984 BRD-K74501079-001-18-1 azithromycin 0 100 Selleck S1835 Azithromycin 748.509 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O MQTOSJVFKKJCRP-CBLJCGFISA-N 71206984 BRD-K73794685-001-01-5 BRD-K60663764-236-04-7 azlocillin 0 37.97 MicroSource 1503101 AZLOCILLIN SODIUM 461.137 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O JTWOMNBEOCYFNV-NFFDBFGFSA-N 6479523 BRD-A95218818-236-05-4 BRD-K60663764-236-05-4 azlocillin 0 36.55 MicroSource 1503101 AZLOCILLIN SODIUM 461.137 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O JTWOMNBEOCYFNV-NFFDBFGFSA-N 6479523 BRD-A95218818-001-01-1 BRD-K60663764-236-03-9 azlocillin 0 85.42 Selleck S3195 Azlocillin sodium salt 461.137 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O JTWOMNBEOCYFNV-NFFDBFGFSA-N 6479523 BRD-A46717658-236-03-3 BRD-K60663764-236-07-9 azlocillin 0 74.39 MedChemEx HY-B0529A Azlocillin (sodium salt) 461.137 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O JTWOMNBEOCYFNV-NFFDBFGFSA-N 6479523 BRD-K51329597-001-01-3 AZM-475271 0 93.7 Tocris 3963 AZM 475271 442.177 COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1 WPOXAFXHRJYEIC-UHFFFAOYSA-N 5330175 BRD-K51329597-001-02-9 AZM-475271 0 97.05 Tocris 3963 AZM 475271 442.177 COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1 WPOXAFXHRJYEIC-UHFFFAOYSA-N 5330175 BRD-K87036601-001-02-4 azodicarbonamide 1 0 AMS A001025136 "(E)-1,2-diazenedicarboxamide" 116.033 NC(=O)\N=N\C(N)=O XOZUGNYVDXMRKW-AATRIKPKSA-N 5462814 BRD-K87036601-001-01-6 azodicarbonamide 1 0 MatrixSci 99173 116.033 NC(=O)\N=N\C(N)=O XOZUGNYVDXMRKW-AATRIKPKSA-N 5462814 BRD-K26824830-001-02-0 azomycin-(2-nitroimidazole) 0 88.92 Selleck S2267 Azomycin 113.023 [O-][N+](=O)c1ncc[nH]1 YZEUHQHUFTYLPH-UHFFFAOYSA-N 10701 BRD-K26824830-001-03-8 azomycin-(2-nitroimidazole) 0 96.5 Selleck S2267 Azomycin (2-Nitroimidazole) 113.023 [O-][N+](=O)c1ncc[nH]1 YZEUHQHUFTYLPH-UHFFFAOYSA-N 10701 BRD-K68770713-001-01-8 azosemide 0 95.2 AKSci 69592 370.007 NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl HMEDEBAJARCKCT-UHFFFAOYSA-N 2273 BRD-K62607865-001-11-9 aztreonam 0 81.57 MedChemEx HY-B0129 Aztreonam 435.052 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O WZPBZJONDBGPKJ-VEHQQRBSSA-N 5742832 BRD-K62607865-236-02-4 aztreonam 0 69.22 MicroSource 1505122 AZTREONAM 435.052 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O WZPBZJONDBGPKJ-VEHQQRBSSA-N 5742832 BRD-K36547807-001-03-2 BRD-K62607865-001-09-7 aztreonam 0 90.6 Selleck S1505 "Aztreonam (Azactam, Cayston)" 435.052 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O WZPBZJONDBGPKJ-VEHQQRBSSA-N 5742832 BRD-K62607865-236-01-6 aztreonam 0 54.85 Selleck S1505 Aztreonam 435.052 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O WZPBZJONDBGPKJ-VEHQQRBSSA-N 5742832 BRD-K41270709-001-01-7 BRD-A41698174-003-13-8 bacampicillin 0 74.93 MicroSource 1503102 BACAMPICILLIN HYDROCHLORIDE 465.157 "CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O |a:11,13,18,22,&1:6|" PFOLLRNADZZWEX-XIJZRVNUSA-N 66586207 BRD-A10481343-003-03-3 BRD-A41698174-003-11-2 bacampicillin 0 70.33 Sigma S______B1885 "1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride" 465.157 "CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O |a:11,13,18,22,&1:6|" PFOLLRNADZZWEX-XIJZRVNUSA-N 66586207 BRD-A41698174-003-12-0 bacampicillin 0 81.26 MedChemEx HY-B1149A Bacampicillin (hydrochloride) 465.157 "CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O |a:11,13,18,22,&1:6|" PFOLLRNADZZWEX-XIJZRVNUSA-N 66586207 BRD-K14079729-001-01-1 bacitracin 0 43.52 Selleck S4146 Bacitracin 1421.749 CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC |t:6| CLKOFPXJLQSYAH-BBLSSJOMSA-N BRD-K00003625-001-01-9 bacitracin-zinc 0 51.16 MedChemEx HY-B0278 Bacitracin (Zinc) 1483.662 CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCC(=O)O[Zn]OC(=O)C[C@H]2NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC2=O)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC |t:6| UCRLQOPRDMGYOA-PIGMFEANSA-L BRD-K01826724-001-08-9 baclofen 0 47.4 Tocris 417 (RS)-Baclofen 213.056 NC[C@@H](CC(O)=O)c1ccc(Cl)cc1 |&1:2| KPYSYYIEGFHWSV-MRVPVSSYSA-N 6923772 BRD-K01826724-003-07-9 baclofen 0 0 MicroSource 1500135 BACLOFEN HYDROCHLORIDE (+/-) 249.032 NC[C@@H](CC(O)=O)c1ccc(Cl)cc1 |&1:2| KPYSYYIEGFHWSV-MRVPVSSYSA-N 6923772 BRD-A16694057-001-08-9 BADGE 0 0 Sigma MFCD00080480 Bisphenol A diglycidyl ether 340.167 "CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1 |&1:9,&2:20,r|" LCFVJGUPQDGYKZ-PMACEKPBSA-N 6994088 BRD-A16694057-001-06-8 BADGE 0 94.12 Tocris 1326 BADGE 340.167 "CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1 |&1:9,&2:20,r|" LCFVJGUPQDGYKZ-PMACEKPBSA-N 6994088 BRD-K82196541-001-04-9 bafetinib 0 91.07 Selleck S1369 576.257 CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 ZGBAJMQHJDFTQJ-DEOSSOPVSA-N 11387605 BRD-K82196541-001-03-9 bafetinib 0 93.85 MedChemEx HY-50868 Bafetinib 576.257 CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 ZGBAJMQHJDFTQJ-DEOSSOPVSA-N 11387605 BRD-K00010387-001-01-9 bafilomycin-a1 0 87.42 MedChemEx HY-100558 Bafilomycin A1 622.408 "[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C |c:10,t:7,20,22|" XDHNQDDQEHDUTM-UTRUWJARSA-N 90656913 BRD-K00652956-001-01-5 BAG-956 0 97.92 Tocris 3606 BAG 956 427.18 Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C(C)(C)C#N)C#Cc1cccnc1 GVPAGJWVBUZHNQ-UHFFFAOYSA-N 24882589 BRD-K00652956-001-02-9 BAG-956 0 97.33 Tocris 3606 BAG 956 427.18 Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C(C)(C)C#N)C#Cc1cccnc1 GVPAGJWVBUZHNQ-UHFFFAOYSA-N 24882589 BRD-K72327355-001-15-4 baicalein 0 97.14 Selleck S2268 Baicalein 270.053 Oc1cc2oc(cc(O)c2c(=O)c1O)-c1ccccc1 WTNAEULBGCSUSK-UHFFFAOYSA-N BRD-K72327355-001-13-9 baicalein 0 91.86 Selleck S2268 Baicalein 270.053 Oc1cc2oc(cc(O)c2c(=O)c1O)-c1ccccc1 WTNAEULBGCSUSK-UHFFFAOYSA-N BRD-K72327355-001-14-7 baicalein 0 93.36 Tocris 1761 Baicalein 270.053 Oc1cc2oc(cc(O)c2c(=O)c1O)-c1ccccc1 WTNAEULBGCSUSK-UHFFFAOYSA-N BRD-K49962337-001-03-9 baicalin 0 96.41 MedChemEx HY-N0197 Baicalin 446.085 O[C@H]1[C@H](Oc2cc3oc(cc(O)c3c(=O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O DAIGSUHCWOZEQG-ZFORQUDYSA-N BRD-K49962337-001-02-9 baicalin 0 86.92 Selleck S2269 Baicalin 446.085 O[C@H]1[C@H](Oc2cc3oc(cc(O)c3c(=O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O DAIGSUHCWOZEQG-ZFORQUDYSA-N BRD-K99455969-001-02-8 BRD-K49962337-001-01-1 baicalin 0 87.7 Selleck S2269 Baicalin 446.085 O[C@H]1[C@H](Oc2cc3oc(cc(O)c3c(=O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O DAIGSUHCWOZEQG-ZFORQUDYSA-N BRD-K98733875-001-01-4 BRD-K09785578-001-02-0 bakuchiol 0 89.43 MedChemEx HY-N0235 Bakuchiol 256.183 CC(C)=CCC[C@@](C)(C=C)\C=C\c1ccc(O)cc1 LFYJSSARVMHQJB-QIXNEVBVSA-N 5468522 BRD-K09785578-001-01-2 bakuchiol 0 83.69 Enzo 350-144 Bakuchiol 256.183 CC(C)=CCC[C@@](C)(C=C)\C=C\c1ccc(O)cc1 LFYJSSARVMHQJB-QIXNEVBVSA-N 5468522 BRD-A00147595-001-01-5 balaglitazone 0 96.17 MedChemEx HY-16086 Balaglitazone 395.094 Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2ccccc2c1=O |r| IETKPTYAGKZLKY-MRXNPFEDSA-N 76968728 BRD-A00147595-001-02-9 balaglitazone 0 98.36 MedChemEx HY-16086 Balaglitazone 395.094 Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2ccccc2c1=O |r| IETKPTYAGKZLKY-MRXNPFEDSA-N 76968728 BRD-K47976015-001-02-9 balapiravir 0 88.61 MedChemEx HY-10443 Balapiravir 494.213 CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-] VKXWOLCNTHXCLF-DXEZIKHYSA-N 53297462 BRD-K47976015-001-01-2 balapiravir 0 95.37 MedChemEx HY-10443 Balapiravir 494.213 CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1ccc(N)nc1=O)N=[N+]=[N-] VKXWOLCNTHXCLF-DXEZIKHYSA-N 53297462 BRD-K27204852-001-02-7 balicatib 0 85.86 Tocris 5585 Balicatib 411.263 CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N LLCRBOWRJOUJAE-UHFFFAOYSA-N 10201696 BRD-K27204852-001-03-9 balicatib 0 88.47 Tocris 5585 Balicatib 411.263 CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N LLCRBOWRJOUJAE-UHFFFAOYSA-N 10201696 BRD-K27204852-001-01-9 balicatib 0 97.04 MedChemEx HY-15100 Balicatib 411.263 CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N LLCRBOWRJOUJAE-UHFFFAOYSA-N 10201696 BRD-A47790386-001-02-8 balofloxacin 0 45.87 Selleck S2064 Balofloxacin 389.175 "CN[C@H]1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |&1:2,r|" MGQLHRYJBWGORO-NSHDSACASA-N 40490624 BRD-A47790386-001-05-9 balofloxacin 0 64.13 MedChemEx HY-B0159 Balofloxacin 389.175 "CN[C@H]1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |&1:2,r|" MGQLHRYJBWGORO-NSHDSACASA-N 40490624 BRD-A47790386-001-03-6 balofloxacin 0 97.5 Selleck S2064 Balofloxacin 389.175 "CN[C@H]1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |&1:2,r|" MGQLHRYJBWGORO-NSHDSACASA-N 40490624 BRD-K00003496-001-01-9 baloxavir 0 98.4 MedChemEx HY-109025A Baloxavir 483.106 [H][C@@]12COCCN1C(=O)c1c(O)c(=O)ccn1N2[C@@H]1c2ccccc2SCc2c(F)c(F)ccc12 FIDLLEYNNRGVFR-CTNGQTDRSA-N 124081876 BRD-K00003495-001-01-9 baloxavir-marboxil 0 98.17 MedChemEx HY-109025 Baloxavir marboxil 571.122 [H][C@@]12COCCN1C(=O)c1c(OCOC(=O)OC)c(=O)ccn1N2[C@H]1c2ccc(F)c(F)c2CSc2ccccc12 RZVPBGBYGMDSBG-GGAORHGYSA-N 124081896 BRD-K00003656-001-01-9 balsalazide 0 86.18 MedChemEx HY-B0667 Balsalazide 357.096 OC(=O)CCNC(=O)c1ccc(cc1)\N=N\c1ccc(O)c(c1)C(O)=O IPOKCKJONYRRHP-FMQUCBEESA-N BRD-K07442505-001-03-6 BAM7 0 97.43 Selleck S7105 BAM7 405.126 CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14| KOCVKGYKBLJEPK-LYBHJNIJSA-N BRD-K07442505-001-05-9 BAM7 0 97.46 MedChemEx HY-15341 BAM7 405.126 CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14| KOCVKGYKBLJEPK-LYBHJNIJSA-N BRD-K00003411-001-01-9 bamaquimast 0 97.09 MedChemEx HY-101427 Bamaquimast 303.158 CCCn1c2ccccc2nc(CCCOC(=O)NC)c1=O HNQSZPBGDAJIJO-UHFFFAOYSA-N 184838 BRD-A17462676-003-11-6 bambuterol 0 97.14 MicroSource 1505173 BAMBUTEROL HYDROCHLORIDE 367.211 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C ANZXOIAKUNOVQU-UHFFFAOYSA-N 57515921 BRD-K47049295-300-02-3 BAN-ORL-24 0 57.78 Tocris 3661 BAN ORL 24 433.273 O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 MAKMQGKJURAJEN-RUZDIDTESA-N 10296561 BRD-K47049295-300-03-1 BAN-ORL-24 0 83.83 MedChemEx HY-13222 BAN ORL 24 433.273 O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 MAKMQGKJURAJEN-RUZDIDTESA-N 10296561 BRD-K47049295-300-01-5 BAN-ORL-24 0 82.84 Tocris 3661 BAN ORL 24 433.273 O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 MAKMQGKJURAJEN-RUZDIDTESA-N 10296561 BRD-K00003159-300-01-9 banoxantrone 0 80.96 MedChemEx HY-13562A Banoxantrone (dihydrochloride) 444.201 C[N+](C)([O-])CCNc1ccc(NCC[N+](C)(C)[O-])c2C(=O)c3c(O)ccc(O)c3C(=O)c12 YZBAXVICWUUHGG-UHFFFAOYSA-N 9955116 BRD-K31928526-001-02-1 barasertib 0 89.07 MedChemEx HY-10127 AZD1152 587.206 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O GBJVVSCPOBPEIT-UHFFFAOYSA-N 11497983 BRD-K63923597-001-10-0 barasertib-HQPA 0 96.94 Selleck S1147 Barasertib (AZD1152-HQPA) 507.239 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 QYZOGCMHVIGURT-UHFFFAOYSA-N 16007391 BRD-K63923597-001-11-8 barasertib-HQPA 0 96.55 Selleck S1147 Barasertib (AZD1152-HQPA) 507.239 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 QYZOGCMHVIGURT-UHFFFAOYSA-N 16007391 BRD-K63923597-001-08-4 barasertib-HQPA 0 96.66 Selleck S1147 Barasertib (AZD1152-HQPA) 507.239 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 "InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)" 16007391 BRD-K20545304-001-01-6 bardoxolone 0 85.92 MedChemEx HY-14909 Bardoxolone 491.304 "CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O |t:17,21|" TXGZJQLMVSIZEI-UQMAOPSPSA-N 400010 BRD-K20545304-001-02-4 bardoxolone 0 MedChemEx HY-14909 Bardoxolone 491.304 "CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O |t:17,21|" "InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1" 400010 BRD-K69694239-001-02-2 bardoxolone-methyl 0 90.44 Selleck S8078 Bardoxolone Methyl 505.319 "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |t:16,20|" WPTTVJLTNAWYAO-KPOXMGGZSA-N 400769 BRD-K22848513-001-01-9 BRD-K69694239-001-03-0 bardoxolone-methyl 0 MedChemEx HY-13324 Bardoxolone methyl 505.319 "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |t:16,20|" "InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1" 400769 BRD-K53581288-001-02-9 baricitinib 0 97.36 Selleck S2851 "Baricitinib (LY3009104, INCB028050)" 371.116 CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 XUZMWHLSFXCVMG-UHFFFAOYSA-N 44205240 BRD-K67760597-240-01-5 barium-6-O-phosphonato-D-glucose 0 0 TCI G0052 barium 6-O-phosphonato-D-glucose 260.03 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O VFRROHXSMXFLSN-SLPGGIOYSA-N 439958 BRD-K78781788-003-01-9 barnidipine 0 92.07 AKSci O375 491.206 "COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 |c:4,9|" VXMOONUMYLCFJD-DHLKQENFSA-N 443869 BRD-K26362911-003-01-1 basic-fuchsin 0 0 SantaCruz sc-203731 Basic Fuchsin 301.158 "CC1=CC(C=CC1=N)=C(c1ccc(N)cc1)c1ccc(N)cc1 |c:4,t:1|" YDCMWLQSPFTWCS-UHFFFAOYSA-N 12448 BRD-K62387885-001-01-9 basimglurant 0 99.2 MedChemEx HY-15446 RG7090 325.078 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 UPZWINBEAHDTLA-UHFFFAOYSA-N 11438771 BRD-K00003221-001-01-9 basmisanil 0 98.76 MedChemEx HY-16716 Basmisanil 445.111 Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1 VCGRFBXVSFAGGA-UHFFFAOYSA-N 57336276 BRD-K00003148-001-01-9 batefenterol 0 90.34 MedChemEx HY-12980 Batefenterol 739.277 COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2nc(O)ccc12 URWYQGVSPQJGGB-DHUJRADRSA-N 10372836 BRD-K82818427-001-04-8 batimastat 0 92.91 Selleck S7155 Batimastat (BB-94) 477.176 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO XFILPEOLDIKJHX-QYZOEREBSA-N 5362422 BRD-K25361343-001-01-6 BRD-K82818427-001-05-9 batimastat 0 95.3 Tocris 2961 Batimastat 477.176 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO XFILPEOLDIKJHX-QYZOEREBSA-N 5362422 BRD-K82818427-001-02-2 batimastat 0 91.11 Selleck S7155 Batimastat (BB-94) 477.176 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO XFILPEOLDIKJHX-QYZOEREBSA-N 5362422 BRD-K79595931-312-01-3 bavisant 0 99.79 MedChemEx HY-14880B Bavisant (dihydrochloride hydrate) 329.21 O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1 BGBVSGSIXIIREO-UHFFFAOYSA-N 16061509 BRD-K79595931-312-02-9 bavisant 0 83.4 MedChemEx HY-14880B Bavisant (dihydrochloride hydrate) 329.21 O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1 BGBVSGSIXIIREO-UHFFFAOYSA-N 16061509 BRD-K01826533-300-02-9 BAX-channel-blocker 0 90.53 Tocris 2160 Bax channel blocker 465.005 O[C@@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 |&1:1| KUUJEXLRLIPQQJ-HNNXBMFYSA-N 981054 BRD-K15025317-001-15-1 BAY-11-7082 0 95.23 Tocris 1744 Bay 11-7821 207.035 Cc1ccc(cc1)S(=O)(=O)\C=C\C#N DOEWDSDBFRHVAP-KRXBUXKQSA-N 5353431 BRD-K15025317-001-14-4 BAY-11-7082 0 0 Selleck S2913 BAY 11-7082 207.035 Cc1ccc(cc1)S(=O)(=O)\C=C\C#N DOEWDSDBFRHVAP-KRXBUXKQSA-N 5353431 BRD-K15025317-001-17-7 BAY-11-7082 0 100 Selleck S2913 BAY 11-7082 (BAY 11-7821) 207.035 Cc1ccc(cc1)S(=O)(=O)\C=C\C#N DOEWDSDBFRHVAP-KRXBUXKQSA-N 5353431 BRD-K48684885-001-04-2 BAY-11-7085 0 91.4 Tocris 1743 Bay 11-7085 249.082 CC(C)(C)c1ccc(cc1)S(=O)(=O)\C=C\C#N VHKZGNPOHPFPER-ONNFQVAWSA-N 5353432 BRD-K00003533-001-01-9 BAY-1251152 0 97.4 MedChemEx HY-103019A (?)-BAY-1251152 404.112 COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F |r| YZCUMZWULWOUMD-MUUNZHRXSA-N BRD-K00003359-001-01-9 BAY-1436032 0 97.89 MedChemEx HY-100020 BAY-1436032 489.224 C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12 RNMAUIMMNAHKQR-QFBILLFUSA-N 118310260 BRD-K00003422-003-01-9 BAY-1895344 0 91.76 MedChemEx HY-101566A BAY-1895344 (hydrochloride) 375.181 C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 YBXRSCXGRPSTMW-CYBMUJFWSA-N 118869362 BRD-K22379844-001-04-9 BAY-2402234 0 95.74 MedChemEx HY-112645 BAY-2402234 520.094 CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O KNVJMHHAXCPZHF-JTQLQIEISA-N 134470179 BRD-K32033120-001-02-9 BAY-41-2272 0 99.07 Tocris 4430 BAY 41-2272 360.15 Nc1nc(ncc1C1CC1)-c1nn(Cc2ccccc2F)c2ncccc12 ATOAHNRJAXSBOR-UHFFFAOYSA-N 9798973 BRD-K32033120-001-01-1 BAY-41-2272 0 96.5 Tocris 4430 BAY 41-2272 360.15 Nc1nc(ncc1C1CC1)-c1nn(Cc2ccccc2F)c2ncccc12 ATOAHNRJAXSBOR-UHFFFAOYSA-N 9798973 BRD-K32952627-001-02-9 BAY-60-6583 0 96.22 Tocris 4472 BAY 60-6583 379.11 NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N ZTYHZMAZUWOXNC-UHFFFAOYSA-N 11717831 BRD-K32952627-001-01-0 BAY-60-6583 0 92.52 Tocris 4472 BAY 60-6583 379.11 NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N ZTYHZMAZUWOXNC-UHFFFAOYSA-N 11717831 BRD-K86932920-001-02-9 BAY-60-7550 0 93.86 MedChemEx HY-14992 Bay 60-7550 476.242 COc1ccc(Cc2nc(=O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3[nH]2)cc1OC MYTWFJKBZGMYCS-NQIIRXRSSA-N 135564787 BRD-K53281329-300-01-5 BAY-61-3606 0 91.87 MedChemEx HY-14985 BAY 61-3606 (dihydrochloride) 390.144 COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1 JWQOJVOKBAAAAR-UHFFFAOYSA-N 10200390 BRD-K00005331-001-01-9 BAY-8002 0 91.78 MedChemEx HY-122312 BAY-8002 415.028 OC(=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)c1ccccc1 CLAUJSRBKSRTGQ-UHFFFAOYSA-N 992293 BRD-A11731518-001-01-7 BAY-85-8050 0 100 AlfaAesar L10517 165.044 "N[C@@H](C[C@@H](F)C(O)=O)C(O)=O |&1:1,&2:3,r|" JPSHPWJJSVEEAX-GBXIJSLDSA-N 7005049 BRD-K70463136-001-01-5 BAY-87-2243 0 96.05 MedChemEx HY-15836 BAY 87-2243 525.21 Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)-c1nc(no1)-c1ccc(OC(F)(F)F)cc1 CDJNNOJINJAXPV-UHFFFAOYSA-N 67377767 BRD-K70463136-001-02-9 BAY-87-2243 0 95.92 MedChemEx HY-15836 BAY 87-2243 525.21 Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)-c1nc(no1)-c1ccc(OC(F)(F)F)cc1 CDJNNOJINJAXPV-UHFFFAOYSA-N 67377767 BRD-A05457250-001-08-4 BAY-K-8644-(+/-) 0 92.92 Tocris 1544 (?)-Bay K 8644 356.098 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O |r,c:4,9|" ZFLWDHHVRRZMEI-CYBMUJFWSA-N 6604881 BRD-K14329163-001-03-9 BAY-K-8644-(s)-(-) 0 90.62 Tocris 1546 (S)-(-)-Bay K 8644 356.098 "COC(=O)C1=C(C)NC(C)=C([C@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|" ZFLWDHHVRRZMEI-ZDUSSCGKSA-N 6603728 BRD-K44471774-001-01-8 BAY-W-9798 0 98.03 Vitas-M STK060545 "dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate" 383.134 "COC(=O)C1=C(C)N(C)C(C)=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC |c:4,10|" AVFYPHPSIBAAME-UHFFFAOYSA-N 2167221 BRD-K00003357-001-01-9 BAY1125976 0 93.59 MedChemEx HY-100018 BAY1125976 383.175 NC(=O)c1ccc2nc(c(-c3ccccc3)n2n1)-c1ccc(cc1)C1(N)CCC1 JBGYKRAZYDNCNV-UHFFFAOYSA-N 70817911 BRD-K00003143-001-01-9 BAY1217389 0 97.87 MedChemEx HY-12859 BAY1217389 561.18 COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F WNEILUNVMHVMPH-UHFFFAOYSA-N 78320750 BRD-K66830666-001-01-9 BAZ2-ICR 0 86.63 Tocris 5266 BAZ2-ICR 357.17 Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1 RRZVGDGTWNQAPW-UHFFFAOYSA-N 91654625 BRD-K66830666-001-02-7 BAZ2-ICR 0 98.89 Tocris 5266 BAZ2-ICR 357.17 Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1 RRZVGDGTWNQAPW-UHFFFAOYSA-N 91654625 BRD-K90195324-015-04-9 bazedoxifene 0 85.18 Tocris 5263 Bazedoxifene acetate 470.257 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 UCJGJABZCDBEDK-UHFFFAOYSA-N 154257 BRD-K90195324-015-01-1 bazedoxifene 0 81.53 Tocris 5263 Bazedoxifene acetate 470.257 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 UCJGJABZCDBEDK-UHFFFAOYSA-N 154257 BRD-K90195324-003-02-5 bazedoxifene 0 87.25 Selleck S2128 Bazedoxifene HCl 470.257 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 UCJGJABZCDBEDK-UHFFFAOYSA-N 154257 BRD-K90195324-003-03-3 bazedoxifene 0 93.15 Selleck S2128 Bazedoxifene HCl 470.257 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 UCJGJABZCDBEDK-UHFFFAOYSA-N 154257 BRD-K14646328-004-02-9 BC-11 0 95.59 Tocris 4372 BC 11 hydrobromide 210.063 NC(=N)SCc1ccc(cc1)B(O)O KDQVMGQHPAKJAN-UHFFFAOYSA-N 60126757 BRD-K14646328-004-01-6 BC-11 0 78.51 Tocris 4372 BC 11 hydrobromide 210.063 NC(=N)SCc1ccc(cc1)B(O)O KDQVMGQHPAKJAN-UHFFFAOYSA-N 60126757 BRD-K23672206-001-02-9 BCI-540 0 97.48 MedChemEx HY-17553 Coluracetam 341.174 Cc1oc2nc3CCCCc3c(NC(=O)CN3CCCC3=O)c2c1C PSPGQHXMUKWNDI-UHFFFAOYSA-N 214346 BRD-K23672206-001-01-4 BCI-540 0 99.63 MedChemEx HY-17553 Coluracetam 341.174 Cc1oc2nc3CCCCc3c(NC(=O)CN3CCCC3=O)c2c1C PSPGQHXMUKWNDI-UHFFFAOYSA-N 214346 BRD-K66541497-001-01-7 BCTC 0 89.31 Tocris 3875 BCTC 372.172 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 ROGUAPYLUCHQGK-UHFFFAOYSA-N 9929425 BRD-K66541497-001-02-9 BCTC 0 93.69 Tocris 3875 BCTC 372.172 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 ROGUAPYLUCHQGK-UHFFFAOYSA-N 9929425 BRD-K90472149-066-01-0 BCX-1470 0 94.08 MedChemEx HY-50875 BCX 1470 (methanesulfonate) 302.018 NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 OTGQTQBPQCRNRG-UHFFFAOYSA-N 9822205 BRD-K17008822-303-02-1 BD-1008 0 91 Tocris 511 BD 1008 dihydrobromide 300.116 CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 ASGIQUHBAVIOTI-UHFFFAOYSA-N 126388 BRD-K36864847-303-03-3 BD-1047 0 77.27 Tocris 956 BD 1047 dihydrobromide 274.1 CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1 MGVRNMUKTZOQOW-UHFFFAOYSA-N 188914 BRD-K36864847-303-02-5 BD-1047 0 94.48 Tocris 956 BD 1047 dihydrobromide 274.1 CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1 MGVRNMUKTZOQOW-UHFFFAOYSA-N 188914 BRD-K29668683-300-02-2 BD-1063 0 96.05 Tocris 883 BD 1063 dihydrochloride 272.085 CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 SUIZRDJCBVPASY-UHFFFAOYSA-N 574780 BRD-A24429032-003-03-2 BE-2254 0 0 Biotrend BN0248 "2-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-3,4-dihydro-1(2H)-naphthalenone hydrochloride" 295.157 Oc1ccc(CCNC[C@H]2CCc3ccccc3C2=O)cc1 |r| PZZOEXPDTYIBPI-MRXNPFEDSA-N 86308637 BRD-A24429032-003-02-4 BE-2254 0 32.4 Tocris 535 HEAT hydrochloride 295.157 Oc1ccc(CCNC[C@H]2CCc3ccccc3C2=O)cc1 |r| PZZOEXPDTYIBPI-MRXNPFEDSA-N 86308637 BRD-K00003291-001-01-9 BEBT-908 0 92.39 MedChemEx HY-19763 BEBT-908 507.18 CNc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 TWJZFXHSPBBPNI-UHFFFAOYSA-N 59474330 BRD-K00003128-001-01-9 beclabuvir 0 95.47 MedChemEx HY-12429 Beclabuvir 659.314 COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |THB:27:29:31.32:34.35.37| ZTTKEBYSXUCBSE-QDFUAKMASA-N 56934415 BRD-K44824027-001-03-9 beclamide 0 94.3 MedChemEx HY-B1185 Beclamide 197.061 ClCCC(=O)NCc1ccccc1 JPYQFYIEOUVJDU-UHFFFAOYSA-N 10391 BRD-K44824027-001-02-1 beclamide 0 96.76 MicroSource 1505827 BECLAMIDE 197.061 ClCCC(=O)NCc1ccccc1 JPYQFYIEOUVJDU-UHFFFAOYSA-N 10391 BRD-A73385064-001-01-5 beclomethasone 0 90.36 AvaChem 3053 "9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one" 408.17 "C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CO |&1:1,&2:3,&3:4,&4:13,&5:15,&6:17,&7:20,&8:22,r,c:11,t:7|" NBMKJKDGKREAPL-DGLOSGAVSA-N BRD-K97810537-001-13-6 beclomethasone-dipropionate 0 94.29 MicroSource 1500136 BECLOMETHASONE DIPROPIONATE 520.223 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C |c:25,t:21|" KUVIULQEHSCUHY-XYWKZLDCSA-N 21700 BRD-A11319535-001-03-6 BRD-K97810537-001-15-9 beclomethasone-dipropionate 0 92.83 MedChemEx HY-13571A Beclometasone dipropionate 520.223 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C |c:25,t:21|" KUVIULQEHSCUHY-XYWKZLDCSA-N 21700 BRD-K97810537-001-12-8 beclomethasone-dipropionate 0 98.04 Selleck S3078 Beclomethasone dipropionate 520.223 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C |c:25,t:21|" KUVIULQEHSCUHY-XYWKZLDCSA-N 21700 BRD-K97810537-001-14-4 beclomethasone-dipropionate 0 89.03 Selleck S3078 Beclomethasone dipropionate 520.223 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C |c:25,t:21|" KUVIULQEHSCUHY-XYWKZLDCSA-N 21700 BRD-K97429934-001-01-9|BRD-K76747609-001-02-1 BRD-K90817094-001-05-9 bedaquiline 0 92.56 MedChemEx HY-14881 Bedaquiline 554.157 COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 QUIJNHUBAXPXFS-XLJNKUFUSA-N 5388906 BRD-K90817094-001-02-6 bedaquiline 0 79.81 MedChemEx HY-14881 Bedaquiline 554.157 COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 QUIJNHUBAXPXFS-XLJNKUFUSA-N 5388906 BRD-K90817094-001-03-4 bedaquiline 0 38.09 MedChemEx HY-14881 Bedaquiline 554.157 COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 QUIJNHUBAXPXFS-XLJNKUFUSA-N 5388906 BRD-K99077012-001-01-9 befuraline 0 96.8 Enamine Z27763746 1-(1-benzofuran-2-ylcarbonyl)-4-benzylpiperazine 320.152 O=C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 SRIJFPBZWUFLFD-UHFFFAOYSA-N 68664 BRD-K58319700-001-02-9 begacestat 0 73.79 Tocris 4283 Begacestat 390.954 OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F PSXOKXJMVRSARX-SCSAIBSYSA-N 11269353 BRD-K58319700-001-01-1 begacestat 0 89.43 Sigma PZ0187 "5-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-2-thiophenesulfonamide" 390.954 OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F PSXOKXJMVRSARX-SCSAIBSYSA-N 11269353 BRD-K73425385-001-05-9 bekanamycin 0 99.2 MedChemEx HY-B1174 Bekanamycin 483.254 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O SKKLOUVUUNMCJE-FQSMHNGLSA-N 439318 BRD-K73425385-001-01-9 bekanamycin 0 94.5 Selleck S4383 Bekanamycin 483.254 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O SKKLOUVUUNMCJE-FQSMHNGLSA-N 439318 BRD-K47908102-001-01-9 BRD-K73425385-065-04-8 bekanamycin 0 100 MicroSource 1500812 BEKANAMYCIN SULFATE 483.254 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O SKKLOUVUUNMCJE-FQSMHNGLSA-N 439318 BRD-K17743125-001-08-4 belinostat 0 94.73 Selleck S1085 Belinostat (PXD101) 318.067 ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 NCNRHFGMJRPRSK-MDZDMXLPSA-N 6918638 BRD-K17743125-001-01-9 belinostat 0 CMLD/Broad RLM-2-89 318.067 ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 "InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+" 6918638 BRD-K00003245-001-01-9 belizatinib 0 95.9 MedChemEx HY-17603 Belizatinib 577.343 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r| WSTUJEXAPHIEIM-FEGDYQJNSA-N BRD-K00003160-003-01-9 belotecan 0 97.3 MedChemEx HY-13566A Belotecan (hydrochloride) 433.2 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(CCNC(C)C)c3Cn1c2=O LNHWXBUNXOXMRL-VWLOTQADSA-N 6456014 BRD-K14993104-001-06-9 bemegride 0 86.59 MedChemEx HY-B1326 Bemegride 155.095 CCC1(C)CC(=O)NC(=O)C1 ORRZGUBHBVWWOP-UHFFFAOYSA-N 2310 BRD-K14993104-001-05-9 bemegride 0 90.86 Selleck S4197 Bemegride 155.095 CCC1(C)CC(=O)NC(=O)C1 ORRZGUBHBVWWOP-UHFFFAOYSA-N 2310 BRD-K00004211-001-01-9 bemesetron 0 95.61 Tocris 640 MDL 72222 313.064 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r,THB:0:1:3.4:6.7.8|" MNJNPLVXBISNSX-WDNDVIMCSA-N BRD-A92974210-396-01-0 bemotrizinol 0 0 MicroSource 1503863 BEMOTRIZINOL 627.367 "CCCC[C@H](CC)COc1ccc(c(O)c1)-c1nc(nc(n1)-c1ccc(OC[C@H](CC)CCCC)cc1O)-c1ccc(OC)cc1 |&1:28,&2:4|" XVAMCHGMPYWHNL-MKPDMIMOSA-N 136218979 BRD-A92974210-001-02-9 bemotrizinol 0 0 Sigma 51825 Bemotrizinol 627.367 "CCCC[C@H](CC)COc1ccc(c(O)c1)-c1nc(nc(n1)-c1ccc(OC[C@H](CC)CCCC)cc1O)-c1ccc(OC)cc1 |&1:28,&2:4|" XVAMCHGMPYWHNL-MKPDMIMOSA-N 136218979 BRD-K63177377-001-01-8 bempedoic-acid 0 98.6 MedChemEx HY-12357 ETC-1002 344.256 CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O HYHMLYSLQUKXKP-UHFFFAOYSA-N 10472693 BRD-K85030058-003-16-9 benactyzine 0 93.3 MedChemEx HY-B1542A Benactyzine hydrochloride 327.183 CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 IVQOFBKHQCTVQV-UHFFFAOYSA-N 9330 BRD-K00004531-001-01-9 benaxibine 0 100 Labotest LT00112883 N-(4-carboxyphenyl)-beta-D-glucopyranosylamine 299.101 OC[C@H]1O[C@@H](Nc2ccc(cc2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O VXMVXDITZWJXJN-RMPHRYRLSA-N 7566768 BRD-K49807096-003-16-3 benazepril 0 17.6 MicroSource 1505200 BENAZEPRIL HYDROCHLORIDE 424.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O XPCFTKFZXHTYIP-PMACEKPBSA-N 5362124 BRD-K49807096-003-17-1 benazepril 0 97.52 Tocris 2578 Benazepril hydrochloride 424.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O XPCFTKFZXHTYIP-PMACEKPBSA-N 5362124 BRD-K49807096-003-15-5 benazepril 0 98.78 Tocris 2578 Benazepril hydrochloride 424.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O XPCFTKFZXHTYIP-PMACEKPBSA-N 5362124 BRD-K49807096-003-14-8 benazepril 0 97.88 Selleck S1284 Benazepril HCl 424.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O XPCFTKFZXHTYIP-PMACEKPBSA-N 5362124 BRD-K49807096-003-18-9 benazepril 0 97.59 Tocris 2578 Benazepril hydrochloride 424.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O XPCFTKFZXHTYIP-PMACEKPBSA-N 5362124 BRD-K17068645-003-05-9 bendamustine 0 87.97 Selleck S1212 Bendamustine HCL 357.101 Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl YTKUWDBFDASYHO-UHFFFAOYSA-N 65628 BRD-K17068645-003-04-2 bendamustine 0 88.19 Selleck S1212 Bendamustine HCl 357.101 Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl YTKUWDBFDASYHO-UHFFFAOYSA-N 65628 BRD-K19515365-001-02-6 bendazac 0 97.29 Key KS-1230 [(1-benzyl-1H-indazol-3-yl)oxy]acetic acid 282.1 OC(=O)COc1nn(Cc2ccccc2)c2ccccc12 BYFMCKSPFYVMOU-UHFFFAOYSA-N 2313 BRD-K60379054-001-09-9 bendazol 0 98.22 MedChemEx HY-B2141 Bendazol 208.1 C(c1nc2ccccc2[nH]1)c1ccccc1 YTLQFZVCLXFFRK-UHFFFAOYSA-N 12132 BRD-A80017228-001-25-7 bendroflumethiazide 0 98.28 MicroSource 1503104 BENDROFLUMETHIAZIDE 421.038 "NS(=O)(=O)c1cc2c(N[C@@H](Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F |&1:9,r|" HDWIHXWEUNVBIY-CQSZACIVSA-N 9845085 BRD-A80017228-001-24-0 bendroflumethiazide 0 97.11 Selleck S4387 Bendroflumethiazide 421.038 "NS(=O)(=O)c1cc2c(N[C@@H](Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F |&1:9,r|" HDWIHXWEUNVBIY-CQSZACIVSA-N 9845085 BRD-A80017228-001-27-3 bendroflumethiazide 0 98.72 Selleck S4387 BENDROFUMETHIAZIDE 421.038 "NS(=O)(=O)c1cc2c(N[C@@H](Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F |&1:9,r|" HDWIHXWEUNVBIY-CQSZACIVSA-N 9845085 BRD-K13473780-001-02-1 benethamine 0 99.27 Enamine Z57055797 211.136 C(Cc1ccccc1)NCc1ccccc1 UPABQMWFWCMOFV-UHFFFAOYSA-N 65055 BRD-M11305712-001-07-7 BRD-K00003672-003-01-9 benfluorex 0 96.62 MedChemEx HY-B1058 Benfluorex hydrochloride 351.145 C[C@@H](Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1 |r| CJAVTWRYCDNHSM-AWEZNQCLSA-N 6604374 BRD-K33903083-001-03-5 benfluralin 0 97.41 Sigma MFCD00078630 "N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethylamine" 335.109 CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O SMDHCQAYESWHAE-UHFFFAOYSA-N 2319 BRD-K05319475-396-01-2 benfotiamine 0 12.53 MicroSource 1503105 BENFOTIAMINE 466.108 C\C(N(Cc1cnc(C)nc1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)c1ccccc1 BTNNPSLJPBRMLZ-LGMDPLHJSA-N 3032771 BRD-K05319475-001-04-2 benfotiamine 0 24.5 Selleck S4300 Benfotiamine 466.108 C\C(N(Cc1cnc(C)nc1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)c1ccccc1 BTNNPSLJPBRMLZ-LGMDPLHJSA-N 3032771 BRD-K05319475-001-06-9 benfotiamine 0 92.65 MedChemEx HY-17374 Benfotiamine 466.108 C\C(N(Cc1cnc(C)nc1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)c1ccccc1 BTNNPSLJPBRMLZ-LGMDPLHJSA-N 3032771 BRD-K05319475-001-05-9 benfotiamine 0 93.58 Selleck S4300 benfotiamine 466.108 C\C(N(Cc1cnc(C)nc1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)c1ccccc1 BTNNPSLJPBRMLZ-LGMDPLHJSA-N 3032771 BRD-K97181463-003-02-9 benidipine 0 98.18 Selleck S2017 Benidipine hydrochloride 505.221 COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 QZVNQOLPLYWLHQ-ZEQKJWHPSA-N 656667 BRD-K97181463-003-01-1 benidipine 0 89.02 Selleck S2017 Benidipine HCl 505.221 COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 QZVNQOLPLYWLHQ-ZEQKJWHPSA-N 656667 BRD-K97181463-003-03-7 benidipine 0 0 Selleck S2017 Benidipine HCl 505.221 COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 QZVNQOLPLYWLHQ-ZEQKJWHPSA-N 656667 BRD-K79425933-001-11-9 benperidol 0 96.81 Sigma MFCD00866672 "1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one" 381.185 Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O FEBOTPHFXYHVPL-UHFFFAOYSA-N 16363 BRD-K79425933-001-09-3 benperidol 0 88.46 Prestwick Prestw-484 Benperidol 381.185 Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O FEBOTPHFXYHVPL-UHFFFAOYSA-N 16363 BRD-K01826024-001-01-9 benproperine 0 97.04 AvaChem 1567 1-[2-(2-benzylphenoxy)-1-methylethyl]piperidine 309.209 "C[C@@H](COc1ccccc1Cc1ccccc1)N1CCCCC1 |&1:1,r|" JTUQXGZRVLWBCR-SFHVURJKSA-N 14456347 BRD-A61194565-003-28-8 benserazide 0 0 MicroSource 1500137 BENSERAZIDE HYDROCHLORIDE 257.101 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O BNQDCRGUHNALGH-UHFFFAOYSA-N 657280 BRD-A61194565-003-27-0 benserazide 0 93.52 Selleck S2453 Benserazide HCl 257.101 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O BNQDCRGUHNALGH-UHFFFAOYSA-N 657280 BRD-K58794715-001-01-8 bentiromide 0 85.66 Selleck S4388 Bentiromide 404.137 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 SPPTWHFVYKCNNK-FQEVSTJZSA-N 6957673 BRD-K58794715-001-03-4 bentiromide 0 98.07 Selleck S4388 Bentiromide 404.137 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 SPPTWHFVYKCNNK-FQEVSTJZSA-N 6957673 BRD-K58794715-001-02-6 bentiromide 0 93.46 Selleck S4388 bentiromide 404.137 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 SPPTWHFVYKCNNK-FQEVSTJZSA-N 6957673 BRD-K88553858-001-02-7 benurestat 0 92.03 MicroSource 1505410 BENURESTAT 228.03 ONC(=O)CNC(=O)c1ccc(Cl)cc1 JFZGBMJPJZDNNT-UHFFFAOYSA-N 38000 BRD-K88553858-001-03-9 benurestat 0 94.64 LifeChem F1923-0191 4-chloro-N-(2-(hydroxyamino)-2-oxoethyl)benzamide 228.03 ONC(=O)CNC(=O)c1ccc(Cl)cc1 JFZGBMJPJZDNNT-UHFFFAOYSA-N 38000 BRD-K34234316-003-04-7 benzalkonium 0 0 MicroSource 1503610 BENZALKONIUM CHLORIDE 318.316 CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 VVZBFOKBSDGVGZ-UHFFFAOYSA-N 2330 BRD-K34234316-003-05-4 benzalkonium 0 0 Selleck S5626 BENZALKONIUM CHLORIDE 318.316 CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 VVZBFOKBSDGVGZ-UHFFFAOYSA-N 2330 BRD-K87158025-003-08-7 benzamil 0 94.27 Tocris 3380 Benzamil 319.095 NC(NCc1ccccc1)=NC(=O)c1nc(Cl)c(N)nc1N KXDROGADUISDGY-UHFFFAOYSA-N 108107 BRD-K87158025-001-01-6 benzamil 0 97.72 Enzo NA103 Benzamil HCl 319.095 NC(NCc1ccccc1)=NC(=O)c1nc(Cl)c(N)nc1N KXDROGADUISDGY-UHFFFAOYSA-N 108107 BRD-K97688263-001-03-7 BRD-K87158025-003-09-9 benzamil 0 95.31 Tocris 3380 Benzamil 319.095 NC(NCc1ccccc1)=NC(=O)c1nc(Cl)c(N)nc1N KXDROGADUISDGY-UHFFFAOYSA-N 108107 BRD-K11717138-001-31-9 benzbromarone 0 96.33 Tocris 5420 Benzbromarone 421.915 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 WHQCHUCQKNIQEC-UHFFFAOYSA-N 2333 BRD-K11717138-001-30-3 benzbromarone 0 96.2 MicroSource 1505971 BENZBROMARONE 421.915 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 WHQCHUCQKNIQEC-UHFFFAOYSA-N 2333 BRD-K11717138-001-29-5 benzbromarone 0 95.24 Selleck S4221 Benzbromarone 421.915 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 WHQCHUCQKNIQEC-UHFFFAOYSA-N 2333 BRD-A98083480-001-01-3 "benzenemethanol,-2,5-dimethyl-[[(1-methylethyl)amino]methyl]" 0 83.87 Enamine Z1020681722 207.162 "CC(C)NC[C@@H](O)c1cc(C)ccc1C |&1:5,r|" PHFWPIKQCFQPJY-CYBMUJFWSA-N 92279095 BRD-K72723676-003-17-8 benzethonium 0 99.48 MicroSource 1500138 BENZETHONIUM CHLORIDE 412.322 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 SIYLLGKDQZGJHK-UHFFFAOYSA-N 2335 BRD-K72723676-003-18-9 benzethonium 0 97.46 MedChemEx HY-B0942 Benzethonium chloride 412.322 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 SIYLLGKDQZGJHK-UHFFFAOYSA-N 2335 BRD-K72723676-003-16-0 benzethonium 0 96.04 Selleck S4162 Benzethonium Chloride 412.322 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 SIYLLGKDQZGJHK-UHFFFAOYSA-N 2335 BRD-K56156805-001-09-6 benznidazole 0 86.94 Toronto B197925 Benznidazole 260.091 [O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1 CULUWZNBISUWAS-UHFFFAOYSA-N 31593 BRD-K55160477-001-04-7 benzo[d]thiazole-2(3H)-thione 0 95.36 Ark AK-47877 Benzo[d]thiazole-2(3H)-thione 166.986 S=c1[nH]c2ccccc2s1 YXIWHUQXZSMYRE-UHFFFAOYSA-N 697993 BRD-K75466013-001-14-4 benzocaine 0 99.51 MicroSource 1500139 BENZOCAINE 165.079 CCOC(=O)c1ccc(N)cc1 BLFLLBZGZJTVJG-UHFFFAOYSA-N 2337 BRD-K75466013-001-16-9 benzocaine 0 96.55 MedChemEx HY-Y0258 Benzocaine 165.079 CCOC(=O)c1ccc(N)cc1 BLFLLBZGZJTVJG-UHFFFAOYSA-N 2337 BRD-K75466013-001-13-6 benzocaine 0 93.06 Selleck S4210 Benzocaine 165.079 CCOC(=O)c1ccc(N)cc1 BLFLLBZGZJTVJG-UHFFFAOYSA-N 2337 BRD-A45929034-001-09-5 benzoclidine 0 35.21 MicroSource 1506155 BENZOCLIDINE 231.126 "O=C(O[C@H]1CN2CCC1CC2)c1ccccc1 |&1:3,r|" AHKAOMZZTQULDS-ZDUSSCGKSA-N 6928653 BRD-K26556907-001-01-8 benzofenac 0 99.01 Sigma PH006029 [4-(benzyloxy)-3-chlorophenyl]acetic acid 276.055 OC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1 DFHBBMJTBBLQSA-UHFFFAOYSA-N 91676 BRD-K53397409-001-12-3 benzoic-acid 0 93.95 MicroSource 1503001 BENZOIC ACID 122.037 OC(=O)c1ccccc1 WPYMKLBDIGXBTP-UHFFFAOYSA-N 243 BRD-K53397409-001-11-5 benzoic-acid 0 89.71 Selleck S4161 Benzoic Acid 122.037 OC(=O)c1ccccc1 WPYMKLBDIGXBTP-UHFFFAOYSA-N 243 BRD-K53397409-001-13-1 benzoic-acid 0 98.16 Selleck S4161 Benzoic acid 122.037 OC(=O)c1ccccc1 WPYMKLBDIGXBTP-UHFFFAOYSA-N 243 BRD-A55748233-001-08-7 benzoin 0 99.28 Enamine Z57160197 212.084 "O[C@@H](C(=O)c1ccccc1)c1ccccc1 |&1:1,r|" ISAOCJYIOMOJEB-CYBMUJFWSA-N 640038 BRD-A55748233-001-12-9 benzoin 0 96.94 MedChemEx HY-B1550 Benzoin 212.084 "O[C@@H](C(=O)c1ccccc1)c1ccccc1 |&1:1,r|" ISAOCJYIOMOJEB-CYBMUJFWSA-N 640038 BRD-K91699951-001-10-2 benzonatate 0 99.74 MicroSource 1503864 BENZONATATE 603.362 CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC MAFMQEKGGFWBAB-UHFFFAOYSA-N 7699 BRD-K18772613-303-03-9 benzoquinonium-dibromide 0 92.73 Tocris 424 Benzoquinonium dibromide 546.393 "CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1 |c:30,t:9|" YERABYSOHUZTPQ-UHFFFAOYSA-P 9394 BRD-K18772613-303-02-4 benzoquinonium-dibromide 0 91.5 Tocris 424 Benzoquinonium dibromide 546.393 "CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1 |c:30,t:9|" YERABYSOHUZTPQ-UHFFFAOYSA-P 9394 BRD-K33219230-001-07-9 benzotript 0 97.86 Vitas-M STK096133 CR 501 342.077 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 QJERBBQXOMUURJ-INIZCTEOSA-N 2060890 BRD-K70327191-001-02-2 benzoxiquine 0 99.67 MicroSource 1505411 BENZOXIQUINE 249.079 O=C(Oc1cccc2cccnc12)c1ccccc1 BHKPHCKISVSDGV-UHFFFAOYSA-N 6855 BRD-K59986511-001-04-9 benzoyl-peroxide 0 0 MicroSource 1503004 BENZOYL PEROXIDE 242.058 O=C(OOC(=O)c1ccccc1)c1ccccc1 OMPJBNCRMGITSC-UHFFFAOYSA-N 7187 BRD-K59986511-001-06-4 benzoyl-peroxide 0 0 Sigma MFCD00003071 diphenylperoxyanhydride 242.058 O=C(OOC(=O)c1ccccc1)c1ccccc1 OMPJBNCRMGITSC-UHFFFAOYSA-N 7187 BRD-K20431737-001-08-1 benzoylpas 0 84.56 MicroSource 1505413 BENZOYLPAS 257.069 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O GNZCRYWFWKFIDM-UHFFFAOYSA-N 10718 BRD-K20431737-001-09-9 benzoylpas 0 97.57 Vitas-M STL062186 4-(benzoylamino)-2-hydroxybenzoic acid 257.069 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O GNZCRYWFWKFIDM-UHFFFAOYSA-N 10718 BRD-K21450440-001-14-6 benzthiazide 0 99.29 MicroSource 1500141 BENZTHIAZIDE 430.983 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)=CSCc2ccccc2)cc1Cl MQMCZGVMQZPYQA-UHFFFAOYSA-N 132458842 BRD-K21450440-001-13-8 benzthiazide 0 97.93 Selleck S4308 Benzthiazide 430.983 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)=CSCc2ccccc2)cc1Cl MQMCZGVMQZPYQA-UHFFFAOYSA-N 132458842 BRD-K21450440-001-15-3 benzthiazide 0 98.68 Selleck S4308 BENZTHIAZIDE 430.983 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)=CSCc2ccccc2)cc1Cl MQMCZGVMQZPYQA-UHFFFAOYSA-N 132458842 BRD-K68804560-066-03-9 benztropine-mesylate 0 94.73 MedChemEx HY-B0520A Benztropine (mesylate) 307.194 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 GIJXKZJWITVLHI-PMOLBWCYSA-N BRD-K28542495-003-13-5 benzydamine 0 98.35 MicroSource 1505975 BENZYDAMINE HYDROCHLORIDE 309.184 CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 CNBGNNVCVSKAQZ-UHFFFAOYSA-N 12555 BRD-K28542495-003-12-7 benzydamine 0 95.53 Selleck S4165 Benzydamine HCl 309.184 CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 CNBGNNVCVSKAQZ-UHFFFAOYSA-N 12555 BRD-K98494274-001-03-6 benzyl-alcohol 0 0 MicroSource 1502555 BENZYL ALCOHOL 108.058 OCc1ccccc1 WVDDGKGOMKODPV-UHFFFAOYSA-N 244 BRD-K98494274-001-05-1 benzyl-alcohol 0 0 Sigma V800080 phenylmethanol 108.058 OCc1ccccc1 WVDDGKGOMKODPV-UHFFFAOYSA-N 244 BRD-K52072429-001-10-3 benzyl-benzoate 0 0 MicroSource 1503002 BENZYL BENZOATE 212.084 O=C(OCc1ccccc1)c1ccccc1 SESFRYSPDFLNCH-UHFFFAOYSA-N 2345 BRD-K52072429-001-12-9 benzyl-benzoate 0 0 MedChemEx HY-B0935 Benzyl benzoate 212.084 O=C(OCc1ccccc1)c1ccccc1 SESFRYSPDFLNCH-UHFFFAOYSA-N 2345 BRD-K52072429-001-11-1 benzyl-benzoate 0 0 Sigma B6630 benzyl benzoate 212.084 O=C(OCc1ccccc1)c1ccccc1 SESFRYSPDFLNCH-UHFFFAOYSA-N 2345 BRD-K80253852-001-04-4 benzyl-isothiocyanate 0 2.87 MicroSource 1503006 BENZYL ISOTHIOCYANATE 149.03 S=C=NCc1ccccc1 MDKCFLQDBWCQCV-UHFFFAOYSA-N 2346 BRD-K80253852-001-05-9 benzyl-isothiocyanate 0 0 CombiBlocks QE-3408 Benzyl isothiocyanate 149.03 S=C=NCc1ccccc1 MDKCFLQDBWCQCV-UHFFFAOYSA-N 2346 BRD-K23403298-003-01-9 benzyldimethylhexadecylammonium 0 98.49 Acros 40207 "Benzyldimethylhexadecylammonium chloride, hydrate, 97%" 360.363 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 QDYLMAYUEZBUFO-UHFFFAOYSA-N 31203 BRD-K11576103-003-01-1 benzyldimethyloctylammonium 0 96.76 Sigma 689599 "N-benzyl-N,N-dimethyl-1-octanaminium chloride" 248.238 CCCCCCCC[N+](C)(C)Cc1ccccc1 SHFLYPPECXRCFO-UHFFFAOYSA-N 13741 BRD-K55191674-236-06-0 benzylpenicillin 0 85.82 Selleck S4160 Penicillin G Sodium 334.099 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O JGSARLDLIJGVTE-MBNYWOFBSA-N 5904 BRD-K55191674-237-18-3 benzylpenicillin 0 97.54 MicroSource 1500465 PENICILLIN G POTASSIUM 334.099 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O JGSARLDLIJGVTE-MBNYWOFBSA-N 5904 BRD-K55191674-236-07-8 benzylpenicillin 0 51.7 Selleck S4160 Benzylpenicillin sodium 334.099 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O JGSARLDLIJGVTE-MBNYWOFBSA-N 5904 BRD-K47878171-086-08-9 bephenium-hydroxynaphthoate 0 53.1 MedChemEx HY-12639A Bephenium (hydroxynaphthoate) 256.17 C[N+](C)(CCOc1ccccc1)Cc1ccccc1 AVWWVJUMXRXPNF-UHFFFAOYSA-N 19667 BRD-K47878171-086-06-0 bephenium-hydroxynaphthoate 0 97.09 MicroSource 1505778 BEPHENIUM HYDROXYNAPTHOATE 256.17 C[N+](C)(CCOc1ccccc1)Cc1ccccc1 AVWWVJUMXRXPNF-UHFFFAOYSA-N 19667 BRD-K47878171-086-05-2 bephenium-hydroxynaphthoate 0 51.25 Selleck S4389 Bephenium Hydroxynaphthoate 256.17 C[N+](C)(CCOc1ccccc1)Cc1ccccc1 AVWWVJUMXRXPNF-UHFFFAOYSA-N 19667 BRD-K47878171-086-07-8 bephenium-hydroxynaphthoate 0 48.39 Selleck S4389 bephenium hydroxynaphthoate 256.17 C[N+](C)(CCOc1ccccc1)Cc1ccccc1 AVWWVJUMXRXPNF-UHFFFAOYSA-N 19667 BRD-K98624455-074-02-8 bepotastine 0 90.86 Selleck S3037 Bepotastine Besilate 388.155 OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 YWGDOWXRIALTES-NRFANRHFSA-N 25273609 BRD-K98624455-074-03-6 bepotastine 0 99.09 Selleck S3037 Bepotastine Besilate 388.155 OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 YWGDOWXRIALTES-NRFANRHFSA-N 25273609 BRD-A91008255-003-24-8 bepridil 0 84.07 MicroSource 1503106 BEPRIDIL HYDROCHLORIDE 366.267 CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 UIEATEWHFDRYRU-UHFFFAOYSA-N 50088 BRD-A91008255-003-26-3 bepridil 0 91.49 Tocris 4117 Bepridil hydrochloride 366.267 CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 UIEATEWHFDRYRU-UHFFFAOYSA-N 50088 BRD-A91008255-003-25-5 bepridil 0 96.17 Sigma MFCD00065498 N-benzyl-N-[3-isobutoxy-2-(1-pyrrolidinyl)propyl]aniline hydrochloride 366.267 CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 UIEATEWHFDRYRU-UHFFFAOYSA-N 50088 BRD-K14796088-311-27-9 berberine 0 94.36 MedChemEx HY-17577 Berberine (chloride hydrate) 336.124 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC YBHILYKTIRIUTE-UHFFFAOYSA-N 2353 BRD-K14796088-003-26-8 berberine 0 95.66 MicroSource 1500811 BERBERINE CHLORIDE 336.124 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC YBHILYKTIRIUTE-UHFFFAOYSA-N 2353 BRD-K14796088-003-25-0 berberine 0 93.84 Selleck S2271 Berberine HCl 336.124 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC YBHILYKTIRIUTE-UHFFFAOYSA-N 2353 BRD-K12968785-001-13-3 bergapten 0 96.13 MicroSource 300546 BERGAPTEN 216.042 COc1c2ccoc2cc2oc(=O)ccc12 BGEBZHIAGXMEMV-UHFFFAOYSA-N 2355 BRD-K12968785-001-15-9 bergapten 0 98.83 MedChemEx HY-N0370 Bergapten 216.042 COc1c2ccoc2cc2oc(=O)ccc12 BGEBZHIAGXMEMV-UHFFFAOYSA-N 2355 BRD-K12968785-001-12-5 bergapten 0 93.7 Selleck S4239 Bergapten 216.042 COc1c2ccoc2cc2oc(=O)ccc12 BGEBZHIAGXMEMV-UHFFFAOYSA-N 2355 BRD-K04176066-001-09-1 bergenin 0 89.95 MicroSource 1500819 BERGENIN 328.079 COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O YWJXCIXBAKGUKZ-HJJNZUOJSA-N 66065 BRD-K18550767-001-03-6 BRD-K04176066-001-10-9 bergenin 0 97.41 MedChemEx HY-N0017 Bergenin 328.079 COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O YWJXCIXBAKGUKZ-HJJNZUOJSA-N 66065 BRD-K04176066-001-08-3 bergenin 0 97.98 Selleck S2270 Bergenin 328.079 COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O YWJXCIXBAKGUKZ-HJJNZUOJSA-N 66065 BRD-K10196357-003-02-0 besifloxacin 0 93.81 Selleck S3055 Besifloxacin HCl (Besivance) 393.126 N[C@@H]1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 QFFGVLORLPOAEC-SNVBAGLBSA-N 10178705 BRD-K10196357-003-03-9 besifloxacin 0 83.46 MedChemEx HY-17028 Besifloxacin (Hydrochloride) 393.126 N[C@@H]1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 QFFGVLORLPOAEC-SNVBAGLBSA-N 10178705 BRD-K72735080-001-01-0 BET-BAY-002 0 98.68 MedChemEx HY-12421 BET-BAY 002 403.12 Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7| AGYIAWHWIUZNSD-INIZCTEOSA-N 73425805 BRD-K72735080-001-02-9 BET-BAY-002 0 98.81 MedChemEx HY-12421 BET-BAY 002 403.12 Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7| AGYIAWHWIUZNSD-INIZCTEOSA-N 73425805 BRD-K38687824-001-02-5 beta-amyloid-synthesis-inhibitor 0 94.44 Maybridge MO08553 294.112 Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1 GYNDFOLSPPBBIK-UHFFFAOYSA-N 9882580 BRD-K38687824-001-04-9 beta-amyloid-synthesis-inhibitor 0 Broad Institute RS0406 RS0406 294.112 Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1 GYNDFOLSPPBBIK-UHFFFAOYSA-N 9882580 BRD-K74225533-001-08-8 beta-carotene 0 0 Selleck S1767 Beta Carotene 536.438 "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|" OENHQHLEOONYIE-JLTXGRSLSA-N 5280489 BRD-K74225533-001-10-4 beta-carotene 0 0 Selleck S1767 Beta Carotene 536.438 "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|" OENHQHLEOONYIE-JLTXGRSLSA-N 5280489 BRD-K74225533-001-12-0 beta-carotene 0 0 MedChemEx HY-N0411 ?-Carotene 536.438 "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|" OENHQHLEOONYIE-JLTXGRSLSA-N 5280489 BRD-K34538779-001-01-1 BRD-K74225533-001-09-6 beta-carotene 0 0 MicroSource 1500143 beta-CAROTENE [2mM] 536.438 "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|" OENHQHLEOONYIE-JLTXGRSLSA-N 5280489 BRD-K87349602-001-03-8 beta-CCB 0 98.04 Tocris 405 ?-CCB 268.121 CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc21 WGNGIELOOKACSB-UHFFFAOYSA-N 128618 BRD-K87349602-001-04-9 beta-CCB 0 95.28 Tocris 405 beta-CCB 268.121 CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc21 WGNGIELOOKACSB-UHFFFAOYSA-N 128618 BRD-K21045639-001-01-2 beta-elemene 0 0 Sigma 63965 "(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane" 204.188 CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C OPFTUNCRGUEPRZ-QLFBSQMISA-N 6918391 BRD-K95110148-003-02-3 beta-funaltrexamine 0 89.19 Tocris 926 ?-Funaltrexamine hydrochloride 454.21 COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 PQKHESYTSKMWFP-WZJCLRDWSA-N 5311018 BRD-K95110148-003-03-9 beta-funaltrexamine 0 95.47 Tocris 926 beta-Funaltrexamine hydrochloride 454.21 COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 PQKHESYTSKMWFP-WZJCLRDWSA-N 5311018 BRD-K95110148-003-01-5 beta-funaltrexamine 0 95.83 Tocris 926 ?-Funaltrexamine hydrochloride 454.21 COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 PQKHESYTSKMWFP-WZJCLRDWSA-N 5311018 BRD-K39061174-001-01-0 beta-glycerophosphoric-acid 1 0 Vitas-M STL280247 172.014 OCC(CO)OP(O)(O)=O DHCLVCXQIBBOPH-UHFFFAOYSA-N 2526 BRD-M02899238-238-01-6 beta-hydroxy-beta-methylbutyrate 0 97.1 CombiBlocks QC-1944 calcium bis(3-hydroxy-3-methylbutanoate) 118.063 CC(C)(O)CC(O)=O.CC(C)(O)CC(O)=O KORPMXSVHOHPMS-UHFFFAOYSA-N 129010087 BRD-A41387824-001-06-0 beta-hydroxybutyrate 1 0 Vitas-M STL377875 104.047 CC(O)CC(O)=O WHBMMWSBFZVSSR-UHFFFAOYSA-N 441 BRD-K28061410-001-07-4 beta-lapachone 0 56.43 MedChemEx HY-13555 ?-Lapachone 242.094 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5| QZPQTZZNNJUOLS-UHFFFAOYSA-N 3885 BRD-K28061410-001-09-0 beta-lapachone 0 24.09 MedChemEx HY-13555 ?-Lapachone 242.094 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5| QZPQTZZNNJUOLS-UHFFFAOYSA-N 3885 BRD-K28061410-001-05-8 beta-lapachone 0 0 Selleck S7261 Beta-Lapachone 242.094 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5| QZPQTZZNNJUOLS-UHFFFAOYSA-N 3885 BRD-K28061410-001-06-6 beta-lapachone 0 82.91 Selleck S7261 Beta-Lapachone 242.094 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5| QZPQTZZNNJUOLS-UHFFFAOYSA-N 3885 BRD-K21164796-001-02-8 beta-naphthol 0 90.98 MicroSource 1504501 beta-NAPHTHOL 144.058 Oc1ccc2ccccc2c1 JWAZRIHNYRIHIV-UHFFFAOYSA-N 8663 BRD-K91315211-300-15-9 betahistine 0 54.6 MedChemEx HY-B0524A Betahistine (dihydrochloride) 136.1 CNCCc1ccccn1 UUQMNUMQCIQDMZ-UHFFFAOYSA-N 2366 BRD-K91315211-300-06-5 betahistine 0 99.79 MicroSource 1500670 BETAHISTINE HYDROCHLORIDE 136.1 CNCCc1ccccn1 UUQMNUMQCIQDMZ-UHFFFAOYSA-N 2366 BRD-K91315211-300-05-7 betahistine 0 100 Selleck S3176 Betahistine 2HCl 136.1 CNCCc1ccccn1 UUQMNUMQCIQDMZ-UHFFFAOYSA-N 2366 BRD-K12014493-001-02-2 betaine 1 0 MicroSource 1503007 BETAINE HYDROCHLORIDE 118.087 C[N+](C)(C)CC(O)=O KWIUHFFTVRNATP-UHFFFAOYSA-O 248 BRD-M80997309-001-09-2 BRD-K39188321-001-14-9 betamethasone 0 93.39 MedChemEx HY-13570 Betamethasone 392.2 "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" UREBDLICKHMUKA-DVTGEIKXSA-N 9782 BRD-K00025439-001-01-9 betamethasone-acetate 0 93.74 TCI B3165 434.21 "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |c:11,t:7|" AKUJBENLRBOFTD-QZIXMDIESA-N 443967 BRD-M00025439-001-01-9 BRD-K00004736-001-01-9 betamethasone-butyrate-propionate 0 81.08 MedChemEx HY-B0775 Betamethasone-17-butyrate-21-propionate 518.268 "CCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)CC |c:18,t:14|" VXOWJCTXWVWLLC-REGDIAEZSA-N 71470 BRD-K58148589-001-03-6 betamethasone-dipropionate 0 96.86 MicroSource 1503210 "BETAMETHASONE 17,21-DIPROPIONATE" 504.252 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |c:25,t:21|" CIWBQSYVNNPZIQ-XYWKZLDCSA-N 21800 BRD-A66861218-001-04-3 BRD-K58148589-001-04-9 betamethasone-dipropionate 0 94.48 MedChemEx HY-13571 Betamethasone dipropionate 504.252 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |c:25,t:21|" CIWBQSYVNNPZIQ-XYWKZLDCSA-N 21800 BRD-K58148589-001-02-8 betamethasone-dipropionate 0 92.71 Selleck S1688 Betamethasone Dipropionate (Diprolene) 504.252 "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |c:25,t:21|" CIWBQSYVNNPZIQ-XYWKZLDCSA-N 21800 BRD-K95691366-001-01-3 BRD-K00005349-304-01-9 betamethasone-phosphate 0 88.21 Toronto b327030 betamethasone 21-phosphate disodium salt 472.166 "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(O)(O)=O |c:11,t:7|" VQODGRNSFPNSQE-DVTGEIKXSA-N 107782 BRD-K34032314-001-04-1 betamethasone-valerate 0 86.11 MicroSource 1500145 BETAMETHASONE VALERATE 476.257 "CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |c:19,t:15|" SNHRLVCMMWUAJD-SUYDQAKGSA-N 16533 BRD-A80594172-001-04-6 BRD-K34032314-001-02-5 betamethasone-valerate 0 76.09 Selleck S1690 Betamethasone valerate (Betnovate) 476.257 "CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |c:19,t:15|" SNHRLVCMMWUAJD-SUYDQAKGSA-N 16533 BRD-K34032314-001-03-3 betamethasone-valerate 0 78.95 Selleck S1690 Betamethasone valerate (Betnovate) 476.257 "CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |c:19,t:15|" SNHRLVCMMWUAJD-SUYDQAKGSA-N 16533 BRD-K57769959-001-01-6 BRD-K34032314-001-05-8 betamethasone-valerate 0 94.78 Selleck S1690 Betamethasone valerate (Betnovate) 476.257 "CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |c:19,t:15|" SNHRLVCMMWUAJD-SUYDQAKGSA-N 16533 BRD-K82142815-001-20-9 betamipron 0 96.28 MedChemEx HY-B1127 Betamipron 193.074 OC(=O)CCNC(=O)c1ccccc1 CWXYHOHYCJXYFQ-UHFFFAOYSA-N 71651 BRD-K82142815-001-19-1 betamipron 0 96.24 MicroSource 1504244 BETAMIPRON 193.074 OC(=O)CCNC(=O)c1ccccc1 CWXYHOHYCJXYFQ-UHFFFAOYSA-N 71651 BRD-K82142815-001-18-3 betamipron 0 94.7 Selleck S4191 Betamipron 193.074 OC(=O)CCNC(=O)c1ccccc1 CWXYHOHYCJXYFQ-UHFFFAOYSA-N 71651 BRD-K01825592-001-02-9 betaxolol 0 79.72 Selleck S2091 Betaxolol 307.215 "CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 |&1:5,r|" NWIUTZDMDHAVTP-QGZVFWFLSA-N 6093355 BRD-K01825592-001-04-9 betaxolol 0 95.61 Selleck S2091 Betaxolol (Betoptic) 307.215 "CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 |&1:5,r|" NWIUTZDMDHAVTP-QGZVFWFLSA-N 6093355 BRD-K20075662-300-04-0 betazole 0 97.19 Prestwick Prestw-43 Betazole hydrochloride 111.08 NCCc1ccn[nH]1 JXDFEQONERDKSS-UHFFFAOYSA-N 7741 BRD-K00003637-003-01-9 bethanechol 0 68.7 MedChemEx HY-B0406A Bethanechol (chloride) 161.129 C[C@@H](C[N+](C)(C)C)OC(N)=O |r| NZUPCNDJBJXXRF-LURJTMIESA-O 6603779 BRD-K00004305-001-01-9 BETP 0 96.39 Tocris 4778 BETP 406.096 "CC[S@](=O)c1nc(cc(n1)C(F)(F)F)-c1cccc(OCc2ccccc2)c1 |&1:2,r|" NTDFYGSSDDMNHI-NDEPHWFRSA-N 97182196 BRD-K45275534-001-02-9 betrixaban 0 94.98 MedChemEx HY-10268 Betrixaban 451.141 COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 XHOLNRLADUSQLD-UHFFFAOYSA-N 10275777 BRD-K45275534-001-01-3 betrixaban 0 85.59 MedChemEx HY-10268 Betrixaban 451.141 COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 XHOLNRLADUSQLD-UHFFFAOYSA-N 10275777 BRD-K45401373-001-21-7 betulinic-acid 0 90.5 Tocris 3906 Betulinic acid 456.36 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O QGJZLNKBHJESQX-FZFNOLFKSA-N 64971 BRD-K15168723-001-01-7 BRD-K45401373-001-20-9 betulinic-acid 0 96.07 Selleck S3603 Betulinic acid 456.36 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O QGJZLNKBHJESQX-FZFNOLFKSA-N 64971 BRD-K45401373-001-22-5 betulinic-acid 0 85.97 Selleck S3603 Betulinic acid 456.36 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O QGJZLNKBHJESQX-FZFNOLFKSA-N 64971 BRD-K38744518-001-01-7 BRD-K01825622-003-02-9 bevantolol 0 94.05 AKSci 69996 381.171 COc1ccc(CCNC[C@@H](O)COc2cccc(C)c2)cc1OC |&1:10| HXLAFSUPPDYFEO-QGZVFWFLSA-N 36690919 BRD-K00004680-001-01-9 bevenopran 0 96.99 AMS A119986 5-(2-methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide 386.195 COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(cn1)C(N)=O ZGCYVRNZWGUXNQ-UHFFFAOYSA-N 10452732 BRD-K16898998-001-02-9 bevirimat-dimeglumine 0 71.55 MedChemEx HY-N0842 Bevirimat 584.408 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O YJEJKUQEXFSVCJ-WRFMNRASSA-N 457928 BRD-K16898998-001-01-6 bevirimat-dimeglumine 0 87.82 MedChemEx HY-N0842 Bevirimat 584.408 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O YJEJKUQEXFSVCJ-WRFMNRASSA-N 457928 BRD-K00003246-001-01-9 bexagliflozin 0 97.26 MedChemEx HY-17604 Bexagliflozin 464.16 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1 BTCRKOKVYTVOLU-SJSRKZJXSA-N 25195624 BRD-K92441787-001-08-9 bexarotene 0 96.86 Tocris 5819 Bexarotene 348.209 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C NAVMQTYZDKMPEU-UHFFFAOYSA-N 82146 BRD-K92441787-001-04-1 bexarotene 0 98.35 Selleck S2098 Bexarotene 348.209 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C NAVMQTYZDKMPEU-UHFFFAOYSA-N 82146 BRD-K46018455-001-29-9 bezafibrate 0 95.9 MedChemEx HY-B0637 Bezafibrate 361.108 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O IIBYAHWJQTYFKB-UHFFFAOYSA-N 39042 BRD-K46018455-001-27-6 bezafibrate 0 99.25 MicroSource 1502046 BEZAFIBRATE 361.108 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O IIBYAHWJQTYFKB-UHFFFAOYSA-N 39042 BRD-K46018455-001-26-8 bezafibrate 0 96.76 Selleck S4159 Bezafibrate 361.108 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O IIBYAHWJQTYFKB-UHFFFAOYSA-N 39042 BRD-K00003368-001-01-9 BFH772 0 93.37 MedChemEx HY-100419 BFH772 439.114 OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 JNLSTLQFDDAULK-UHFFFAOYSA-N 24756034 BRD-K00003393-300-01-9 BGP-15 0 97.8 MedChemEx HY-100828 BGP-15 278.174 "O[C@H](CONC(=N)c1cccnc1)CN1CCCCC1 |&1:1,r|" MVLOQULXIYSERZ-ZDUSSCGKSA-N 92211270 BRD-K29415052-050-05-5 BGT226 0 98.31 Selleck S2749 NVP-BGT226 534.199 COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1 BMMXYEBLEBULND-UHFFFAOYSA-N 11978790 BRD-K29415052-050-04-8 BGT226 0 88 Selleck S2749 BGT226 (NVP-BGT226) 534.199 COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1 BMMXYEBLEBULND-UHFFFAOYSA-N 11978790 BRD-K29415052-050-06-3 BGT226 0 94.7 Selleck S2749 NVP-BGT226 (BGT226) 534.199 COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1 BMMXYEBLEBULND-UHFFFAOYSA-N 11978790 BRD-K95603879-001-08-9 BHQ 0 100 Tocris 1236 BHQ 222.162 CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C JZODKRWQWUWGCD-UHFFFAOYSA-N 2374 BRD-K95603879-001-07-5 BHQ 0 1.34 Tocris 1236 BHQ 222.162 CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C JZODKRWQWUWGCD-UHFFFAOYSA-N 2374 BRD-K53422148-001-01-8 BI-224436 0 93.15 MedChemEx HY-18595 BI 224436 442.189 Cc1nc2ccccc2c(-c2ccc3OCCc4ccnc2c34)c1[C@H](OC(C)(C)C)C(O)=O MIXIIJCBELCMCZ-VWLOTQADSA-N 66561902 BRD-K64890080-001-13-8 BI-2536 0 97.91 Selleck S1109 BI 2536 521.311 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O XQVVPGYIWAGRNI-JOCHJYFZSA-N 11364421 BRD-K64890080-001-02-1 BI-2536 0 Axon BI-2536 521.311 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O "InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1" 11364421 BRD-K00003120-001-01-9 BI-409306 0 98.6 MedChemEx HY-112831 BI-409306 311.138 Oc1nc(Cc2ccccn2)nc2n(ncc12)C1CCOCC1 BZTIJCSHNVZMES-UHFFFAOYSA-N 135908617 BRD-K73982490-001-02-9 BI-78D3 0 93.17 Tocris 3314 BI 78D3 379.005 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1 QFRLDZGQEZCCJZ-UHFFFAOYSA-N 2747117 BRD-K73982490-001-03-7 BI-78D3 0 94.21 Tocris 3314 BI 78D3 379.005 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1 QFRLDZGQEZCCJZ-UHFFFAOYSA-N 2747117 BRD-K73982490-001-01-1 BI-78D3 0 98.15 Sigma B3063 BI-78D3 379.005 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1 QFRLDZGQEZCCJZ-UHFFFAOYSA-N 2747117 BRD-K37492701-001-01-1 BI-847325 0 91.92 Selleck S7843 BI-847325 464.221 CCNC(=O)C#Cc1ccc2\C(=C(/Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 FLBNLJLONKAPLR-BYYHNAKLSA-N BRD-K37492701-001-02-9 BI-847325 0 93.58 Selleck S7843 464.221 CCNC(=O)C#Cc1ccc2\C(=C(/Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 FLBNLJLONKAPLR-BYYHNAKLSA-N BRD-A81370665-001-06-9 BI-D1870 0 88.65 MedChemEx HY-10510 BI-D1870 391.182 "CC(C)CCN1[C@@H](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 |&1:6,r|" DTEKTGDVSARYDS-NSHDSACASA-N 44141268 BRD-A81370665-001-04-4 BI-D1870 0 72.25 Selleck S2843 BI-D1870 391.182 "CC(C)CCN1[C@@H](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 |&1:6,r|" DTEKTGDVSARYDS-NSHDSACASA-N 44141268 BRD-A81370665-001-03-6 BI-D1870 0 81.63 Selleck S2843 BI-D1870 391.182 "CC(C)CCN1[C@@H](C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 |&1:6,r|" DTEKTGDVSARYDS-NSHDSACASA-N 44141268 BRD-K00004735-001-01-9 BIA-10-2474 0 94.87 MedChemEx HY-19740 BIA 10-2474 300.159 CN(C1CCCCC1)C(=O)n1cnc(c1)-c1ccc[n+]([O-])c1 DOWVMJFBDGWVML-UHFFFAOYSA-N 46831476 BRD-A80321291-001-05-7 biapenem 0 0 MedChemEx HY-13573 Biapenem 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-A80321291-001-04-0 biapenem 0 26.2 Sigma MFCD00864863 "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(5H,6H,7H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-A80321291-001-06-5 biapenem 0 0 MedChemEx HY-13573 Biapenem 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-A80321291-001-01-6 biapenem 0 0 MedChemEx HY-13573 Biapenem 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-A80321291-001-02-4 biapenem 0 0 Selleck S1370 Biapenem 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-A66479836-001-03-8 BRD-A80321291-001-03-2 biapenem 0 74.7 Selleck S1370 Biapenem 351.113 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |a:1,3,4,5,&1:9,c:18|" MRMBZHPJVKCOMA-YJFSRANCSA-O 71340 BRD-K43927145-001-02-0 BIBN4096 0 77.99 MedChemEx HY-10095 Olcegepant 867.207 NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 ITIXDWVDFFXNEG-JHOUSYSJSA-N 6918509 BRD-K43927145-001-03-8 BIBN4096 0 86.32 MedChemEx HY-10095 Olcegepant 867.207 NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 ITIXDWVDFFXNEG-JHOUSYSJSA-N 6918509 BRD-K43927145-001-01-2 BIBN4096 0 77.11 MedChemEx HY-10095 Olcegepant 867.207 NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 ITIXDWVDFFXNEG-JHOUSYSJSA-N 6918509 BRD-K04623885-001-10-9 BIBR-1532 0 94.94 Tocris 2981 BIBR 1532 331.121 C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1 PGFQXGLPJUCTOI-WYMLVPIESA-N 9927531 BRD-K04623885-001-07-5 BIBR-1532 0 92.79 Selleck S1186 BIBR 1532 331.121 C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1 PGFQXGLPJUCTOI-WYMLVPIESA-N 9927531 BRD-K49294207-300-04-6 BIBU-1361 0 87.14 Tocris 2417 BIBU 1361 dihydrochloride 443.2 CCN(CC)CC1CCN(CC1)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 JUGSLZCFNSTKBN-UHFFFAOYSA-N 17756796 BRD-K49294207-300-03-8 BIBU-1361 0 96.69 Tocris 2417 BIBU 1361 dihydrochloride 443.2 CCN(CC)CC1CCN(CC1)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 JUGSLZCFNSTKBN-UHFFFAOYSA-N 17756796 BRD-K49294207-300-05-9 BIBU-1361 0 89.81 Tocris 2417 BIBU 1361 dihydrochloride 443.2 CCN(CC)CC1CCN(CC1)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 JUGSLZCFNSTKBN-UHFFFAOYSA-N 17756796 BRD-K70914287-300-02-8 BIBX-1382 0 94.43 Tocris 2416 BIBX 1382 dihydrochloride 387.137 CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 FTFRZXFNZVCRSK-UHFFFAOYSA-N 6918508 BRD-K70914287-300-04-9 BIBX-1382 0 94.76 Tocris 2416 BIBX 1382 dihydrochloride 387.137 CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 FTFRZXFNZVCRSK-UHFFFAOYSA-N 6918508 BRD-K70914287-300-03-6 BIBX-1382 0 93.78 Tocris 2416 BIBX 1382 dihydrochloride 387.137 CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 FTFRZXFNZVCRSK-UHFFFAOYSA-N 6918508 BRD-A29485665-001-14-4 bicalutamide 0 95.1 Tocris 3389 Bicalutamide 430.061 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |&1:1| LKJPYSCBVHEWIU-UHFFFAOYSA-N 2375 BRD-A29485665-001-12-8 bicalutamide 0 98.74 MicroSource 1504827 BICALUTAMIDE 430.061 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |&1:1| LKJPYSCBVHEWIU-UHFFFAOYSA-N 2375 BRD-A29485665-001-11-0 bicalutamide 0 98.04 Selleck S1190 Bicalutamide 430.061 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |&1:1| LKJPYSCBVHEWIU-UHFFFAOYSA-N 2375 BRD-K00004299-003-01-9 bicifadine 0 83.5 Tocris 4357 Bicifadine hydrochloride 173.12 "[H][C@@]12C[C@@]1(CNC2)c1ccc(C)cc1 |&1:1,3,r|" OFYVIGTWSQPCLF-NWDGAFQWSA-N 11715257 BRD-K00003247-001-01-9 bictegravir 0 100 MedChemEx HY-17605 Bictegravir 449.12 [H][C@@]12CC[C@@]([H])(C1)N1C(=O)c3c(O)c(=O)c(cn3C[C@@]1([H])O2)C(=O)NCc1c(F)cc(F)cc1F SOLUWJRYJLAZCX-LYOVBCGYSA-N 90311989 BRD-K84363966-001-12-9 bicuculline-(+) 0 97.87 Tocris 130 (+)-Bicuculline 367.106 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 IYGYMKDQCDOMRE-ZWKOTPCHSA-N 10237 BRD-K19094907-003-16-9 bicuculline-methochloride-(-) 0 97.01 Tocris 131 (-)-Bicuculline methochloride 382.129 C[N+]1(C)CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 WDIQXKYUSINZME-RBUKOAKNSA-N 104872 BRD-K16546375-001-01-4 bicyclol 0 98.42 Sigma B3313 "methyl 5'-(hydroxymethyl)-7,7'-dimethoxy-4,4'-bibenzo[d][1,3]dioxole-5-carboxylate" 390.095 COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1CO KXMTXZACPVCDMH-UHFFFAOYSA-N 9821754 BRD-K18779551-003-08-6 bifemelane 0 95.87 Tocris 767 Bifemelane hydrochloride 269.178 CNCCCCOc1ccccc1Cc1ccccc1 QSQQPMHPCBLLGX-UHFFFAOYSA-N 2377 BRD-K18779551-003-09-9 bifemelane 0 96.76 Tocris 767 Bifemelane hydrochloride 269.178 CNCCCCOc1ccccc1Cc1ccccc1 QSQQPMHPCBLLGX-UHFFFAOYSA-N 2377 BRD-K18779551-003-07-8 bifemelane 0 94.62 Tocris 767 Bifemelane 269.178 CNCCCCOc1ccccc1Cc1ccccc1 QSQQPMHPCBLLGX-UHFFFAOYSA-N 2377 BRD-K26581543-001-01-6 bifendate 0 99.86 AKSci H367 418.09 COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC JMZOMFYRADAWOG-UHFFFAOYSA-N 108213 BRD-A94543220-001-24-7 bifonazole 0 98.98 MicroSource 1505309 BIFONAZOLE 310.147 "c1cn(cn1)[C@@H](c1ccccc1)c1ccc(cc1)-c1ccccc1 |&1:5,r|" OCAPBUJLXMYKEJ-QFIPXVFZSA-N 5459391 BRD-A94543220-001-23-9 bifonazole 0 97.69 Selleck S1854 Bifonazole 310.147 "c1cn(cn1)[C@@H](c1ccccc1)c1ccc(cc1)-c1ccccc1 |&1:5,r|" OCAPBUJLXMYKEJ-QFIPXVFZSA-N 5459391 BRD-A94543220-001-26-9 bifonazole 0 99.27 MedChemEx HY-B0301 Bifonazole 310.147 "c1cn(cn1)[C@@H](c1ccccc1)c1ccc(cc1)-c1ccccc1 |&1:5,r|" OCAPBUJLXMYKEJ-QFIPXVFZSA-N 5459391 BRD-K51967704-001-04-4 BIIB021 0 96.56 Tocris 4608 BIIB 021 318.1 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C QULDDKSCVCJTPV-UHFFFAOYSA-N 16736529 BRD-K51967704-001-03-6 BIIB021 0 97.64 Selleck S1175 BIIB021 318.1 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C QULDDKSCVCJTPV-UHFFFAOYSA-N 16736529 BRD-K51937257-001-01-4 bilastine 0 99.77 MedChemEx HY-14447 Bilastine 463.283 CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C(O)=O)CC1 ACCMWZWAEFYUGZ-UHFFFAOYSA-N 40467029 BRD-K51937257-001-02-9 bilastine 0 99.37 MedChemEx HY-14447 Bilastine 463.283 CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C(O)=O)CC1 ACCMWZWAEFYUGZ-UHFFFAOYSA-N 40467029 BRD-K32039267-001-07-9 bilobalide 0 100 MedChemEx HY-N0076 Bilobalide 326.1 CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]22C(=O)O[C@@H]3OC(=O)[C@H](O)[C@]123 MOLPUWBMSBJXER-YDGSQGCISA-N 73581 BRD-K00003616-001-01-9 bimatoprost 0 96.15 MedChemEx HY-B0191 Bimatoprost 415.272 CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 AQOKCDNYWBIDND-FTOWTWDKSA-N 5311027 BRD-K00004300-003-01-9 BIMU-8 0 97.3 Tocris 4374 BIMU 8 342.206 "CC(C)n1c2ccccc2n(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c1=O |&1:14,16,19|" AFOFVIBWSLOHFR-QDMKHBRRSA-N BRD-K00004296-001-01-9 BINA 0 98.64 Tocris 4048 BINA 454.214 "Cc1c2C(=O)[C@H](Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1 |&1:5,r|" KMKBEESNZAPKMP-AREMUKBSSA-N 86311024 BRD-K36467523-001-03-9 bindarit 0 96.36 MedChemEx HY-B0498 Bindarit 324.147 CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(O)=O MTHORRSSURHQPZ-UHFFFAOYSA-N 71354 BRD-K36467523-001-02-8 bindarit 0 97.84 Selleck S3032 Bindarit 324.147 CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(O)=O MTHORRSSURHQPZ-UHFFFAOYSA-N 71354 BRD-K82244583-001-02-9 binimetinib 0 97 MedChemEx HY-15202 Binimetinib 440.03 Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO ACWZRVQXLIRSDF-UHFFFAOYSA-N 10288191 BRD-K82244583-001-01-3 binimetinib 0 94.6 Selleck S7007 "MEK162 (ARRY-162, ARRY-438162)" 440.03 Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO ACWZRVQXLIRSDF-UHFFFAOYSA-N 10288191 BRD-K03399463-001-01-6 BIO-1211 0 93.1 Tocris 3910 (2S)-1-((2S)-2-{[(2S)-3-carboxy-2-({(2S)-4-methyl-2-[({4-[(2-toluidinocarbonyl)amino]phenyl}acetyl)amino]pentanoyl}amino)propanoyl]amino}-3-methylbutanoyl)-2-pyrrolidinecarboxylic acid 708.348 CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O NVVGCQABIHSJSQ-KFZSMJGVSA-N 9961766 BRD-K21318844-001-02-9 BIO-5192 0 96.87 Tocris 5051 BIO 5192 816.247 CC(C)C[C@H](N(C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(O)=O MNQBPRHHZPXCKZ-ZDCRTTOTSA-N 10350459 BRD-K21318844-001-01-4 BIO-5192 0 98.15 Tocris 5051 BIO 5192 816.247 CC(C)C[C@H](N(C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(O)=O MNQBPRHHZPXCKZ-ZDCRTTOTSA-N 10350459 BRD-K89210380-001-14-5 biotin 0 88.29 MicroSource 1503009 BIOTIN 244.088 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 171548 BRD-A36603537-001-13-1 BRD-K89210380-001-15-9 biotin 0 84.81 MedChemEx HY-B0511 Biotin 244.088 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 171548 BRD-K89210380-001-13-7 biotin 0 100 Selleck S3130 Biotin (Vitamin B7) 244.088 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 171548 BRD-K95496960-001-01-7 BRD-K47690382-001-03-0 bipenamol 0 81.11 Sigma MFCD00075349 (2-{[2-(aminomethyl)phenyl]sulfanyl}phenyl)methanol 245.087 NCc1ccccc1Sc1ccccc1CO HLAFSNJRKZLMPT-UHFFFAOYSA-N 43961 BRD-K01824983-001-02-9 biperiden 0 97.94 MicroSource 1505514 311.225 "O[C@@](CCN1CCCCC1)([C@@H]1C[C@@H]2C[C@H]1C=C2)c1ccccc1 |&1:12,14,&2:10,&3:1,c:17|" YSXKPIUOCJLQIE-UYWIDEMCSA-N 12147323 BRD-K01824983-001-03-9 biperiden 0 83.46 Tocris 2853 Biperiden hydrochloride 311.225 "O[C@@](CCN1CCCCC1)([C@@H]1C[C@@H]2C[C@H]1C=C2)c1ccccc1 |&1:12,14,&2:10,&3:1,c:17|" YSXKPIUOCJLQIE-UYWIDEMCSA-N 12147323 BRD-K71221037-001-01-6 birinapant 0 82.48 Selleck S7015 Birinapant 806.429 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC PKWRMUKBEYJEIX-DXXQBUJASA-N 49836020 BRD-K71221037-001-02-4 birinapant 0 95.44 Selleck S7015 Birinapant (TL32711) 806.429 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC PKWRMUKBEYJEIX-DXXQBUJASA-N 49836020 BRD-K71221037-001-06-5 birinapant 0 Selleck S7015 Birinapant (TL32711) 806.429 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC "InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1" 49836020 BRD-K64880136-001-02-6 BIRT-377 0 97.8 Tocris 4776 BIRT 377 439.969 CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 FJNJHZQMQRVZEE-GOSISDBHSA-N 9803375 BRD-K64880136-001-01-8 BIRT-377 0 99.01 Stanley ls_0182_012 439.969 CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 FJNJHZQMQRVZEE-GOSISDBHSA-N 9803375 BRD-K16180792-001-01-7 bis(maltolato)oxovanadium(IV) 0 79.05 Carbosynth FB18735 2-methyl-3-((2-methyl-4-oxo-4H-pyran-3-yloxy)(oxo)vanadiooxy)-4H-pyran-4-one 316.987 Cc1occc(=O)c1O[V](=O)Oc1c(C)occc1=O XUOLEICXAPEOSI-UHFFFAOYSA-L 3035454 BRD-K39987650-001-24-1 bisacodyl 0 96.97 MicroSource 1500147 BISACODYL 361.131 CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1 KHOITXIGCFIULA-UHFFFAOYSA-N 2391 BRD-K39987650-001-26-9 bisacodyl 0 95.22 MedChemEx HY-B0557 Bisacodyl 361.131 CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1 KHOITXIGCFIULA-UHFFFAOYSA-N 2391 BRD-K39987650-001-23-3 bisacodyl 0 95.89 Selleck S4047 Bisacodyl 361.131 CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1 KHOITXIGCFIULA-UHFFFAOYSA-N 2391 BRD-K00003395-001-01-9 bisantrene 0 44.78 MedChemEx HY-100875 Bisantrene 398.197 "C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC3=NCCN3)c3ccccc23)N1 |t:2,19|" NJSMWLQOCQIOPE-OCHFTUDZSA-N 5351322 BRD-K06543683-066-02-1 bisindolylmaleimide-IX 0 76.37 Selleck S7207 Ro 31-8220 Mesylate 457.157 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| DSXXEELGXBCYNQ-UHFFFAOYSA-N 5083 BRD-K06543683-066-05-4 bisindolylmaleimide-IX 0 87.1 Tocris 2002 Ro 31-8220 mesylate 457.157 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| DSXXEELGXBCYNQ-UHFFFAOYSA-N 5083 BRD-K06543683-066-03-9 bisindolylmaleimide-IX 0 75.73 Tocris 2002 Ro 31-8220 mesylate 457.157 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| DSXXEELGXBCYNQ-UHFFFAOYSA-N 5083 BRD-K06543683-066-04-7 bisindolylmaleimide-IX 0 95.99 Selleck S7207 Ro 31-8220 Mesylate 457.157 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| DSXXEELGXBCYNQ-UHFFFAOYSA-N 5083 BRD-M02179497-001-01-1 bismuth-oxalate 1 0 MPBio 5201335 BISMUTH OXALATE 687.947 [Bi].[Bi].OC(=O)C(O)=O.OC(=O)C(O)=O.OC(=O)C(O)=O PEBMBOMJLWXKFI-UHFFFAOYSA-N BRD-K01666936-453-01-9 bismuth-subcitrate-potassium 0 0 Selleck S4093 590.011 "OC(=O)C[C@](O)(CC(=O)O[Bi]1OC(=O)C[C@@](O)(CC(O)=O)C(=O)O1)C(O)=O |&1:4,&2:15|" KNOSZBQOKCZXTI-UHFFFAOYSA-K 129856537 BRD-K65978409-001-01-9 bismuth-subgallate 1 0 Sigma MFCD00044980 "2,7-dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid" 393.989 O[Bi]1Oc2cc(cc(O)c2O1)C(O)=O JAONZGLTYYUPCT-UHFFFAOYSA-K 73415769 BRD-K80528473-001-03-0 bismuth-subsalicylate 1 0 MicroSource 1505412 BISMUTH SUBSALICYLATE 361.999 O[Bi]1OC(=O)c2ccccc2O1 ZREIPSZUJIFJNP-UHFFFAOYSA-K 53629521 BRD-K80528473-001-08-9 bismuth-subsalicylate 0 0 MedChemEx HY-B0550 Bismuth Subsalicylate 361.999 O[Bi]1OC(=O)c2ccccc2O1 ZREIPSZUJIFJNP-UHFFFAOYSA-K 53629521 BRD-K80528473-001-04-8 bismuth-subsalicylate 1 5.83 Selleck S4032 Bismuth Subsalicylate 361.999 O[Bi]1OC(=O)c2ccccc2O1 ZREIPSZUJIFJNP-UHFFFAOYSA-K 53629521 BRD-M10663475-001-02-8 BRD-K80528473-001-07-1 bismuth-subsalicylate 1 0 MedChemEx HY-B0550 Bismuth Subsalicylate 361.999 O[Bi]1OC(=O)c2ccccc2O1 ZREIPSZUJIFJNP-UHFFFAOYSA-K 53629521 BRD-K80528473-001-05-5 bismuth-subsalicylate 1 0 Selleck S4032 Bismuth Subsalicylate 361.999 O[Bi]1OC(=O)c2ccccc2O1 ZREIPSZUJIFJNP-UHFFFAOYSA-K 53629521 BRD-M10663475-001-03-6 BRD-M56276249-001-01-1 bismuth(III)-trifluoromethanesulfonate 0 99.14 AlfaAesar L19687 "Bismuth(III) trifluoromethanesulfonate, 99%" 658.86 [Bi].OS(=O)(=O)C(F)(F)F.OS(=O)(=O)C(F)(F)F.OS(=O)(=O)C(F)(F)F BQFARKYNYLKHRD-UHFFFAOYSA-N BRD-K00228584-001-02-9 bisoctrizole 0 0 MedChemEx HY-B0897 Bisoctrizole 658.4 CC(C)(C)CC(C)(C)c1cc(Cc2cc(cc(c2O)-n2nc3ccccc3n2)C(C)(C)CC(C)(C)C)c(O)c(c1)-n1nc2ccccc2n1 FQUNFJULCYSSOP-UHFFFAOYSA-N 3571576 BRD-K00228584-396-01-8 bisoctrizole 0 0 MicroSource 1503866 BISOCTRIZOLE 658.4 CC(C)(C)CC(C)(C)c1cc(Cc2cc(cc(c2O)-n2nc3ccccc3n2)C(C)(C)CC(C)(C)C)c(O)c(c1)-n1nc2ccccc2n1 FQUNFJULCYSSOP-UHFFFAOYSA-N 3571576 BRD-A89175223-051-14-8 bisoprolol 0 90.56 MicroSource 1505704 BISOPROLOL FUMARATE 325.225 CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1 |&1:5| VHYCDWMUTMEGQY-QGZVFWFLSA-N 6604464 BRD-A89175223-051-15-5 bisoprolol 0 83.12 Tocris 914 (?)-Bisoprolol hemifumarate 325.225 CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1 |&1:5| VHYCDWMUTMEGQY-QGZVFWFLSA-N 6604464 BRD-M21493215-051-04-3 BRD-A89175223-051-13-0 bisoprolol 0 89.72 Selleck S1206 Bisoprolol fumarate 325.225 CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1 |&1:5| VHYCDWMUTMEGQY-QGZVFWFLSA-N 6604464 BRD-A89175223-051-16-3 bisoprolol 0 95.41 Selleck S1206 Bisoprolol 325.225 CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1 |&1:5| VHYCDWMUTMEGQY-QGZVFWFLSA-N 6604464 BRD-K41494493-001-13-8 bisphenol-A 0 95.98 Sigma 42088 "4,4'-(propane-2,2-diyl)diphenol" 228.115 CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 IISBACLAFKSPIT-UHFFFAOYSA-N 6623 BRD-K39120595-304-04-7 bithionol 0 97.59 MicroSource 1500148 BITHIONATE SODIUM 353.884 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O JFIOVJDNOJYLKP-UHFFFAOYSA-N 2406 BRD-K39120595-001-03-1 bithionol 0 93.68 MicroSource 1500148 BITHIONOL 353.884 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O "InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H" 2406 BRD-K13756951-001-02-9 bitopertin 0 90.65 MedChemEx HY-10809 Bitopertin 543.106 C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F YUUGYIUSCYNSQR-LBPRGKRZSA-N 24946690 BRD-K13756951-001-01-4 bitopertin 0 99.57 MedChemEx HY-10809 Bitopertin 543.106 C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F YUUGYIUSCYNSQR-LBPRGKRZSA-N 24946690 BRD-K77548206-001-03-9 bitoscanate 0 0 MedChemEx HY-B1160 Bitoscanate 191.982 S=C=Nc1ccc(cc1)N=C=S OMWQUXGVXQELIX-UHFFFAOYSA-N 19958 BRD-K77548206-001-02-9 bitoscanate 0 0 MicroSource 1504502 BITOSCANATE 191.982 S=C=Nc1ccc(cc1)N=C=S OMWQUXGVXQELIX-UHFFFAOYSA-N 19958 BRD-K73504359-019-03-9 bivalirudin 0 89.09 MedChemEx HY-15664 2178.986 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O OIRCOABEOLEUMC-GEJPAHFPSA-N 73952246 BRD-K73504359-001-01-3 bivalirudin 0 93.05 Key HS-2004 "(15S,21S,24S,27S,30S)-15-(2-amino-2-oxoethyl)-1-((S)-1-((S)-2-((S)-1-((R)-2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamido)-5-guanidinopentanoyl)pyrrolidin-2-yl)-24-benzyl-30-((2S,3S)-1-((S)-2-((S);-4-carboxy-1-((S)-4-carboxy-1-((S)-1-((S)-1-carboxy-3-" 2178.986 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O OIRCOABEOLEUMC-GEJPAHFPSA-N 73952246 BRD-K73504359-019-01-5 bivalirudin 0 30.45 MedChemEx HY-15664 Bivalirudin (Trifluoroacetate) 2178.986 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O OIRCOABEOLEUMC-GEJPAHFPSA-N 73952246 BRD-A64231665-019-01-7 BRD-K73504359-019-02-9 bivalirudin 0 90.12 MedChemEx HY-15664 Bivalirudin (Trifluoroacetate) 2178.986 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O OIRCOABEOLEUMC-GEJPAHFPSA-N 73952246 BRD-K26818574-001-06-3 BIX-01294 0 94.12 MedChemEx HY-10587 BIX-01294 490.306 COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 OSXFATOLZGZLSK-UHFFFAOYSA-N 25150857 BRD-K26818574-305-08-4 BIX-01294 0 87.71 Tocris 3364 BIX 01294 490.306 COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 OSXFATOLZGZLSK-UHFFFAOYSA-N 25150857 BRD-K26818574-305-04-3 BIX-01294 0 96.92 Selleck S8006 BIX 01294 490.306 COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 OSXFATOLZGZLSK-UHFFFAOYSA-N 25150857 BRD-K26818574-305-07-6 BIX-01294 0 97.03 Selleck S8006 BIX01294 490.306 COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 OSXFATOLZGZLSK-UHFFFAOYSA-N 25150857 BRD-K20290250-001-02-1 BIX-02188 0 89.83 Selleck S1530 BIX 02188 412.19 CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(N)=O)c2ccccc2)c1 FSZPIAXLCCQFCM-FCQUAONHSA-N BRD-K50394339-001-04-5 BRD-K20290250-001-03-9 BIX-02188 0 96.97 MedChemEx HY-12055 BIX02188 412.19 CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(N)=O)c2ccccc2)c1 FSZPIAXLCCQFCM-FCQUAONHSA-N BRD-K20290250-001-01-3 BIX-02188 0 94.2 Selleck S1530 BIX 02188 412.19 CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(N)=O)c2ccccc2)c1 FSZPIAXLCCQFCM-FCQUAONHSA-N BRD-K50394339-001-03-7 BRD-K73368362-001-08-3 BIX-02189 0 98.67 Tocris 4842 BIX 02189 440.221 CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c2ccccc2)c1 HOMJAAIVTDVQJA-IZHYLOQSSA-N BRD-K73368362-001-07-5 BIX-02189 0 91.44 Selleck S1531 BIX 02189 440.221 CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c2ccccc2)c1 HOMJAAIVTDVQJA-IZHYLOQSSA-N BRD-K75282704-001-02-4 BL-5583 0 99.35 Enamine Z89265777 178.009 OC(=O)c1cc2ccccc2s1 DYSJMQABFPKAQM-UHFFFAOYSA-N 95864 BRD-K61295575-001-03-6 blebbistatin-(-) 0 94.77 Selleck S7099 (-)-Blebbistatin 292.121 Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1 |t:5| LZAXPYOBKSJSEX-GOSISDBHSA-N 5287792 BRD-A75817871-001-06-7 blebbistatin-(+/-) 0 98.19 Tocris 1760 (?)-Blebbistatin 292.121 "Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1 |&1:10,r,t:5|" LZAXPYOBKSJSEX-GOSISDBHSA-N 5287792 BRD-K00004533-001-01-9 bleomycetin 0 69.56 InterBioScreen STOCK1N-47291 Bleomycin 1439.592 C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCNCCCCN QYOAUOAXCQAEMW-DDZPZTJXSA-N 92135919 BRD-K00003588-065-01-9 bleomycin 0 0 MedChemEx HY-17565 Bleomycin (sulfate) 1414.519 [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)[C@@H](O[C@H]([C@H](NC(=O)c2nc(nc(N)c2C)[C@H](CC(N)=O)NC[C@@H](N)C(N)=O)C(=O)N[C@@H](C)[C@H](O)[C@@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc2nc(cs2)-c2nc(cs2)C(=O)NCCC[S+](C)C)c2c[nH]cn2)O[C@H](CO)[C@H](O)[C@H]1O OYVAGSVQBOHSSS-WMBAVFRVSA-O BRD-K25943794-001-03-9 blonanserin 0 98.16 MedChemEx HY-13575 Blonanserin 367.242 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 XVGOZDAJGBALKS-UHFFFAOYSA-N 125564 BRD-K25943794-001-02-3 blonanserin 0 90.29 Selleck S2112 Blonanserin (Lonasen) 367.242 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 XVGOZDAJGBALKS-UHFFFAOYSA-N 125564 BRD-K72898849-001-01-8 BLU9931 0 93.96 MedChemEx HY-12823 BLU9931 508.107 COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 TXEBNKKOLVBTFK-UHFFFAOYSA-N 72710839 BRD-K83157152-001-02-9 BLZ945 0 88.61 MedChemEx HY-12768 BLZ945 398.141 CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 ADZBMFGQQWPHMJ-RHSMWYFYSA-N 46184986 BRD-K94379058-001-05-0 BML-190 0 97.66 Selleck S2854 BML-190 426.135 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 BJSDNVVWJYDOLK-UHFFFAOYSA-N 2415 BRD-K94379058-001-07-9 BML-190 0 97.27 MedChemEx HY-15420 BML-190 426.135 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 BJSDNVVWJYDOLK-UHFFFAOYSA-N 2415 BRD-K94379058-001-06-8 BML-190 0 98.01 Tocris 1383 BML-190 426.135 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 BJSDNVVWJYDOLK-UHFFFAOYSA-N 2415 BRD-K42624714-001-04-1 BML-284 0 97.93 MedChemEx HY-19987 BML-284 350.138 COc1cccc(c1)-c1cc(NCc2ccc3OCOc3c2)nc(N)n1 FABQUVYDAXWUQP-UHFFFAOYSA-N 11210285 BRD-K56509348-003-03-9 BMS-182874 0 78.23 Tocris 1441 BMS 182874 hydrochloride 345.115 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C MJRGSRRZKSJHOE-UHFFFAOYSA-N 122272 BRD-K56509348-003-04-9 BMS-182874 0 97.09 Tocris 1441 BMS 182874 hydrochloride 345.115 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C MJRGSRRZKSJHOE-UHFFFAOYSA-N 122272 BRD-K56509348-003-02-1 BMS-182874 0 58.96 Tocris 1441 BMS 182874 hydrochloride 345.115 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C MJRGSRRZKSJHOE-UHFFFAOYSA-N 122272 BRD-K95609758-001-04-5 BMS-191011 0 95.45 Tocris 2665 BMS 191011 370.033 Oc1ccc(Cl)cc1Cn1nc(oc1=O)-c1ccc(cc1)C(F)(F)F QKOWACXSXTXRKA-UHFFFAOYSA-N 10474339 BRD-K95609758-001-03-7 BMS-191011 0 95.41 Tocris 2665 BMS 191011 370.033 Oc1ccc(Cl)cc1Cn1nc(oc1=O)-c1ccc(cc1)C(F)(F)F QKOWACXSXTXRKA-UHFFFAOYSA-N 10474339 BRD-K95609758-001-05-9 BMS-191011 0 95.79 Tocris 2665 BMS 191011 370.033 Oc1ccc(Cl)cc1Cn1nc(oc1=O)-c1ccc(cc1)C(F)(F)F QKOWACXSXTXRKA-UHFFFAOYSA-N 10474339 BRD-K01231377-001-01-8 BMS-191095 0 96.19 MedChemEx HY-14256 BMS-191095 408.135 CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N SMIKIPXIDLITMP-LEWJYISDSA-N 9822753 BRD-K00004634-001-01-9 BMS-207940 0 96.67 Sigma BM0014 "N-{[2'-{[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl}-4-(1,3-oxazol-2-yl)[1,1'-biphenyl]-2-yl]methyl}-N,3,3-trimethylbutanamide" 536.209 CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C)-c1ncco1)C(=O)CC(C)(C)C ORJRYNKVKJAJPY-UHFFFAOYSA-N 156690 BRD-K00003203-001-01-9 BMS-214662 0 98.26 MedChemEx HY-16111 BMS-214662 489.129 O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1 OLCWFLWEHWLBTO-HSZRJFAPSA-N 448545 BRD-K62814476-001-04-1 BMS-265246 0 97.16 MedChemEx HY-15275 BMS-265246 345.129 CCCCOc1c(cnc2n[nH]cc12)C(=O)c1c(F)cc(C)cc1F SCFMWQIQBVZOQR-UHFFFAOYSA-N 5329775 BRD-K62814476-001-03-3 BMS-265246 0 94.75 Selleck S2014 BMS-265246 345.129 CCCCOc1c(cnc2n[nH]cc12)C(=O)c1c(F)cc(C)cc1F SCFMWQIQBVZOQR-UHFFFAOYSA-N 5329775 BRD-K02950022-001-02-9 BMS-299897 0 97.26 EMDBio 565793-5MG "gamma-Secretase Inhibitor XXIV, BMS299897" 511.083 C[C@@H](N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1CCCC(O)=O IZAOBRWCUGOKNH-OAHLLOKOSA-N 11249248 BRD-K87956243-001-02-9 BMS-309403 0 90.79 Tocris 5258 BMS 309403 474.194 CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 SJRVJRYZAQYCEE-UHFFFAOYSA-N 16122583 BRD-K87956243-001-01-9 BMS-309403 0 96.68 Tocris 5258 BMS 309403 474.194 CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 SJRVJRYZAQYCEE-UHFFFAOYSA-N 16122583 BRD-K13566078-003-07-9 BMS-345541 0 98.32 Tocris 4806 BMS 345541 255.148 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 PSPFQEBFYXJZEV-UHFFFAOYSA-N 9813758 BRD-K13566078-001-02-3 BMS-345541 0 96.8 Selleck S8044 BMS-345541 255.148 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 PSPFQEBFYXJZEV-UHFFFAOYSA-N 9813758 BRD-K13566078-003-06-0 BMS-345541 0 96.97 Tocris 4806 BMS 345541 255.148 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 PSPFQEBFYXJZEV-UHFFFAOYSA-N 9813758 BRD-K43389698-001-07-3 BMS-387032 0 64.08 Selleck S1145 SNS-032 (BMS-387032) 380.134 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 OUSFTKFNBAZUKL-UHFFFAOYSA-N 3025986 BRD-K43389698-001-09-9 BMS-387032 0 92.86 Selleck S1145 SNS-032 (BMS-387032) 380.134 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 OUSFTKFNBAZUKL-UHFFFAOYSA-N 3025986 BRD-K22000702-300-01-4 BMS-470539 0 81.93 Tocris 4053 BMS 470539 dihydrochloride 559.316 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1 GULVVTHHUIIMRL-WUFINQPMSA-N 9915813 BRD-K22000702-300-02-9 BMS-470539 0 93.85 Tocris 4053 BMS 470539 dihydrochloride 559.316 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1 GULVVTHHUIIMRL-WUFINQPMSA-N 9915813 BRD-K34581968-001-04-6 BMS-536924 0 96.98 MedChemEx HY-10262 BMS-536924 479.172 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 ZWVZORIKUNOTCS-OAQYLSRUSA-N 135440466 BRD-K34581968-001-05-3 BMS-536924 0 92.53 Tocris 4774 BMS 536924 479.172 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 ZWVZORIKUNOTCS-OAQYLSRUSA-N 135440466 BRD-K56932272-001-01-1 BMS-566419 0 97.46 Tocris 5492 BMS 566419 487.238 CCN1CCN(CC1)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F XEVJUIZOZCFECP-UHFFFAOYSA-N 9913339 BRD-K56932272-001-02-9 BMS-566419 0 93.38 Tocris 5492 BMS 566419 487.238 CCN1CCN(CC1)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F XEVJUIZOZCFECP-UHFFFAOYSA-N 9913339 BRD-K00003168-003-01-9 BMS-582949 0 96.9 MedChemEx HY-14305A BMS-582949 (hydrochloride) 406.212 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C GDTQLZHHDRRBEB-UHFFFAOYSA-N 10409068 BRD-K20093108-001-02-3 BMS-587101 0 92.65 Key HE-0001 "5-{[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]methyl}-3-thiophenecarboxylic acid" 554.058 CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 NXNKJLOEGWSJGI-BKMJKUGQSA-N 11635371 BRD-K07106112-300-01-2 BMS-599626 0 97.06 Tocris 5022 BMS 599626 dihydrochloride 530.219 Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 LUJZZYWHBDHDQX-QFIPXVFZSA-N 10437018 BRD-K07106112-003-03-8 BMS-599626 0 94.12 Selleck S1056 AC480 (BMS-599626) 530.219 Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 LUJZZYWHBDHDQX-QFIPXVFZSA-N 10437018 BRD-K97883416-001-01-4 BMS-626529 0 98.85 MedChemEx HY-15440 BMS-626529 473.181 COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 QRPZBKAMSFHVRW-UHFFFAOYSA-N 11317439 BRD-K97883416-001-02-9 BMS-626529 0 97.03 MedChemEx HY-15440 Temsavir 473.181 COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 QRPZBKAMSFHVRW-UHFFFAOYSA-N 11317439 BRD-K00004550-001-01-9 BMS-626531 0 85.26 Sigma MFCD18206777 N-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide 443.157 Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 ZZZJRULMCGMYRH-UHFFFAOYSA-N 59749702 BRD-K25991633-001-02-7 BMS-649 0 98.38 Tocris 3411 SR 11237 380.199 CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O ZZUKALQMHNSWTK-UHFFFAOYSA-N 127019 BRD-K25991633-001-01-9 BMS-649 0 99.1 Tocris 3411 SR 11237 380.199 CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O ZZUKALQMHNSWTK-UHFFFAOYSA-N 127019 BRD-K25991633-001-03-9 BMS-649 0 95.42 Tocris 3411 SR 11237 380.199 CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O ZZUKALQMHNSWTK-UHFFFAOYSA-N 127019 BRD-K85649978-001-02-1 BMS-688521 0 99.64 Key KE-0042 "6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]nicotinic acid" 535.081 CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 LILGMDXLRPEBNH-HFZDXXHNSA-N 11699447 BRD-K76239644-001-02-6 BMS-690514 0 94.87 MedChemEx HY-10333 BMS-690514 368.196 COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 CSGQVNMSRKWUSH-IAGOWNOFSA-N 11349170 BRD-K76239644-001-04-9 BMS-690514 0 94.56 MedChemEx HY-10333 BMS-690514 368.196 COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 CSGQVNMSRKWUSH-IAGOWNOFSA-N 11349170 BRD-K76239644-001-01-8 BMS-690514 0 77.92 MedChemEx HY-10333 BMS-690514 368.196 COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 CSGQVNMSRKWUSH-IAGOWNOFSA-N 11349170 BRD-K49555808-001-03-9 BMS-707035 0 96.62 Selleck S1366 BMS-707035 410.106 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)N1CCCCS1(=O)=O VNIWZCGZPBJWBI-UHFFFAOYSA-N 54682040 BRD-K13049116-001-04-0 BMS-754807 0 95.86 MedChemEx HY-10200 BMS-754807 461.209 C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 LQVXSNNAFNGRAH-QHCPKHFHSA-N 24785538 BRD-K13049116-001-03-2 BMS-754807 0 96.93 Selleck S1124 BMS-754807 461.209 C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 LQVXSNNAFNGRAH-QHCPKHFHSA-N 24785538 BRD-K13049116-001-05-7 BMS-754807 0 88.03 Selleck S1124 BMS-754807 461.209 C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 LQVXSNNAFNGRAH-QHCPKHFHSA-N 24785538 BRD-K47200824-001-01-8 BRD-K00004655-001-01-9 BMS-770767 0 94.62 Sigma BM0023 "4-[8-(2-chlorophenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]norbornan-1-ol" 355.109 O[C@@]12CC[C@@](CC1)(C2)c1nnc2c(Oc3ccccc3Cl)cccn12 |r| HNXGIFYHJKEXNA-KDURUIRLSA-N BRD-K40738845-001-05-0 BMS-777607 0 98.03 Selleck S1561 BMS-777607 512.106 CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 VNBRGSXVFBYQNN-UHFFFAOYSA-N 24794418 BRD-K40738845-001-06-9 BMS-777607 0 96.07 MedChemEx HY-12076 BMS 777607 512.106 CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 VNBRGSXVFBYQNN-UHFFFAOYSA-N 24794418 BRD-K00003305-001-01-9 BMS-779788 0 88.43 MedChemEx HY-19919 BMS-779788 508.159 CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O JLPURTXCSILYLW-UHFFFAOYSA-N 59251511 BRD-K55773932-001-03-8 BMS-806 0 97.42 Selleck S2632 BMS-806 (BMS 378806) 406.164 COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 OKGPFTLYBPQBIX-CQSZACIVSA-N 5495818 BRD-K55773932-001-04-9 BMS-806 0 97.51 MedChemEx HY-14134 BMS-378806 406.164 COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 OKGPFTLYBPQBIX-CQSZACIVSA-N 5495818 BRD-K55773932-001-02-0 BMS-806 0 82.63 Selleck S2632 BMS-378806 406.164 COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 OKGPFTLYBPQBIX-CQSZACIVSA-N 5495818 BRD-K00003512-001-01-9 BMS-813160 0 96.58 MedChemEx HY-109593 BMS-813160 484.327 CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C CMVHFGNTABZQJU-HCXYKTFWSA-N 51039119 BRD-K81026553-234-01-8 BMS-817378 0 96.68 MedChemEx HY-18711A c-Met inhibitor 2 578.057 Nc1nccc(Oc2ccc(NC(=O)c3cn(COP(O)(O)=O)cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl KXDZWUPUSDCGDD-UHFFFAOYSA-N 44137813 BRD-K33245965-001-03-4 BMS-833923 0 94.83 MedChemEx HY-13809 BMS-833923 473.222 CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1 KLRRGBHZCJLIEL-UHFFFAOYSA-N 57662985 BRD-K33245965-001-01-8 BMS-833923 0 62.17 Selleck S7138 BMS-833923 473.222 CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1 KLRRGBHZCJLIEL-UHFFFAOYSA-N 57662985 BRD-K33245965-001-02-6 BMS-833923 0 84.31 Selleck S7138 BMS-833923 (XL139) 473.222 CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1 KLRRGBHZCJLIEL-UHFFFAOYSA-N 57662985 BRD-K12511835-003-01-2 BMS-863233 0 98.12 MedChemEx HY-15260A XL413 (hydrochloride) 289.062 Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 JJWLXRKVUJDJKG-VIFPVBQESA-N 135564632 BRD-K12511835-003-02-0 BMS-863233 0 94.02 MedChemEx HY-15260A XL413 (hydrochloride) 289.062 Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 JJWLXRKVUJDJKG-VIFPVBQESA-N 135564632 BRD-K29343434-001-02-9 BMS-906024 0 96.07 Sigma BM0018 "(2R,3S)-N1-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide" 556.191 CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C1=O)c1ccccc1 |c:9| AYOUDDAETNMCBW-GSHUGGBRSA-N 66550890 BRD-K00003189-001-01-9 BMS-911543 0 92.83 MedChemEx HY-15270 BMS-911543 432.239 CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 JCINBYQJBYJGDM-UHFFFAOYSA-N 50922691 BRD-K00004721-001-01-9 BMS-935177 0 97.18 MedChemEx HY-101793 BMS-935177 502.2 Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O TVJRDCQUZMGBAB-UHFFFAOYSA-N 70647728 BRD-K22316123-001-01-9 BMS-983970 0 97.52 MedChemEx HY-12419 BMS-983970 518.194 NC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O |t:20| RANYIWAZSQWERN-WLENULPWSA-N 73388374 BRD-K00004586-001-01-9 BMS-986020 0 86.34 MedChemEx HY-100619 BMS-986020 482.184 C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 GQBRZBHEPUQRPL-LJQANCHMSA-N 49792850 BRD-K00004591-001-01-9 BMS-986142 0 96.95 MedChemEx HY-101856 BMS-986142 572.224 Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O ZRYMMWAJAFUANM-INIZCTEOSA-N 86582336 BRD-K00003423-001-01-9 BMS-986158 0 92.64 MedChemEx HY-101567 BMS-986158 495.263 Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O KGERZPVQIRYWRK-GDLZYMKVSA-N 118196485 BRD-K00003110-001-01-9 BMS-986195 0 95.18 MedChemEx HY-112161 BMS-986195 370.181 CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 VJPPLCNBDLZIFG-ZDUSSCGKSA-N 121293929 BRD-K00003418-001-01-9 BMS-986205 0 95.85 MedChemEx HY-101560 Linrodostat 410.156 [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 KRTIYQIPSAGSBP-ZACQAIPSSA-N BRD-K15119094-001-01-1 BMS-CCR2-22 0 98.16 Tocris 3129 BMS CCR2 22 593.228 CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F IBPXYDUJQWENPM-XZOQPEGZSA-N 24801690 BRD-K15119094-001-02-9 BMS-CCR2-22 0 97.89 Tocris 3129 BMS CCR2 22 593.228 CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F IBPXYDUJQWENPM-XZOQPEGZSA-N 24801690 BRD-A15435692-003-03-9 BMY-14802 0 91.51 Tocris 1440 BMY 14802 hydrochloride 348.176 O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 |&1:1| ZXUYYZPJUGQHLQ-KRWDZBQOSA-N 10020651 BRD-A15435692-003-02-3 BMY-14802 0 95.41 Tocris 1440 BMY 14802 hydrochloride 348.176 O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 |&1:1| ZXUYYZPJUGQHLQ-KRWDZBQOSA-N 10020651 BRD-K84895041-001-04-9 BMY-45778 0 97.74 Tocris 1442 BMY 45778 438.122 OC(=O)COc1cccc(c1)-c1ocnc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1 DSRSEEYZGWTODH-UHFFFAOYSA-N 127861 BRD-K84895041-001-02-4 BMY-45778 0 87.31 Tocris 1442 BMY 45778 438.122 OC(=O)COc1cccc(c1)-c1ocnc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1 DSRSEEYZGWTODH-UHFFFAOYSA-N 127861 BRD-K31054881-300-07-9 BMY-7378 0 96.27 Tocris 1006 BMY 7378 dihydrochloride 385.237 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 AYYCFGDXLUPJAQ-UHFFFAOYSA-N 2419 BRD-K31054881-300-03-9 BMY-7378 0 96.51 Selleck S2691 BMY 7378 385.237 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 AYYCFGDXLUPJAQ-UHFFFAOYSA-N 2419 BRD-K31054881-300-04-7 BMY-7378 0 97.71 Tocris 1006 BMY 7378 dihydrochloride 385.237 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 AYYCFGDXLUPJAQ-UHFFFAOYSA-N 2419 BRD-K20468903-001-01-6 BNC105 0 94.71 MedChemEx HY-16114 BNC105 372.121 COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)oc2c1O RADMJHVVIZTENA-UHFFFAOYSA-N 24786555 BRD-K20468903-001-02-4 BNC105 0 88.9 MedChemEx HY-16114 BNC105 372.121 COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)oc2c1O RADMJHVVIZTENA-UHFFFAOYSA-N 24786555 BRD-K18722736-050-02-9 BNTX 0 Tocris 899 BNTX maleate 429.194 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)\C(C[C@@]35O)=C\c1ccccc1 WXOUFNFMPVMGFZ-BDQAUFNLSA-N 5310988 BRD-A09735281-001-03-3 boceprevir 0 66.55 MedChemEx HY-10237 Boceprevir 519.342 "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |a:8,13,14,15,&1:19|" LHHCSNFAOIFYRV-ZYNAIFEFSA-N 10324368 BRD-A09735281-001-04-1 boceprevir 0 37.79 MedChemEx HY-10237 Boceprevir 519.342 "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |a:8,13,14,15,&1:19|" LHHCSNFAOIFYRV-ZYNAIFEFSA-N 10324368 BRD-A09735281-001-02-5 boceprevir 0 82.09 MedChemEx HY-10237 Boceprevir 519.342 "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |a:8,13,14,15,&1:19|" LHHCSNFAOIFYRV-ZYNAIFEFSA-N 10324368 BRD-K34149328-001-01-3 bonaphthone 0 14.06 Vitas-M STK028617 235.947 Brc1ccc2C(=O)C(=O)C=Cc2c1 |c:9| MXWZRRPNVLCHMY-UHFFFAOYSA-N 23384 BRD-K34149328-001-02-1 bonaphthone 0 0 AMS A000684624 "6-bromo-1,2-naphthalenedione" 235.947 Brc1ccc2C(=O)C(=O)C=Cc2c1 |c:9| MXWZRRPNVLCHMY-UHFFFAOYSA-N 23384 BRD-K01825685-035-01-9 bopindolol 0 91.96 Enzo AR100 Bopindolol malonate 484.221 Cc1cc2c(OC[C@@H](CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 |&1:7| UUOJIACWOAYWEZ-GOSISDBHSA-N 13302097 BRD-A41385909-001-02-1 bornyl-acetate 1 0 Vitas-M STK079562 "1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate" 196.146 "CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C |&1:4,&2:6,&3:9,r,TLB:3:4:7.8:11|" KGEKLUUHTZCSIP-JFGNBEQYSA-N 247573 BRD-A41385909-001-01-3 bornyl-acetate 1 0 MicroSource 1502510 BORNYL ACETATE 196.146 "CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C |&1:4,&2:6,&3:9,r,TLB:3:4:7.8:11|" KGEKLUUHTZCSIP-JFGNBEQYSA-N 247573 BRD-K50122911-001-01-2 boronophenylalanine 0 99.4 Sigma MFCD01075172 (2S)-2-amino-3-[4-(dihydroxyboryl)phenyl]propanoic acid 209.086 N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O NFIVJOSXJDORSP-QMMMGPOBSA-N 150315 BRD-K50122911-001-02-0 boronophenylalanine 0 0 Acros 35892 209.086 N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O NFIVJOSXJDORSP-QMMMGPOBSA-N 150315 BRD-K70071822-001-01-5 BRD-K88510285-001-18-6 bortezomib 0 98.4 MedChemEx HY-10227 Bortezomib 384.197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O GXJABQQUPOEUTA-RDJZCZTQSA-N 387447 BRD-K88510285-001-17-8 bortezomib 0 97.65 Selleck S1013 bortezomib 384.197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O GXJABQQUPOEUTA-RDJZCZTQSA-N 387447 BRD-K88510285-001-25-1 bortezomib 0 0 Selleck S1013 Bortezomib 384.197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O GXJABQQUPOEUTA-RDJZCZTQSA-N 387447 BRD-K50691590-001-05-5 BRD-K88510285-001-22-8 bortezomib 0 97.62 Selleck S1013 Bortezomib 384.197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O GXJABQQUPOEUTA-RDJZCZTQSA-N 387447 BRD-K50691590-001-02-2 BRD-K88510285-001-11-1 bortezomib 0 96.55 Selleck S1013 Bortezomib (PS-341) 384.197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O GXJABQQUPOEUTA-RDJZCZTQSA-N 387447 BRD-K00003111-001-01-9 BOS-172722 0 92.49 MedChemEx HY-112162 BOS-172722 446.254 CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C SGWLRDAOCLITOM-UHFFFAOYSA-N 73386890 BRD-K74763371-002-04-0 bosentan 0 97.9 Selleck S3051 Bosentan Hydrate 551.184 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 GJPICJJJRGTNOD-UHFFFAOYSA-N 104865 BRD-K99964838-001-15-9 bosutinib 0 96.43 Tocris 4361 Bosutinib 529.165 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl UBPYILGKFZZVDX-UHFFFAOYSA-N 5328940 BRD-K99964838-001-12-7 bosutinib 0 99.19 Tocris 4361 Bosutinib 529.165 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl UBPYILGKFZZVDX-UHFFFAOYSA-N 5328940 BRD-K99964838-001-11-9 bosutinib 0 96.44 Selleck S1014 Bosutinib (SKI-606) 529.165 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl UBPYILGKFZZVDX-UHFFFAOYSA-N 5328940 BRD-K45479396-050-02-3 BP-554 0 94.12 Tocris 556 BP 554 maleate 340.179 C(COc1ccc2OCOc2c1)CN1CCN(CC1)c1ccccc1 VUSNBQDZGKZEDL-UHFFFAOYSA-N 134117 BRD-K45479396-050-03-9 BP-554 0 94.59 Tocris 556 BP 554 maleate 340.179 C(COc1ccc2OCOc2c1)CN1CCN(CC1)c1ccccc1 VUSNBQDZGKZEDL-UHFFFAOYSA-N 134117 BRD-K45479396-050-01-5 BP-554 0 91.56 Tocris 556 BP 554 maleate 340.179 C(COc1ccc2OCOc2c1)CN1CCN(CC1)c1ccccc1 VUSNBQDZGKZEDL-UHFFFAOYSA-N 134117 BRD-K17378184-001-06-9 BP-897 0 98.77 Sigma B9308 BP897 417.242 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 MNHDKMDLOJSCGN-UHFFFAOYSA-N 3038495 BRD-K17378184-300-05-9 BP-897 0 91.72 Prestwick Prestw-559 DO 897/99 417.242 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 MNHDKMDLOJSCGN-UHFFFAOYSA-N 3038495 BRD-K00003554-001-01-9 BQ-123 0 83.68 MedChemEx HY-12378 BQ-123 610.311 [H][C@@]12CCCN1C(=O)[C@@]([H])(CC(O)=O)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC2=O)C(C)C VYCMAAOURFJIHD-PJNXIOHISA-N 443289 BRD-K02490038-236-03-8 BQ-788 0 87.22 MedChemEx HY-15894 BQ-788 (sodium salt) 641.379 CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O LPAHKJMGDSJDRG-DJYQTOCQSA-N 5311032 BRD-K02490038-236-01-2 BQ-788 0 66.89 MedChemEx HY-15894 BQ-788 (sodium salt) 641.379 CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O LPAHKJMGDSJDRG-DJYQTOCQSA-N 5311032 BRD-A40257118-001-02-0 BQU57 0 91.26 MedChemEx HY-12875 BQU57 334.104 "Cc1nn(C)c2OC(=N)C(C#N)[C@@H](c12)c1ccc(cc1)C(F)(F)F |&1:12,r|" QFUFJOJDXRWBNA-YUZLPWPTSA-N BRD-A40257118-001-01-2 BQU57 0 83.82 MedChemEx HY-12875 BQU57 334.104 "Cc1nn(C)c2OC(=N)C(C#N)[C@@H](c12)c1ccc(cc1)C(F)(F)F |&1:12,r|" QFUFJOJDXRWBNA-YUZLPWPTSA-N BRD-K72264770-001-03-2 BRD4770 0 99.57 MedChemEx HY-16705 BRD4770 413.174 COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 UCGWYCMPZXDHNR-UHFFFAOYSA-N 72193870 BRD-K72264770-001-04-0 BRD4770 0 98.01 MedChemEx HY-16705 BRD4770 413.174 COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 UCGWYCMPZXDHNR-UHFFFAOYSA-N 72193870 BRD-K15107389-001-03-6 BRD7389 0 72.56 Tocris 4037 BRD 7389 366.137 O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23 XASCINRGTHLHGM-UHFFFAOYSA-N 1080352 BRD-K15107389-001-02-8 BRD7389 0 Aurora kbsa-0113758 366.137 O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23 "InChI=1S/C24H18N2O2/c27-23-17-10-5-4-9-16(17)21-20-18(23)11-6-12-19(20)26-24(28)22(21)25-14-13-15-7-2-1-3-8-15/h1-12,25H,13-14H2,(H,26,28)" 1080352 BRD-K89329876-001-07-8 BRD9876 0 90.59 Tocris 5454 BRD 9876 234.116 CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N MKILROQBJOOZKC-UHFFFAOYSA-N 613000 BRD-K89329876-001-08-9 BRD9876 0 90.38 Tocris 5454 BRD 9876 234.116 CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N MKILROQBJOOZKC-UHFFFAOYSA-N 613000 BRD-K77841042-001-15-8 brefeldin-A 0 91.13 Tocris 1231 Brefeldin A 280.167 "C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|" KQNZDYYTLMIZCT-KQPMLPITSA-N 5287620 BRD-A84228258-001-05-1 BRD-K77841042-001-19-9 brefeldin-A 0 87.84 Tocris 1231 Brefeldin A 280.167 "C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|" KQNZDYYTLMIZCT-KQPMLPITSA-N 5287620 BRD-K77841042-001-11-7 brefeldin-A 0 95.76 Selleck S7046 Brefeldin A 280.167 "C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|" KQNZDYYTLMIZCT-KQPMLPITSA-N 5287620 BRD-K77841042-001-14-1 brefeldin-A 0 97.85 Tocris 1231 Brefeldin A 280.167 "C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1 |t:5,16|" KQNZDYYTLMIZCT-KQPMLPITSA-N 5287620 BRD-A84228258-001-04-4 BRD-K06328344-015-01-7 bremelanotide 0 91.49 MedChemEx HY-18678A Bremelanotide (Acetate) 1024.524 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O FFHBJDQSGDNCIV-VEUPWBLKSA-N BRD-K96123349-236-02-8 brequinar 0 98.43 EMDBio 508321-10MG "Dihydroorotate Dehydrogenase Inhibitor, Brequinar" 375.107 Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F PHEZJEYUWHETKO-UHFFFAOYSA-N 57030 BRD-K96936751-001-02-2 bretazenil 0 98.49 Tocris 3568 Bretazenil 417.069 CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21 LWUDDYHYYNNIQI-ZDUSSCGKSA-N 107926 BRD-K96936751-001-01-4 bretazenil 0 97.67 Tocris 3568 Bretazenil 417.069 CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21 LWUDDYHYYNNIQI-ZDUSSCGKSA-N 107926 BRD-K96936751-001-03-9 bretazenil 0 97.81 Tocris 3568 Bretazenil 417.069 CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21 LWUDDYHYYNNIQI-ZDUSSCGKSA-N 107926 BRD-K49669424-075-19-2 bretylium 0 40.46 Sigma MFCD00038731 "N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate" 242.054 CC[N+](C)(C)Cc1ccccc1Br AAQOQKQBGPPFNS-UHFFFAOYSA-N 2431 BRD-K49669424-001-01-6 bretylium 0 49.99 MicroSource 1502018 BRETYLIUM TOSYLATE 242.054 CC[N+](C)(C)Cc1ccccc1Br AAQOQKQBGPPFNS-UHFFFAOYSA-N 2431 BRD-K49669424-075-20-9 bretylium 0 47.82 MedChemEx HY-12961A Bretylium (tosylate) 242.054 CC[N+](C)(C)Cc1ccccc1Br AAQOQKQBGPPFNS-UHFFFAOYSA-N 2431 BRD-K00911143-001-01-9 brexpiprazole 0 94.37 MedChemEx HY-15780 Brexpiprazole 433.182 O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 ZKIAIYBUSXZPLP-UHFFFAOYSA-N 11978813 BRD-K00911143-001-02-9 brexpiprazole 0 95.38 MedChemEx HY-15780 Brexpiprazole 433.182 O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 ZKIAIYBUSXZPLP-UHFFFAOYSA-N 11978813 BRD-K05531427-001-01-7 briciclib 0 94.31 MedChemEx HY-16366 Briciclib 474.075 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(OP(O)(O)=O)c2)c(OC)c1 LXENKEWVEVKKGV-BQYQJAHWSA-N 11248490 BRD-K56981171-001-01-0 brigatinib 0 93.49 MedChemEx HY-12857 Brigatinib 583.259 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 AILRADAXUVEEIR-UHFFFAOYSA-N 68165256 BRD-K56981171-001-02-8 brigatinib 0 84.87 MedChemEx HY-12857 Brigatinib 583.259 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 AILRADAXUVEEIR-UHFFFAOYSA-N 68165256 BRD-K60348325-065-09-9 brilliant-green 0 91.76 Acros 22960 "Brilliant Green, pure, high purity biological stain" 385.264 CCN(CC)c1ccc(cc1)[C+](c1ccccc1)c1ccc(cc1)N(CC)CC HXCILVUBKWANLN-UHFFFAOYSA-N 12450 BRD-K68264559-001-14-2 brimonidine 0 89.9 Tocris 425 "UK 14,304" 291.012 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| XYLJNLCSTIOKRM-UHFFFAOYSA-N 2435 BRD-K68264559-045-02-4 brimonidine 0 98.24 Tocris 2466 "UK 14,304 tartrate" 291.012 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| XYLJNLCSTIOKRM-UHFFFAOYSA-N 2435 BRD-K68264559-001-13-4 brimonidine 0 93.1 Tocris 425 "UK 14,304" 291.012 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| XYLJNLCSTIOKRM-UHFFFAOYSA-N 2435 BRD-K68264559-045-03-2 brimonidine 0 87.81 Selleck S4266 Brimonidine Tartrate 291.012 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| XYLJNLCSTIOKRM-UHFFFAOYSA-N 2435 BRD-M06829359-001-01-4 BRD-K68264559-045-04-0 brimonidine 0 99 Selleck S4266 Brimonidine Tartrate 291.012 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| XYLJNLCSTIOKRM-UHFFFAOYSA-N 2435 BRD-M06829359-001-02-2 BRD-K00004672-001-01-9 brincidofovir 0 10.93 Adooq A13326 "CMX001, Cidofovir-HDP, hexadecyloxypropyl-cidofovir" 561.354 CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](CO)Cn1ccc(N)nc1=O WXJFKKQWPMNTIM-VWLOTQADSA-N 483477 BRD-K74913225-001-14-0 brinzolamide 0 1.74 MicroSource 1502418 BRINZOLAMIDE 383.064 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O HCRKCZRJWPKOAR-JTQLQIEISA-N 68844 BRD-A82599487-001-01-9 BRD-K74913225-001-16-9 brinzolamide 0 80.37 MedChemEx HY-B0588 Brinzolamide 383.064 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O HCRKCZRJWPKOAR-JTQLQIEISA-N 68844 BRD-K74913225-001-12-4 brinzolamide 0 88.26 Selleck S3178 Brinzolamide 383.064 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O HCRKCZRJWPKOAR-JTQLQIEISA-N 68844 BRD-K74913225-001-13-2 brinzolamide 0 99.04 Selleck S3178 Brinzolamide 383.064 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O HCRKCZRJWPKOAR-JTQLQIEISA-N 68844 BRD-K28428262-001-04-1 brivanib 0 97.4 Selleck S1084 Brivanib (BMS-540215) 370.144 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C WCWUXEGQKLTGDX-LLVKDONJSA-N 11234052 BRD-K57187269-001-04-0 brivanib-alaninate 0 71.96 MedChemEx HY-10336 Brivanib (alaninate) 441.181 C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N LTEJRLHKIYCEOX-OCCSQVGLSA-N 11154925 BRD-K57187269-001-03-2 brivanib-alaninate 0 46.1 Selleck S1138 Brivanib alaninate (BMS-582664) 441.181 C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N LTEJRLHKIYCEOX-OCCSQVGLSA-N 11154925 BRD-K57187269-001-02-4 brivanib-alaninate 0 73.46 Selleck S1138 Brivanib Alaninate (BMS-582664) 441.181 C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N LTEJRLHKIYCEOX-OCCSQVGLSA-N 11154925 BRD-A63675168-001-01-6 brivudine 0 95.52 TCI B3404 332.001 "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(\C=C\Br)c(=O)[nH]c1=O |a:2,4,&1:6|" ODZBBRURCPAEIQ-PIXDULNESA-N 446727 BRD-K01826777-003-08-9 BRL-15572 0 96.91 Tocris 1207 BRL 15572 hydrochloride 406.181 O[C@@H](CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 |&1:1| QJHCTHPYUOXOGM-DEOSSOPVSA-N 92844253 BRD-K01826777-003-07-9 BRL-15572 0 98.84 Tocris 1207 BRL 15572 hydrochloride 442.158 O[C@@H](CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 |&1:1| QJHCTHPYUOXOGM-DEOSSOPVSA-N 92844253 BRD-A57806482-001-01-4 BRL-26314 0 97.68 Sigma PH000560 N-(4-chlorobenzyl)phenylalanine 289.087 "OC(=O)[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1 |&1:3,r|" SAOHCSVJQIAGDD-OAHLLOKOSA-N 14259155 BRD-K07507905-236-03-4 BRL-37344 0 92.21 Tocris 948 sodium [4-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)phenoxy]acetate 363.124 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 ZGGNJJJYUVRADP-ACJLOTCBSA-N 9841972 BRD-K07507905-236-02-6 BRL-37344 0 85.01 Tocris 948 "BRL 37344, sodium salt" 363.124 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 ZGGNJJJYUVRADP-ACJLOTCBSA-N 9841972 BRD-K01825677-050-02-9 BRL-44408 0 95.6 Tocris 1133 BRL 44408 maleate 215.142 "C[C@H]1N(CC2=NCCN2)Cc2ccccc12 |&1:1,t:4|" SGOFAUSEYBZKDQ-SNVBAGLBSA-N 6604824 BRD-K01825677-050-01-9 BRL-44408 0 12.04 Tocris 1133 BRL 44408 maleate 331.153 "C[C@H]1N(CC2=NCCN2)Cc2ccccc12 |&1:1,t:4|" SGOFAUSEYBZKDQ-SNVBAGLBSA-N 6604824 BRD-K84266862-001-04-0 BRL-50481 0 93.95 Tocris 2237 BRL 50481 244.052 CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O IFIUFCJFLGCQPH-UHFFFAOYSA-N 2921148 BRD-K84266862-001-03-2 BRL-50481 0 98.33 Tocris 2237 BRL 50481 244.052 CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O IFIUFCJFLGCQPH-UHFFFAOYSA-N 2921148 BRD-K84266862-001-06-9 BRL-50481 0 91.69 Tocris 2237 BRL 50481 244.052 CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O IFIUFCJFLGCQPH-UHFFFAOYSA-N 2921148 BRD-A37347161-003-03-9 BRL-52537 0 94.1 Tocris 699 BRL 52537 hydrochloride 354.127 Clc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1Cl |&1:13| GHCCBWMZKJQGLS-OAHLLOKOSA-N 14810948 BRD-A37347161-003-02-6 BRL-52537 0 95.52 Tocris 699 BRL 52537 hydrochloride 354.127 Clc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1Cl |&1:13| GHCCBWMZKJQGLS-OAHLLOKOSA-N 14810948 BRD-K17868609-001-04-3 BRL-54443 0 95.72 Selleck S2852 BRL-54443 230.142 CN1CCC(CC1)c1c[nH]c2ccc(O)cc12 WKNFADCGOAHBPG-UHFFFAOYSA-N 2438 BRD-K17868609-001-06-9 BRL-54443 0 96.31 Tocris 1129 BRL 54443 230.142 CN1CCC(CC1)c1c[nH]c2ccc(O)cc12 WKNFADCGOAHBPG-UHFFFAOYSA-N 2438 BRD-K17868609-001-05-0 BRL-54443 0 96.5 Tocris 1129 BRL 54443 230.142 CN1CCC(CC1)c1c[nH]c2ccc(O)cc12 WKNFADCGOAHBPG-UHFFFAOYSA-N 2438 BRD-K76021681-001-02-2 brolitene 0 0 Vitas-M STK429148 (2E)-N-(2-hydroxyethyl)-3-phenyl-2-propenamide 191.095 OCCNC(=O)\C=C\c1ccccc1 OSCTXCOERRNGLW-VOTSOKGWSA-N 1550874 BRD-K76021681-001-01-4 brolitene 0 0 ChemBridge 5334325 191.095 OCCNC(=O)\C=C\c1ccccc1 OSCTXCOERRNGLW-VOTSOKGWSA-N 1550874 BRD-K86358349-001-02-0 bromantan 0 86.43 Enamine Z1736662073 "(1R,3S,5r,7r)-N-(4-bromophenyl)adamantan-2-amine" 305.078 Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1 LWJALJDRFBXHKX-UHFFFAOYSA-N 4660557 BRD-K86358349-001-01-2 bromantan 0 0 Enamine Z440843598 305.078 Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1 LWJALJDRFBXHKX-UHFFFAOYSA-N 4660557 BRD-K17874929-236-02-0 bromebric-acid 0 91.08 Sigma MFCD00795053 sodium (2Z)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoate 283.968 COc1ccc(cc1)C(=O)C(\Br)=C\C(O)=O UPZFHUODAYGHDZ-TWGQIWQCSA-N 5284375 BRD-K47679368-236-01-7 bromfenac 0 96.65 Selleck S4248 Bromfenac Sodium 333 Nc1c(CC(O)=O)cccc1C(=O)c1ccc(Br)cc1 ZBPLOVFIXSTCRZ-UHFFFAOYSA-N 60726 BRD-K47631482-003-08-9 bromhexine 0 99.28 MedChemEx HY-B0372A Bromhexine (hydrochloride) 373.999 CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 OJGDCBLYJGHCIH-UHFFFAOYSA-N 2442 BRD-K47631482-003-07-0 bromhexine 0 0.56 MicroSource 1503107 BROMHEXINE HYDROCHLORIDE 373.999 CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 OJGDCBLYJGHCIH-UHFFFAOYSA-N 2442 BRD-K47631482-003-06-2 bromhexine 0 98.44 Selleck S2060 Bromhexine HCl 373.999 CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 OJGDCBLYJGHCIH-UHFFFAOYSA-N 2442 BRD-K50490982-001-08-2 bromindione 0 0 MicroSource 1505414 BROMINDIONE 299.979 Brc1ccc(cc1)C1C(=O)c2ccccc2C1=O NPUZIGSOEWMFKK-UHFFFAOYSA-N 14369 BRD-K50490982-001-09-9 bromindione 0 93.64 Sigma MFCD00087378 "2-(4-BROMOPHENYL)-1,3-INDANDIONE" 299.979 Brc1ccc(cc1)C1C(=O)c2ccccc2C1=O NPUZIGSOEWMFKK-UHFFFAOYSA-N 14369 BRD-K00003522-001-01-9 bromisoval 0 89.47 MedChemEx HY-B2113 Bromisoval 222 "CC(C)[C@@H](Br)C(=O)NC(N)=O |&1:3,r|" CMCCHHWTTBEZNM-SCSAIBSYSA-N 146955 BRD-K14496212-066-03-0 bromocriptine 0 0.81 Tocris 427 Bromocriptine mesylate 653.221 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |c:28| OZVBMTJYIDMWIL-AYFBDAFISA-N 31101 BRD-K14496212-066-04-8 bromocriptine 0 93.48 MicroSource 1500151 BROMOCRIPTINE MESYLATE 653.221 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |c:28| OZVBMTJYIDMWIL-AYFBDAFISA-N 31101 BRD-A80151636-066-04-8 BRD-K14496212-066-05-9 bromocriptine 0 94.85 Tocris 427 Bromocriptine mesylate 653.221 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |c:28| OZVBMTJYIDMWIL-AYFBDAFISA-N 31101 BRD-K14496212-066-02-2 bromocriptine 0 82.65 Tocris 427 Bromocriptine mesylate 653.221 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |c:28| OZVBMTJYIDMWIL-AYFBDAFISA-N 31101 BRD-K73642618-001-13-3 bromopride 0 96.6 MicroSource 1503108 BROMOPRIDE 343.09 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC GIYAQDDTCWHPPL-UHFFFAOYSA-N 2446 BRD-K73642618-001-14-9 bromopride 0 97.86 Key HS-0004 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide 343.09 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC GIYAQDDTCWHPPL-UHFFFAOYSA-N 2446 BRD-K44665581-001-03-9 bromosporine 0 96.1 Tocris 4758 Bromosporine 404.127 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 UYBRROMMFMPJAN-UHFFFAOYSA-N 72943187 BRD-K44665581-001-02-6 bromosporine 0 95.34 Tocris 4758 Bromosporine 404.127 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 UYBRROMMFMPJAN-UHFFFAOYSA-N 72943187 BRD-K44665581-001-01-8 bromosporine 0 98.35 Selleck S7233 Bromosporine 404.127 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 UYBRROMMFMPJAN-UHFFFAOYSA-N 72943187 BRD-K78643075-001-11-6 bromperidol 0 98.85 MicroSource 1505972 BROMPERIDOL 419.09 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 RKLNONIVDFXQRX-UHFFFAOYSA-N 2448 BRD-K78643075-001-12-9 bromperidol 0 92.33 MedChemEx HY-B0901 Bromperidol 419.09 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 RKLNONIVDFXQRX-UHFFFAOYSA-N 2448 BRD-K01825159-050-02-9 brompheniramine 0 85.77 MedChemEx HY-B0480 Brompheniramine (maleate) 318.073 CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 |&1:5| ZDIGNSYAACHWNL-HNNXBMFYSA-N 16960 BRD-K33457401-001-02-9 bronopol 1 90.31 MedChemEx HY-B1217 Bronopol 198.948 OCC(Br)(CO)[N+]([O-])=O LVDKZNITIUWNER-UHFFFAOYSA-N 2450 BRD-K33457401-001-01-1 bronopol 1 0 MicroSource 1503732 BRONOPOL 198.948 OCC(Br)(CO)[N+]([O-])=O LVDKZNITIUWNER-UHFFFAOYSA-N 2450 BRD-K17500877-001-04-9 bropirimine 0 97.48 Sigma MFCD01689128 Bropirimine 264.985 Nc1nc(=O)c(Br)c([nH]1)-c1ccccc1 CIUUIPMOFZIWIZ-UHFFFAOYSA-N 135413497 BRD-K17500877-001-02-1 bropirimine 0 99.22 LifeChem F2158-0617 264.985 Nc1nc(=O)c(Br)c([nH]1)-c1ccccc1 CIUUIPMOFZIWIZ-UHFFFAOYSA-N 135413497 BRD-K17500877-001-03-9 bropirimine 0 96.14 Sigma SML0218-10MG Bropirimine 264.985 Nc1nc(=O)c(Br)c([nH]1)-c1ccccc1 CIUUIPMOFZIWIZ-UHFFFAOYSA-N 135413497 BRD-K36222532-001-02-9 broxaldine 0 98.61 MedChemEx HY-B1143 Broxaldine 418.916 Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1 IJTPLVAAROHGGB-UHFFFAOYSA-N 77262 BRD-K36222532-001-01-8 broxaldine 0 96.22 MicroSource 1503742 BROXALDINE 418.916 Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1 IJTPLVAAROHGGB-UHFFFAOYSA-N 77262 BRD-A08316590-001-01-3 broxaterol 0 98.05 Enamine Z2417826612 1-(3-bromo-5-isoxazolyl)-2-(tert-butylamino)ethanol 262.032 "CC(C)(C)NC[C@@H](O)c1cc(Br)no1 |&1:6,r|" JBRBWHCVRGURBA-ZCFIWIBFSA-N 13626987 BRD-K79095980-001-11-9 broxuridine 0 0 Tocris 5015 5-BrdU 305.985 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O WOVKYSAHUYNSMH-RRKCRQDMSA-N 6035 BRD-K79095980-001-09-6 broxuridine 0 94.39 MedChemEx HY-15910 5-BrdU 305.985 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O WOVKYSAHUYNSMH-RRKCRQDMSA-N 6035 BRD-K23301018-001-12-9 broxyquinoline 0 97.98 MedChemEx HY-B1212 Broxyquinoline 300.874 Oc1c(Br)cc(Br)c2cccnc12 ZDASUJMDVPTNTF-UHFFFAOYSA-N 2453 BRD-K23301018-001-10-9 broxyquinoline 0 48.21 MicroSource 1500623 BROXYQUINOLINE 300.874 Oc1c(Br)cc(Br)c2cccnc12 ZDASUJMDVPTNTF-UHFFFAOYSA-N 2453 BRD-K23301018-001-09-1 broxyquinoline 0 4.23 Selleck S4195 Broxyquinoline 300.874 Oc1c(Br)cc(Br)c2cccnc12 ZDASUJMDVPTNTF-UHFFFAOYSA-N 2453 BRD-K23301018-001-11-7 broxyquinoline 0 99.49 Selleck S4195 Broxyquinoline 300.874 Oc1c(Br)cc(Br)c2cccnc12 ZDASUJMDVPTNTF-UHFFFAOYSA-N 2453 BRD-A36057565-001-01-0 bruceantin 0 87.66 MedChemEx HY-N0840 Bruceantin 548.226 "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1[C@@H](C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |a:4,7,8,9,22,24,32,34,35,37,&1:25|" KMCZIPGKKBSLEX-AOHBHZTBSA-N 124605168 BRD-A36057565-001-02-9 bruceantin 0 94.27 MedChemEx HY-N0840 Bruceantin 548.226 "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1[C@@H](C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |a:4,7,8,9,22,24,32,34,35,37,&1:25|" KMCZIPGKKBSLEX-AOHBHZTBSA-N 124605168 BRD-K68077509-330-01-9 brucine 0 97.56 Selleck S4390 BRUCINE 394.189 COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC |t:15| RRKTZKIUPZVBMF-IBTVXLQLSA-N 442021 BRD-K31313613-300-06-9 BS-181 0 95.62 Tocris 5608 BS 181 dihydrochloride 380.269 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 DNYBIOICMDTDAP-UHFFFAOYSA-N 49867929 BRD-K31313613-300-01-8 BS-181 0 96.53 Tocris 5608 BS 181 dihydrochloride 380.269 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 DNYBIOICMDTDAP-UHFFFAOYSA-N 49867929 BRD-K31313613-003-05-9 BS-181 0 95.69 Selleck S1572 BS-181 HCl 380.269 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 DNYBIOICMDTDAP-UHFFFAOYSA-N 49867929 BRD-K31313613-003-04-2 BS-181 0 91.47 Selleck S1572 BS-181 HCl 380.269 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 DNYBIOICMDTDAP-UHFFFAOYSA-N 49867929 BRD-K00003444-001-01-9 BT-11 0 92.84 MedChemEx HY-102013 BT-11 528.202 O=C(N1CCN(CC1)C(=O)c1cccc(n1)-c1nc2ccccc2[nH]1)c1cccc(n1)-c1nc2ccccc2[nH]1 MVHWZNBAQIGPOQ-UHFFFAOYSA-N 121299620 BRD-K37933329-001-01-6 BTB06584 0 0 Selleck S7460 BTB06584 417.007 [O-][N+](=O)c1ccc(cc1OC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 WNDWKKPBLAKXMI-UHFFFAOYSA-N 2799764 BRD-K37933329-001-02-4 BTB06584 0 0 Selleck S7460 BTB06584 417.007 [O-][N+](=O)c1ccc(cc1OC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 WNDWKKPBLAKXMI-UHFFFAOYSA-N 2799764 BRD-K37933329-001-03-9 BTB06584 0 82.92 MedChemEx HY-15877 BTB06584 417.007 [O-][N+](=O)c1ccc(cc1OC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 WNDWKKPBLAKXMI-UHFFFAOYSA-N 2799764 BRD-K89000287-001-01-1 BTB1 0 95.56 Tocris 5399 BTB1 296.986 [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 VZDUQPHKUBZMLW-UHFFFAOYSA-N 291461 BRD-K89000287-001-02-9 BTB1 0 95.75 Tocris 5399 BTB1 296.986 [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 VZDUQPHKUBZMLW-UHFFFAOYSA-N 291461 BRD-K00003437-001-01-9 BTK-IN-1 0 93.86 MedChemEx HY-101941 BTK IN-1 384.147 "Clc1cccc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |&1:11,r|" SPSNKQVUYDXOGY-OAHLLOKOSA-N 68064155 BRD-K64178227-001-10-8 BTS 0 97.51 Tocris 1870 BTS 261.082 Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1 WTHKAJZQYNKTCJ-UHFFFAOYSA-N 95801 BRD-K64178227-001-11-9 BTS 0 89.68 Tocris 1870 BTS 261.082 Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1 WTHKAJZQYNKTCJ-UHFFFAOYSA-N 95801 BRD-K64178227-001-09-0 BTS 0 98.75 Tocris 1870 BTS 261.082 Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1 WTHKAJZQYNKTCJ-UHFFFAOYSA-N 95801 BRD-A68304895-003-03-0 BTS-54505 0 89.3 Tocris 2322 BTS 54-505 hydrochloride 251.144 CC(C)C[C@@H](N)C1(CCC1)c1ccc(Cl)cc1 |&1:4| WQSACWZKKZPCHN-CQSZACIVSA-N 9900576 BRD-A68304895-003-02-2 BTS-54505 0 94.8 Tocris 2322 BTS 54-505 hydrochloride 251.144 CC(C)C[C@@H](N)C1(CCC1)c1ccc(Cl)cc1 |&1:4| WQSACWZKKZPCHN-CQSZACIVSA-N 9900576 BRD-A68304895-003-04-9 BTS-54505 0 93.38 Tocris 2322 BTS 54-505 hydrochloride 251.144 CC(C)C[C@@H](N)C1(CCC1)c1ccc(Cl)cc1 |&1:4| WQSACWZKKZPCHN-CQSZACIVSA-N 9900576 BRD-K00010938-001-01-9 BTS-71321 0 92.03 Enamine Z1592576455 BTS-71321 277.135 CC(C)(NCCCn1ccnc1)c1ccc(Cl)cc1 GRKYRJREJPZXIU-UHFFFAOYSA-N 9863253 BRD-A65793993-001-01-6 BTS-72664 0 98.2 Key 1D-092 "7-[1-(4-chlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine" 274.062 "C[C@@H](Oc1ccc(Cl)cc1)c1ccnc2ncnn12 |&1:1,r|" FCEPUTGEUCVRRI-SECBINFHSA-N 1480409 BRD-K01492390-001-02-9 BTT-3033 0 96.86 Tocris 4724 BTT 3033 465.127 CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(c1)-c1ccc(F)cc1 NSLIQOPYDUKWTA-UHFFFAOYSA-N 49841251 BRD-K01492390-001-01-9 BTT-3033 0 98.48 Tocris 4724 BTT 3033 465.127 CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(c1)-c1ccc(F)cc1 NSLIQOPYDUKWTA-UHFFFAOYSA-N 49841251 BRD-A53037217-001-04-9 BTZ043-racemate 0 94.6 MedChemEx HY-13579A BTZ043 Racemate 431.076 "C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc([N+]([O-])=O)c3s2)C(F)(F)F)O1 |&1:1,r|" GTUIRORNXIOHQR-VIFPVBQESA-N 42609849 BRD-A53037217-001-02-0 BTZ043-racemate 0 98.56 Selleck S1097 BTZ043 Racemate 431.076 "C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc([N+]([O-])=O)c3s2)C(F)(F)F)O1 |&1:1,r|" GTUIRORNXIOHQR-VIFPVBQESA-N 42609849 BRD-K55344148-003-02-6 BU-224 0 98.23 Tocris 725 BU 224 hydrochloride 197.095 C1CN=C(N1)c1ccc2ccccc2n1 |c:2| OSUVWJGCKQEMHK-UHFFFAOYSA-N 2457 BRD-K11696279-003-02-3 BU-239 0 95.93 Tocris 726 BU 239 hydrochloride 198.091 C1CN=C(N1)c1cnc2ccccc2n1 |c:2| MQSSFHXQKUSFIW-UHFFFAOYSA-N 4520732 BRD-K11696279-003-03-1 BU-239 0 97.33 Tocris 726 BU 239 hydrochloride 198.091 C1CN=C(N1)c1cnc2ccccc2n1 |c:2| "InChI=1S/C11H10N4/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)" 4520732 BRD-K56115039-003-03-9 BU226 0 95.88 Tocris 1091 BU 226 hydrochloride 197.095 C1CN=C(N1)c1cc2ccccc2cn1 |c:2| ZXRSVNHYTSSFMN-UHFFFAOYSA-N 3410883 BRD-K56115039-003-02-1 BU226 0 97.75 Tocris 1091 BU 226 hydrochloride 197.095 C1CN=C(N1)c1cc2ccccc2cn1 |c:2| ZXRSVNHYTSSFMN-UHFFFAOYSA-N 3410883 BRD-A88684804-001-04-3 bucetin 0 98.09 MicroSource 1505772 BUCETIN 223.121 "CCOc1ccc(NC(=O)C[C@@H](C)O)cc1 |&1:11,r|" LIAWQASKBFCRNR-SECBINFHSA-N 6918884 BRD-A88684804-001-05-9 bucetin 0 92.15 MedChemEx HY-B0906 Bucetin 223.121 "CCOc1ccc(NC(=O)C[C@@H](C)O)cc1 |&1:11,r|" LIAWQASKBFCRNR-SECBINFHSA-N 6918884 BRD-K24697665-001-02-2 bucillamine 1 96.91 Kemprotec TC508 (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid 223.034 CC(C)(S)C(=O)N[C@@H](CS)C(O)=O VUAFHZCUKUDDBC-BYPYZUCNSA-N 656604 BRD-K24697665-001-01-4 bucillamine 1 0 AKSci K055 223.034 CC(C)(S)C(=O)N[C@@H](CS)C(O)=O VUAFHZCUKUDDBC-BYPYZUCNSA-N 656604 BRD-A94624445-236-18-8 bucladesine 0 85.03 Tocris 1141 "Dibutyryl-cAMP, sodium salt" 469.136 "CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1OC(=O)CCC |a:15,17,24,25,&1:20|" CJGYSWNGNKCJSB-YVLZZHOMSA-N 9687 BRD-A94624445-236-19-9 bucladesine 0 95.32 Tocris 1141 "Dibutyryl-cAMP, sodium salt" 469.136 "CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1OC(=O)CCC |a:15,17,24,25,&1:20|" CJGYSWNGNKCJSB-YVLZZHOMSA-N 9687 BRD-A94624445-236-17-0 bucladesine 0 98.02 Tocris 1141 "Dibutyryl-cAMP, sodium salt" 469.136 "CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1OC(=O)CCC |a:15,17,24,25,&1:20|" CJGYSWNGNKCJSB-YVLZZHOMSA-N 9687 BRD-K01825692-001-01-9 bucladesine 0 85.44 MicroSource 1503043 BUCLADESINE 469.136 "CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1OC(=O)CCC |a:15,17,24,25,&1:20|" CJGYSWNGNKCJSB-YVLZZHOMSA-N 9687 BRD-A94624445-001-01-2|BRD-A94624445-001-01-2|BRD-A94624445-001-01-2 BRD-A91444184-300-01-9 buclizine 0 99.32 Key KS-1250 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine dihydrochloride 432.233 CC(C)(C)c1ccc(CN2CCN(CC2)[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 |&1:15| MOYGZHXDRJNJEP-MHZLTWQESA-N 3246096 BRD-A34299591-001-25-7 budesonide 0 54.98 Sigma MFCD00083259 "(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one" 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-27-3 budesonide 0 35.61 Tocris 2671 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-28-1 budesonide 0 46.61 MedChemEx HY-13580 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-26-5 budesonide 0 49.14 MedChemEx HY-13580 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-30-7 budesonide 0 47.86 Selleck S1286 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-22-4 budesonide 0 52.1 Tocris 2671 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A34299591-001-29-9 budesonide 0 53.99 MicroSource 1500813 BUDESONIDE 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-A60571864-001-04-1 BRD-A34299591-001-31-5 budesonide 0 46.35 Selleck S1286 Budesonide 430.236 "CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |a:5,7,8,17,19,20,23,25,&1:3,c:15,t:11|" VOVIALXJUBGFJZ-AMTWPJRWSA-N 63006 BRD-K17742695-001-01-1 BRD-K18324993-001-01-6 budipine 0 94.36 AQBioPharma ABP10516 BUDIPINE 293.214 CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1 QIHLUZAFSSMXHQ-UHFFFAOYSA-N 68778 BRD-K36660044-001-25-9 bufexamac 0 98.93 MedChemEx HY-B0494 Bufexamac 223.121 CCCCOc1ccc(CC(=O)NO)cc1 MXJWRABVEGLYDG-UHFFFAOYSA-N 2466 BRD-K36660044-001-24-2 bufexamac 0 95.88 MicroSource 1502003 BUFEXAMAC 223.121 CCCCOc1ccc(CC(=O)NO)cc1 MXJWRABVEGLYDG-UHFFFAOYSA-N 2466 BRD-K36660044-001-23-4 bufexamac 0 90.78 Selleck S3023 Bufexamac 223.121 CCCCOc1ccc(CC(=O)NO)cc1 MXJWRABVEGLYDG-UHFFFAOYSA-N 2466 BRD-K19462402-003-25-9 buflomedil 0 93.45 MedChemEx HY-B0484 Buflomedil (hydrochloride) 307.178 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 OWYLAEYXIQKAOL-UHFFFAOYSA-N 2467 BRD-K19462402-003-24-6 buflomedil 0 98.69 MicroSource 1505992 BUFLOMEDIL HYDROCHLORIDE 307.178 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 OWYLAEYXIQKAOL-UHFFFAOYSA-N 2467 BRD-K19462402-003-23-8 buflomedil 0 94.83 Selleck S2607 Buflomedil HCl 307.178 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 OWYLAEYXIQKAOL-UHFFFAOYSA-N 2467 BRD-K38197229-001-31-5 bumetanide 0 95.93 Tocris 3108 Bumetanide 364.109 CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O MAEIEVLCKWDQJH-UHFFFAOYSA-N 2471 BRD-K38197229-001-29-9 bumetanide 0 99.54 MicroSource 1502004 BUMETANIDE 364.109 CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O MAEIEVLCKWDQJH-UHFFFAOYSA-N 2471 BRD-K38197229-001-32-9 bumetanide 0 97.58 Tocris 3108 Bumetanide 364.109 CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O MAEIEVLCKWDQJH-UHFFFAOYSA-N 2471 BRD-K38197229-001-28-1 bumetanide 0 98.01 Selleck S1287 Bumetanide 364.109 CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O MAEIEVLCKWDQJH-UHFFFAOYSA-N 2471 BRD-K35034482-001-01-8 bunazosin 0 97.77 Enamine Z1172912933 373.211 CCCC(=O)N1CCCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 RHLJLALHBZGAFM-UHFFFAOYSA-N 2472 BRD-K35034482-003-02-9 bunazosin 0 96.76 Toronto b689585 bunazosin hydrochloride 373.211 CCCC(=O)N1CCCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 RHLJLALHBZGAFM-UHFFFAOYSA-N 2472 BRD-K42191735-001-08-7 buparlisib 0 98.65 Selleck S2247 BKM120 (NVP-BKM120) 410.168 Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F CWHUFRVAEUJCEF-UHFFFAOYSA-N 16654980 BRD-K42191735-001-05-3 buparlisib 0 87.93 Selleck S2247 "BKM120 (NVP-BKM120, Buparlisib)" 410.168 Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F CWHUFRVAEUJCEF-UHFFFAOYSA-N 16654980 BRD-A07947329-001-02-9 buparvaquone 0 52.68 MedChemEx HY-17581 Buparvaquone 326.188 "CC(C)(C)C1CCC(C[C@H]2C(=O)C(=O)c3ccccc3C2=O)CC1 |&1:9,r|" OMMKCJLAGTXGLC-MQBCKMQZSA-N BRD-A07947329-001-01-4 buparvaquone 0 96.77 MedChemEx HY-17581 Buparvaquone 326.188 "CC(C)(C)C1CCC(C[C@H]2C(=O)C(=O)c3ccccc3C2=O)CC1 |&1:9,r|" OMMKCJLAGTXGLC-MQBCKMQZSA-N BRD-A36267905-003-19-2 buphenine 0 89.35 MedChemEx HY-B1404 Nylidrin (hydrochloride) 299.189 CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 PTGXAUBQBSGPKF-UHFFFAOYSA-N 657392 BRD-A36267905-003-18-4 buphenine 0 77.3 MicroSource 1500445 NYLIDRIN HYDROCHLORIDE 299.189 CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 PTGXAUBQBSGPKF-UHFFFAOYSA-N 657392 BRD-K51700582-001-01-2 bupicomide 0 95.4 Enamine Z2408581540 5-butyl-2-pyridinecarboxamide 178.111 CCCCc1ccc(nc1)C(N)=O VKSPIPWLHGKJQO-UHFFFAOYSA-N 31447 BRD-K00003636-001-01-9 bupivacaine 0 98.85 MedChemEx HY-B0405 Bupivacaine 288.22 "CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C |&1:9,r|" LEBVLXFERQHONN-INIZCTEOSA-N 92253 BRD-A48420483-001-02-3 bupranolol 0 96.59 Enamine Z1650184751 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)-2-propanol 271.134 "Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1 |&1:9,r|" HQIRNZOQPUAHHV-NSHDSACASA-N 66601885 BRD-A48420483-001-03-9 bupranolol 0 91.73 Enamine EN300-134241 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol 271.134 "Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1 |&1:9,r|" HQIRNZOQPUAHHV-NSHDSACASA-N 66601885 BRD-A48420483-001-01-5 bupranolol 0 21.07 Enamine Z1497043450 271.134 "Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1 |&1:9,r|" HQIRNZOQPUAHHV-NSHDSACASA-N 66601885 BRD-A48420483-001-04-9 bupranolol 0 93.36 Toronto b689650 bupranolol 271.134 "Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1 |&1:9,r|" HQIRNZOQPUAHHV-NSHDSACASA-N 66601885 BRD-K01826729-003-06-9 bupropion 0 94.45 Tocris 2831 Bupropion hydrochloride 239.108 "C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 |&1:1,r|" SNPPWIUOZRMYNY-SECBINFHSA-N 688387 BRD-K30360804-001-01-3 buramate 0 65.99 MicroSource 1505415 BURAMATE 195.09 OCCOC(=O)NCc1ccccc1 YFLRYAVDPKONNX-UHFFFAOYSA-N 20787 BRD-K30360804-001-02-9 buramate 0 89.56 Enamine EN300-203841 2-hydroxyethyl N-benzylcarbamate 195.09 OCCOC(=O)NCc1ccccc1 YFLRYAVDPKONNX-UHFFFAOYSA-N 20787 BRD-K00003161-015-01-9 buserelin 0 98.16 MedChemEx HY-13581A Buserelin (Acetate) 1238.656 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 CUWODFFVMXJOKD-UVLQAERKSA-N 50225 BRD-K93461745-003-25-0 buspirone 0 99.45 MicroSource 2300173 BUSPIRONE HYDROCHLORIDE 385.248 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 QWCRAEMEVRGPNT-UHFFFAOYSA-N 2477 BRD-K93461745-003-23-5 buspirone 0 96.3 Selleck S4256 Buspirone HCl 385.248 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 QWCRAEMEVRGPNT-UHFFFAOYSA-N 2477 BRD-K93461745-003-26-9 buspirone 0 91.97 Tocris 962 Buspirone hydrochloride 385.248 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 QWCRAEMEVRGPNT-UHFFFAOYSA-N 2477 BRD-K93461745-003-24-3 buspirone 0 98.88 Tocris 962 Buspirone hydrochloride 385.248 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 QWCRAEMEVRGPNT-UHFFFAOYSA-N 2477 BRD-K23204545-001-16-4 busulfan 0 89.78 MicroSource 1500152 BUSULFAN 246.023 CS(=O)(=O)OCCCCOS(C)(=O)=O COVZYZSDYWQREU-UHFFFAOYSA-N 2478 BRD-K23204545-001-15-6 busulfan 0 0 Selleck S1692 Busulfan 246.023 CS(=O)(=O)OCCCCOS(C)(=O)=O COVZYZSDYWQREU-UHFFFAOYSA-N 2478 BRD-K23204545-001-18-0 busulfan 0 79.96 Selleck S1692 "Busulfan (Myleran, Busulfex)" 246.023 CS(=O)(=O)OCCCCOS(C)(=O)=O COVZYZSDYWQREU-UHFFFAOYSA-N 2478 BRD-K40581315-034-01-5 butabindide 0 0.47 Tocris 1323 Butabindide oxalate 303.195 CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC HAQIRIMIVLFYIX-ZFWWWQNUSA-N 9817923 BRD-K40581315-034-02-9 butabindide 0 90.73 Tocris 1323 Butabindide oxalate 303.195 CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC HAQIRIMIVLFYIX-ZFWWWQNUSA-N 9817923 BRD-K99622919-001-23-0 butacaine 0 95.48 MicroSource 1503914 BUTACAINE 306.231 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 HQFWVSGBVLEQGA-UHFFFAOYSA-N 2480 BRD-K99622919-001-22-2 butacaine 0 91.73 Selleck S4310 Butacaine 306.231 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 HQFWVSGBVLEQGA-UHFFFAOYSA-N 2480 BRD-K99622919-001-24-8 butacaine 0 0 Selleck S4310 Butacaine 306.231 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 HQFWVSGBVLEQGA-UHFFFAOYSA-N 2480 BRD-K20620780-003-15-6 butaclamol 0 97.77 Sigma D033-5MG (+)-Butaclamol hydrochloride 361.241 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 ZZJYIKPMDIWRSN-HWBMXIPRSA-N 37459 BRD-K71350836-001-02-4 butalbital 0 98.11 Prestwick Prestw-1251 Butalbital 224.116 CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O UZVHFVZFNXBMQJ-UHFFFAOYSA-N 2481 BRD-K27217864-001-23-9 butamben 0 98.53 MedChemEx HY-B1430 Butamben 193.11 CCCCOC(=O)c1ccc(N)cc1 IUWVALYLNVXWKX-UHFFFAOYSA-N 2482 BRD-K27217864-001-22-3 butamben 0 99.12 MicroSource 1500767 BUTAMBEN 193.11 CCCCOC(=O)c1ccc(N)cc1 IUWVALYLNVXWKX-UHFFFAOYSA-N 2482 BRD-K00004715-001-01-9 butaprost 0 100 Sigma B6309 (R)-Butaprost 408.288 CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC XRISENIKJUKIHD-LHQZMKCDSA-N 5311035 BRD-K17497770-001-03-6 butein 0 88.13 Selleck S8036 Butein 272.068 Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1 AYMYWHCQALZEGT-ORCRQEGFSA-N 5281222 BRD-K17497770-001-04-4 butein 0 92.44 Selleck S8036 Butein 272.068 Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1 AYMYWHCQALZEGT-ORCRQEGFSA-N 5281222 BRD-K90630139-003-05-9 butenafine 0 98.38 Selleck S3154 Butenafine HCl 317.214 CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12 ABJKWBDEJIDSJZ-UHFFFAOYSA-N 2484 BRD-K90630139-003-06-9 butenafine 0 99.5 MedChemEx HY-17396 Butenafine (Hydrochloride) 317.214 CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12 ABJKWBDEJIDSJZ-UHFFFAOYSA-N 2484 BRD-A47706533-001-02-6 buthionine-sulfoximine 0 94.36 Enzo FR117 Buthionine sulfoximine 222.104 "CCCCS(=N)(=O)CC[C@H](N)C(O)=O |a:9,&1:4|" KJQFBVYMGADDTQ-CVSPRKDYSA-N 1548918 BRD-A46136514-001-01-2 butibufen 0 95.48 Carbosynth FB19394 2-(4-isobutylphenyl)butanoic acid 220.146 "CC[C@@H](C(O)=O)c1ccc(CC(C)C)cc1 |&1:2,r|" UULSXYSSHHRCQK-CYBMUJFWSA-N 71314316 BRD-A46136514-236-02-9 butibufen 0 91.19 Toronto b689960 butibufen 220.146 "CC[C@@H](C(O)=O)c1ccc(CC(C)C)cc1 |&1:2,r|" UULSXYSSHHRCQK-CYBMUJFWSA-N 71314316 BRD-K01824994-008-03-9 butoconazole 0 98.18 MedChemEx HY-B0293 Butoconazole (nitrate) 410.018 "Clc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 |&1:7,r|" SWLMUYACZKCSHZ-INIZCTEOSA-N 476417 BRD-K01824994-001-02-9 butoconazole 0 99.34 MicroSource 1504140 BUTOCONAZOLE 410.018 "Clc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 |&1:7,r|" SWLMUYACZKCSHZ-INIZCTEOSA-N 476417 BRD-A27274504-001-01-6 butofilolol 0 96.62 Sigma MFCD00864575 1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}-1-butanone 311.19 "CCCC(=O)c1cc(F)ccc1OC[C@@H](O)CNC(C)(C)C |&1:14,r|" NMBNQRJDEPOXCP-ZDUSSCGKSA-N 66593644 BRD-K08287586-001-14-3 butyl-paraben 0 98.43 MicroSource 1505995 BUTYL PARABEN 194.094 CCCCOC(=O)c1ccc(O)cc1 QFOHBWFCKVYLES-UHFFFAOYSA-N 7184 BRD-K93035859-001-07-6 butylated-hydroxyanisole 0 88.92 MicroSource 1503740 BUTYLATED HYDROXYANISOLE 180.115 COc1ccc(O)c(c1)C(C)(C)C MRBKEAMVRSLQPH-UHFFFAOYSA-N 8456 BRD-K93035859-001-08-9 butylated-hydroxyanisole 0 49.61 Sigma MFCD00040484 "Butylated hydroxyanisole , 98 %" 180.115 COc1ccc(O)c(c1)C(C)(C)C MRBKEAMVRSLQPH-UHFFFAOYSA-N 8456 BRD-K53153417-001-10-4 butylated-hydroxytoluene 0 97.99 MicroSource 1600716 BUTYLATED HYDROXYTOLUENE 220.183 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C NLZUEZXRPGMBCV-UHFFFAOYSA-N 31404 BRD-K53153417-001-13-9 butylated-hydroxytoluene 0 96.82 MedChemEx HY-Y0172 "2,6-Di-tert-butyl-4-methylphenol" 220.183 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C NLZUEZXRPGMBCV-UHFFFAOYSA-N 31404 BRD-K02260986-001-03-9 butylidenephthalide 0 0 Sigma MFCD00047319 N-BUTYLIDENEPHTHALIDE 188.084 CCC\C=C1/OC(=O)c2ccccc12 WMBOCUXXNSOQHM-FLIBITNWSA-N 642376 BRD-A59378440-001-01-3 butylphthalide 0 94.43 MedChemEx HY-B0647 Butylphthalide 190.099 "CCCC[C@H]1OC(=O)c2ccccc12 |&1:4,r|" HJXMNVQARNZTEE-LLVKDONJSA-N 9990075 BRD-K01825841-004-02-9 butylscopolamine-bromide 0 97.31 MedChemEx HY-N0340 Scopolamine butylbromide 360.217 "CCCC[N@@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |a:6,8,10,11,13,17,&1:4,TLB:3:4:7.8.9:11.13,12:11:4:7.8.9,12:13:4:7.8.9,THB:5:4:7.8.9:11.13,14:8:4:11.13|" YBCNXCRZPWQOBR-FRNBUXIHSA-N BRD-K28965160-001-01-1 BVD-523 0 99.21 MedChemEx HY-15816 VRT752271 432.112 CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 KSERXGMCDHOLSS-LJQANCHMSA-N 11719003 BRD-K28965160-001-02-9 BVD-523 0 97.46 MedChemEx HY-15816 Ulixertinib 432.112 CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 KSERXGMCDHOLSS-LJQANCHMSA-N 11719003 BRD-K01742705-001-01-7 BVT-2733 0 96.59 MedChemEx HY-18054 BVT 2733 428.074 CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 YDPRNGAPPNPYQQ-UHFFFAOYSA-N 6918651 BRD-K68567222-001-01-2 BVT-948 0 90.36 Tocris 2176 BVT 948 241.074 CC1(C)C(=O)NC2=C1C(=O)C(=O)c1ccccc21 |c:6| LLPBUXODFQZPFH-UHFFFAOYSA-N 6604934 BRD-A22713669-001-02-7 BRD-K00003548-001-01-9 BW-180C 0 89.9 MedChemEx HY-105343 BW-180C 569.285 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O ZHUJMSMQIPIPTF-IBURTVSXSA-N 6917707 BRD-K00004593-001-01-9 BW-348U87 0 82.15 Key MS-0738 N-(2-chlorophenyl)-2-({(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazino}carbothioyl)hydrazinecarbothioamide 378.049 C\C(=N/NC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1 YYLKOELWSMRYHV-VXLYETTFSA-N 9554761 BRD-K74990253-001-03-9 BW-373U86 0 97.24 Tocris 1663 BW 373U86 435.289 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 LBLDMHBSVIVJPM-YZIHRLCOSA-N 119029 BRD-K74990253-001-02-8 BW-373U86 0 96.77 Tocris 1663 BW 373U86 435.289 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 LBLDMHBSVIVJPM-YZIHRLCOSA-N 119029 BRD-K07061232-001-01-8 BW-616U 0 97.3 Enamine Z30272279 "N-methyl-10-oxo-10H-dibenzo[b,e]thiopyran-3-carboxamide 5,5-dioxide" 301.041 CNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 MLPSDBJCWIYSEA-UHFFFAOYSA-N 11722381 BRD-K01826747-003-10-9 BW-723C86 0 62.79 Tocris 1059 BW 723C86 hydrochloride 322.091 C[C@@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 |&1:1| ALFGDCNSEBJYSP-LLVKDONJSA-N 40418385 BRD-K01826747-003-11-9 BW-723C86 0 90.04 Tocris 1059 BW 723C86 hydrochloride 286.114 C[C@@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 |&1:1| ALFGDCNSEBJYSP-LLVKDONJSA-N 40418385 BRD-K01826747-003-09-9 BW-723C86 0 88.95 Tocris 1059 BW 723C86 hydrochloride 322.091 C[C@@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 |&1:1| ALFGDCNSEBJYSP-LLVKDONJSA-N 40418385 BRD-K80194255-001-01-9 BW-A4C 0 87.05 Sigma B7559 N-hydroxy-N-[(2E)-3-(3-phenoxyphenyl)-2-propenyl]acetamide 283.121 CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 CEUDWZXMLMKPNN-SOFGYWHQSA-N 6438354 BRD-A55946879-001-04-9 BW-B70C 0 86.91 Sigma B4558 BW B70C 316.122 "C[C@@H](\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O |&1:1,r|" UAIYNMRLUHHRMF-FYJFLYSWSA-N 88473969 BRD-A55946879-001-03-7 BW-B70C 0 51.53 Tocris 1304 BW-B 70C 316.122 "C[C@@H](\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O |&1:1,r|" UAIYNMRLUHHRMF-FYJFLYSWSA-N 88473969 BRD-K47983010-001-15-3 BX-795 0 94.52 MedChemEx HY-10514 BX795 591.091 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 VAVXGGRQQJZYBL-UHFFFAOYSA-N 10077147 BRD-K47983010-001-09-6 BX-795 0 56.03 Selleck S1274 BX-795 591.091 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 VAVXGGRQQJZYBL-UHFFFAOYSA-N 10077147 BRD-K47983010-001-12-0 BX-795 0 82.2 Selleck S1274 BX-795 591.091 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 VAVXGGRQQJZYBL-UHFFFAOYSA-N 10077147 BRD-K47983010-001-14-6 BX-795 0 73.82 MedChemEx HY-10514 BX795 591.091 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 VAVXGGRQQJZYBL-UHFFFAOYSA-N 10077147 BRD-K49669041-001-08-4 BX-912 0 95.26 Selleck S1275 BX-912 470.118 Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1 DMMILYKXNCVKOJ-UHFFFAOYSA-N 11754511 BRD-K61665160-001-02-3 BYK-204165 0 94.52 Tocris 3734 BYK 204165 252.09 Cn1cccc1\C=C1/C(=O)NC(=O)c2ccccc12 BTYSIDSTHDDAJW-LCYFTJDESA-N 25113764 BRD-K61665160-001-01-5 BYK-204165 0 98.46 Tocris 3734 BYK 204165 252.09 Cn1cccc1\C=C1/C(=O)NC(=O)c2ccccc12 BTYSIDSTHDDAJW-LCYFTJDESA-N 25113764 BRD-K61665160-001-03-9 BYK-204165 0 95.41 Tocris 3734 BYK 204165 252.09 Cn1cccc1\C=C1/C(=O)NC(=O)c2ccccc12 BTYSIDSTHDDAJW-LCYFTJDESA-N 25113764 BRD-K98179423-300-01-3 C-021 0 97.39 Tocris 3581 C 021 dihydrochloride 467.326 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 WYVBISCFCHREDA-UHFFFAOYSA-N 25141190 BRD-K98179423-300-02-9 C-021 0 97.25 Tocris 3581 C 021 dihydrochloride 467.326 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 WYVBISCFCHREDA-UHFFFAOYSA-N 25141190 BRD-K72462751-001-03-5 C-1 0 98.34 Tocris 543 C-1 277.088 O=S(=O)(N1CCNCC1)c1cccc2cnccc12 UPTYCYWTFGTCCG-UHFFFAOYSA-N 3545 BRD-K72462751-001-02-7 C-1 0 97.52 Tocris 543 C-1 277.088 O=S(=O)(N1CCNCC1)c1cccc2cnccc12 UPTYCYWTFGTCCG-UHFFFAOYSA-N 3545 BRD-K15337272-001-01-3 C-751 0 98.92 Key PS-5461 140.059 CCOC(=O)c1cnc[nH]1 KLWYPRNPRNPORS-UHFFFAOYSA-N 99170 BRD-M12328004-001-01-8 C106 0 0 Enzo C106 (+)-Nicotine di-p-toluoyl-D-tartrate 548.216 "CN1CCC[C@@H]1c1cccnc1.Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](OC(=O)c1ccc(C)cc1)C(O)=O)C(O)=O |&1:5,&2:22,&3:23,r|" GEGPCGHEPLKDLY-DRHSTVBOSA-N 11957647 BRD-K83914624-415-01-3 C11-Acetate 1 0 SantaCruz sc-258338 Yttrium Acetate Tetrahydrate 88.906 [Y+3] GRTBAGCGDOYUBE-UHFFFAOYSA-N 168049 BRD-K00003114-001-01-9 C188-9 0 91.21 MedChemEx HY-112288 C188-9 471.114 COc1ccc(cc1)S(=O)(=O)Nc1cc(c(O)c2ccccc12)-c1c(O)ccc2ccccc12 QDCJDYWGYVPBDO-UHFFFAOYSA-N 1324494 BRD-K43167535-001-01-3 C34 0 100 Tocris 5373 C34 389.169 CC(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O KMIQMFHPUJUDMC-HHARLNAUSA-N 91691128 BRD-K43167535-001-02-9 C34 0 95.6 Tocris 5373 C34 389.169 CC(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O KMIQMFHPUJUDMC-HHARLNAUSA-N 91691128 BRD-K73383190-001-03-1 C646 0 88.09 Selleck S7152 C646 445.127 CC1=NN(C(=O)C1=Cc1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1| HEKJYZZSCQBJGB-UHFFFAOYSA-N 2871948 BRD-K68548958-001-04-6 BRD-K73383190-001-04-9 C646 0 14.83 Tocris 4200 C 646 445.127 CC1=NN(C(=O)C1=Cc1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1| HEKJYZZSCQBJGB-UHFFFAOYSA-N 2871948 BRD-K73383190-001-02-3 C646 0 88.71 Selleck S7152 C646 445.127 CC1=NN(C(=O)C1=Cc1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1| HEKJYZZSCQBJGB-UHFFFAOYSA-N 2871948 BRD-K19202888-001-01-1 BRD-K00003511-001-01-9 CA-4948 0 95.81 MedChemEx HY-109585 CA-4948 417.155 Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cnc2nc(oc2c1)N1CCOCC1 RWIMETUXCNDSLE-UHFFFAOYSA-N 118224238 BRD-K41504985-005-01-5 cabagin 1 0 AlfaAesar B21342 164.075 C[S+](C)CC[C@H](N)C(O)=O YDBYJHTYSHBBAU-YFKPBYRVSA-O 7098638 BRD-K41504985-003-02-9 cabagin 1 100 Toronto M260470 L-methionine-S-methyl sulfonium chloride 164.075 C[S+](C)CC[C@H](N)C(O)=O YDBYJHTYSHBBAU-YFKPBYRVSA-O 7098638 BRD-K54028654-001-02-6 cabaletta 0 97.42 Enzo AC1507 Trehalose 342.116 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O HDTRYLNUVZCQOY-LIZSDCNHSA-N 7427 BRD-K10384176-001-02-9 cabazitaxel 0 95.83 MedChemEx HY-15459 Cabazitaxel 835.378 CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C |t:51| BMQGVNUXMIRLCK-OAGWZNDDSA-N 9854073 BRD-K86882815-001-05-7 cabergoline 0 92.03 Tocris 2664 Cabergoline 451.295 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 KORNTPPJEAJQIU-KJXAQDMKSA-N 54746 BRD-K34586087-001-01-7 BRD-K86882815-001-03-2 cabergoline 0 94.48 Enzo DL219 Cabergoline 451.295 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 KORNTPPJEAJQIU-KJXAQDMKSA-N 54746 BRD-K86882815-001-06-9 cabergoline 0 0 Tocris 2664 Cabergoline 451.295 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 KORNTPPJEAJQIU-KJXAQDMKSA-N 54746 BRD-K76819217-001-02-2 cabotegravir 0 97.41 MedChemEx HY-15592 "(3S,11aR)-N-(2,4-difluorobenzyl)-3-methyl-5,6,7-trioxo-2,3,5,5a,6,7,11,11a-octahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide" 405.114 C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 WCWSTNLSLKSJPK-LKFCYVNXSA-N 54713659 BRD-A95114378-001-01-4 BRD-K76819217-001-01-4 cabotegravir 0 96.55 Selleck S7766 "Cabotegravir (GSK744, GSK1265744)" 405.114 C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 WCWSTNLSLKSJPK-LKFCYVNXSA-N 54713659 BRD-A07738941-001-01-5 BRD-K51544265-001-06-7 cabozantinib 0 99.07 Tocris 5422 XL 184 501.17 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC ONIQOQHATWINJY-UHFFFAOYSA-N 25102847 BRD-K51544265-001-04-2 cabozantinib 0 98.92 Selleck S1119 "Cabozantinib (XL184, BMS-907351)" 501.17 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC ONIQOQHATWINJY-UHFFFAOYSA-N 25102847 BRD-K51544265-001-03-4 cabozantinib 0 Selleck S1119 XL-184 free base (Cabozantinib) 501.17 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC "InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)" 25102847 BRD-A90751343-001-02-9 CaCCinh-A01 0 95.53 Tocris 4877 CaCCinh-A01 347.119 "CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)c1ccco1)c2C(O)=O |&1:4,r|" ACLUEOBQFRYTQS-JTQLQIEISA-N 747218 BRD-A90751343-001-01-0 CaCCinh-A01 0 93.54 Tocris 4877 CaCCinh-A01 347.119 "CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)c1ccco1)c2C(O)=O |&1:4,r|" ACLUEOBQFRYTQS-JTQLQIEISA-N 747218 BRD-K00003370-001-01-9 cadazolid 0 91.31 MedChemEx HY-100436 Cadazolid 585.192 OC[C@H]1CN(C(=O)O1)c1ccc(OCC2(O)CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)c(F)c1 XWFCFMXQTBGXQW-GOSISDBHSA-N 44242317 BRD-A78134170-001-01-3 cadralazine 0 57.47 Key KS-1435 ethyl 2-{6-[ethyl(2-hydroxypropyl)amino]-3-pyridazinyl}hydrazinecarboxylate 283.164 "CCOC(=O)NNc1ccc(nn1)N(CC)C[C@@H](C)O |&1:17,r|" QLTVVOATEHFXLT-SECBINFHSA-N 76968745 BRD-K46741531-001-02-4 cafestol 0 95.32 Enzo NP418 Cafestol 316.204 C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 DNJVYWXIDISQRD-HWUKTEKMSA-N 108052 BRD-K46741531-001-03-9 cafestol 0 WuXi EW21509-6-P1 Cafestol 316.204 C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 DNJVYWXIDISQRD-HWUKTEKMSA-N 108052 BRD-K09900591-001-29-9 caffeic-acid 0 94.78 MedChemEx HY-N0172 Caffeic acid 180.042 OC(=O)\C=C\c1ccc(O)c(O)c1 QAIPRVGONGVQAS-DUXPYHPUSA-N 689043 BRD-K09900591-001-26-7 caffeic-acid 0 88.37 Selleck S2277 Caffeic acid 180.042 OC(=O)\C=C\c1ccc(O)c(O)c1 QAIPRVGONGVQAS-DUXPYHPUSA-N 689043 BRD-K09900591-001-25-9 caffeic-acid 0 47.94 Selleck S2277 Caffeic Acid 180.042 OC(=O)\C=C\c1ccc(O)c(O)c1 QAIPRVGONGVQAS-DUXPYHPUSA-N 689043 BRD-K96188950-001-16-9 caffeic-acid-phenethyl-ester 0 96.26 Tocris 2743 Caffeic acid phenethyl ester 284.105 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O SWUARLUWKZWEBQ-VQHVLOKHSA-N 5281787 BRD-K96188950-001-17-9 caffeic-acid-phenethyl-ester 0 97.3 Tocris 2743 Caffeic acid phenethyl ester 284.105 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O SWUARLUWKZWEBQ-VQHVLOKHSA-N 5281787 BRD-K96188950-001-15-1 caffeic-acid-phenethyl-ester 0 95.68 Selleck S7414 Caffeic Acid Phenethyl Ester 284.105 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O SWUARLUWKZWEBQ-VQHVLOKHSA-N 5281787 BRD-K02404261-001-16-7 caffeine 0 99.15 MicroSource 1500155 CAFFEINE 194.08 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 RYYVLZVUVIJVGH-UHFFFAOYSA-N 2519 BRD-K77175907-001-08-0 calcifediol 0 93.33 Adooq A11367 "(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol" 400.334 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C JWUBBDSIWDLEOM-DTOXIADCSA-N 5283731 BRD-K77175907-002-01-3 calcifediol 0 93.66 MedChemEx HY-32351A Calcifediol (monohydrate) 400.334 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C JWUBBDSIWDLEOM-DTOXIADCSA-N 5283731 BRD-K77175907-001-06-4 calcifediol 0 79.46 Selleck S1469 Calcifediol 400.334 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C JWUBBDSIWDLEOM-DTOXIADCSA-N 5283731 BRD-K77175907-001-10-6 calcifediol 0 64.7 Selleck S1469 Calcifediol 400.334 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C JWUBBDSIWDLEOM-DTOXIADCSA-N 5283731 BRD-K34907920-001-01-6 BRD-K56429665-001-09-6 calcipotriol 0 92.24 MedChemEx HY-10001 Calcipotriol 412.298 C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LWQQLNNNIPYSNX-UROSTWAQSA-N 5288783 BRD-K56429665-002-01-1 calcipotriol 0 91.77 MedChemEx HY-10001A Calcipotriol (monohydrate) 412.298 C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LWQQLNNNIPYSNX-UROSTWAQSA-N 5288783 BRD-K56429665-001-07-0 calcipotriol 0 0 Tocris 2700 Calcipotriol 412.298 C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LWQQLNNNIPYSNX-UROSTWAQSA-N 5288783 BRD-K00005332-019-01-9 calcitonin 0 93.78 MedChemEx HY-P1463A "Calcitonin, eel (TFA)" 3412.723 [H]N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r| JDJALSWDQPEHEJ-XXZWWZJQSA-N BRD-K27316855-001-15-8 calcitriol 0 96.4 Selleck S1466 Calcitriol 416.329 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C GMRQFYUYWCNGIN-NKMMMXOESA-N 5280453 BRD-K27316855-001-13-3 calcitriol 0 94.12 Selleck S1466 Calcitriol (Rocaltrol) 416.329 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C GMRQFYUYWCNGIN-NKMMMXOESA-N 5280453 BRD-K27316855-001-19-0 calcitriol 0 85.96 Selleck S1466 Calcitriol 416.329 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C GMRQFYUYWCNGIN-NKMMMXOESA-N 5280453 BRD-K28731095-001-01-7 BRD-K35952844-238-02-0 calcium-gluceptate 0 100 MicroSource 1300012 CALCIUM GLUCEPTATE 226.069 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O KWMLJOLKUYYJFJ-VFUOTHLCSA-N 25588 BRD-M41172429-238-02-8 BRD-K35952844-236-01-6 calcium-gluceptate 0 100 TCI G0214 226.069 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O KWMLJOLKUYYJFJ-VFUOTHLCSA-N 25588 BRD-K35952844-238-01-2 calcium-gluceptate 0 100 Selleck S4311 Calcium Gluceptate 226.069 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O KWMLJOLKUYYJFJ-VFUOTHLCSA-N 25588 BRD-K74392481-001-01-3 BRD-K97009491-238-05-9 calcium-levofolinate 0 85.78 MedChemEx HY-13667 Levoleucovorin calcium 473.166 Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K97009491-238-03-8 calcium-levofolinate 0 100 Selleck S2588 Calcium levofolinate (Calcium Folinate) 473.166 Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K97009491-238-02-0 calcium-levofolinate 0 69.58 Selleck S2588 Calcium levofolinate (Calcium Folinate) 473.166 Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K97009491-238-04-6 calcium-levofolinate 0 0 Selleck S2588 Calcium levofolinate (Calcium Folinate) 473.166 Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K19811997-003-02-9 Calhex-231 0 97.1 Tocris 4387 Calhex 231 hydrochloride 406.181 C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 YTFUQWWKTIWYEY-CQLNOVPUSA-N 11849514 BRD-K19811997-003-01-3 Calhex-231 0 93.49 Tocris 4387 Calhex 231 hydrochloride 406.181 C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 YTFUQWWKTIWYEY-CQLNOVPUSA-N 11849514 BRD-K26134695-001-04-4 calpeptin 0 79.34 Tocris 448 Calpeptin 362.221 CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O PGGUOGKHUUUWAF-ROUUACIJSA-N 73364 BRD-K26134695-001-05-9 calpeptin 0 73.69 Tocris 448 Calpeptin 362.221 CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O PGGUOGKHUUUWAF-ROUUACIJSA-N 73364 BRD-K26134695-001-03-6 calpeptin 0 53.93 Tocris 448 Calpeptin 362.221 CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O PGGUOGKHUUUWAF-ROUUACIJSA-N 73364 BRD-K23248433-001-02-9 camicinal 0 84.77 MedChemEx HY-10922 Camicinal 424.264 C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 RZKDEGZIFSJVNA-IBGZPJMESA-N 15984937 BRD-K23248433-001-01-8 camicinal 0 85.54 MedChemEx HY-10922 GSK962040 424.264 C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 RZKDEGZIFSJVNA-IBGZPJMESA-N 15984937 BRD-K35772771-001-02-1 CaMKII-IN-1 0 96.28 MedChemEx HY-18271 CaMKII-IN-1 547.181 Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 LGUUETDTMQTHML-UHFFFAOYSA-N 50898538 BRD-K35772771-001-01-3 CaMKII-IN-1 0 94.53 MedChemEx HY-18271 CaMKII-IN-1 547.181 Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 LGUUETDTMQTHML-UHFFFAOYSA-N 50898538 BRD-K00004732-001-01-9 camobucol 0 99.03 MedChemEx HY-14916 Camobucol 574.315 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(OCC(O)=O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C FGBGXESDYFKUFX-UHFFFAOYSA-N 9875498 BRD-K43806473-066-03-9 camostat-mesilate 0 95.28 Tocris 3193 Camostat mesylate 398.159 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 XASIMHXSUQUHLV-UHFFFAOYSA-N 2536 BRD-K43806473-066-04-9 camostat-mesilate 0 96.48 Tocris 3193 Camostat mesylate 398.159 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 XASIMHXSUQUHLV-UHFFFAOYSA-N 2536 BRD-K43806473-066-02-1 camostat-mesilate 0 96.31 Selleck S2874 Camostat Mesilate 398.159 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 XASIMHXSUQUHLV-UHFFFAOYSA-N 2536 BRD-K10034334-001-08-9 camphor-(+) 0 0 MedChemEx HY-B1173 (+)-Camphor 152.12 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 DSSYKIVIOFKYAU-XCBNKYQSSA-N 159055 BRD-K10034334-001-03-3 camphor-(+) 0 0 MedChemEx HY-B1173 (+)-Camphor 152.12 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 DSSYKIVIOFKYAU-XCBNKYQSSA-N 159055 BRD-K15714472-001-04-5 camphor-(1R) 0 0 MicroSource 1500156 CAMPHOR 152.12 CC1(C)[C@@H]2CC[C@]1(C)C(=O)C2 DSSYKIVIOFKYAU-GMSGAONNSA-N 5284500 BRD-K37890730-001-17-7 camptothecin 0 90.8 Selleck S1288 Camptothecin 348.111 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O VSJKWCGYPAHWDS-FQEVSTJZSA-N 24360 BRD-K37890730-001-15-1 camptothecin 0 89.88 Selleck S1288 Camptothecin 348.111 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O VSJKWCGYPAHWDS-FQEVSTJZSA-N 24360 BRD-K37890730-001-16-9 camptothecin 0 85.88 Tocris 1100 Camptothecin 348.111 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O VSJKWCGYPAHWDS-FQEVSTJZSA-N 24360 BRD-A91733352-300-03-7 camylofine-chlorhydrate 0 88.59 Selleck S4391 Camylofin Chlorhydrate 320.246 CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1 |&1:8| RYOOHIUJEJZCFT-GOSISDBHSA-N 51590030 BRD-A91733352-300-04-5 camylofine-chlorhydrate 0 96.03 MicroSource 1505785 CAMYLOFINE DIHYDROCHLORIDE 320.246 CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1 |&1:8| RYOOHIUJEJZCFT-GOSISDBHSA-N 51590030 BRD-A91733352-300-05-2 camylofine-chlorhydrate 0 95.09 Selleck S4391 camylofine chlorhydrate 320.246 CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1 |&1:8| RYOOHIUJEJZCFT-GOSISDBHSA-N 51590030 BRD-K90868879-001-04-9 canagliflozin 0 98.45 MedChemEx HY-10451 Canagliflozin 444.141 Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O XTNGUQKDFGDXSJ-ZXGKGEBGSA-N 24812758 BRD-K90868879-001-03-8 canagliflozin 0 98.9 MicroSource 1506315 CANAGLIFLOZIN 444.141 Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O XTNGUQKDFGDXSJ-ZXGKGEBGSA-N 24812758 BRD-K90868879-001-02-0 canagliflozin 0 97.67 Selleck S2760 Canagliflozin 444.141 Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O XTNGUQKDFGDXSJ-ZXGKGEBGSA-N 24812758 BRD-K84091759-001-11-9 candesartan 0 93.78 Tocris 4791 Candesartan 440.16 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 HTQMVQVXFRQIKW-UHFFFAOYSA-N 2541 BRD-K84091759-001-10-5 candesartan 0 90.89 Tocris 4791 Candesartan 440.16 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 HTQMVQVXFRQIKW-UHFFFAOYSA-N 2541 BRD-K84091759-001-08-9 candesartan 0 63.22 MicroSource 1502288 CANDESARTAN 440.16 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 HTQMVQVXFRQIKW-UHFFFAOYSA-N 2541 BRD-K84091759-001-07-1 candesartan 0 98.75 Selleck S1578 Candesartan 440.16 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 HTQMVQVXFRQIKW-UHFFFAOYSA-N 2541 BRD-A65671304-001-08-3 candesartan-cilexetil 0 65.5 MicroSource 1504261 CANDESARTAN CILEXTIL 610.254 "CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |&1:13,r|" GHOSNRCGJFBJIB-OAQYLSRUSA-N 51399532 BRD-A65671304-001-07-5 candesartan-cilexetil 0 98.51 Selleck S2037 Candesartan Cilexetil 610.254 "CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |&1:13,r|" GHOSNRCGJFBJIB-OAQYLSRUSA-N 51399532 BRD-A65671304-001-09-9 candesartan-cilexetil 0 98.63 MedChemEx HY-17505 Candesartan (Cilexetil) 610.254 "CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |&1:13,r|" GHOSNRCGJFBJIB-OAQYLSRUSA-N 51399532 BRD-A37348498-015-01-4 candicidin 0 0 MicroSource 1503867 CANDICIDIN 1108.572 "C[C@@H](C[C@@H](C)[C@H]1OC(=O)CC(=O)CCCC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)C[C@@H](O)[C@@H]([C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2N)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H]1C)C(O)=O)[C@@H](O)CC(=O)c1ccc(N)cc1 |a:38,40,42,44,46,&1:1,&2:3,&3:5,&4:18,&5:21,&6:24,&7:30,&8:32,&9:33,&10:36,&11:62,&12:67,t:49,51,53,55,57,59,61|" HYIZCDMXFDRDFE-RGXQRFNASA-N BRD-K50168500-001-07-9 canertinib 0 95.13 Selleck S1019 Canertinib (CI-1033) 485.163 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl OMZCMEYTWSXEPZ-UHFFFAOYSA-N 156414 BRD-K50168500-001-01-2 canertinib 0 Selleck S1019 CI-1033(Canertinib) 485.163 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl "InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)" 156414 BRD-K00004669-001-01-9 cangrelor 0 94.41 Adooq A12843 AR-C 69931 774.948 CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O PAEBIVWUMLRPSK-IDTAVKCVSA-N 9854012 BRD-K81644801-001-08-9 canrenone 0 100 Tocris 3281 Canrenone 340.204 "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1 |c:6,t:8|" UJVLDDZCTMKXJK-WNHSNXHDSA-N 13789 BRD-K80684056-001-09-3 cantharidin 0 0 MedChemEx HY-N0209 Cantharidin 196.074 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O DHZBEENLJMYSHQ-XCVPVQRUSA-N 5944 BRD-K80684056-001-06-9 cantharidin 0 0 MedChemEx HY-N0209 Cantharidin 196.074 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O DHZBEENLJMYSHQ-XCVPVQRUSA-N 5944 BRD-K80684056-001-05-1 cantharidin 0 47.3 Sigma MFCD00134968 "(3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione" 196.074 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O DHZBEENLJMYSHQ-XCVPVQRUSA-N 5944 BRD-K80684056-001-04-4 cantharidin 0 0 Tocris 1548 Cantharidin 196.074 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O DHZBEENLJMYSHQ-XCVPVQRUSA-N 5944 BRD-K97025174-001-01-4 capadenoson 0 99.55 MedChemEx HY-14917 Capadenoson 519.059 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N CITWCLNVRIKQAF-UHFFFAOYSA-N 9936489 BRD-K97025174-001-02-9 capadenoson 0 96.73 MedChemEx HY-14917 Capadenoson 519.059 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N CITWCLNVRIKQAF-UHFFFAOYSA-N 9936489 BRD-K61192372-001-06-3 capecitabine 0 85.2 Tocris 4799 Capecitabine 359.149 CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O GAGWJHPBXLXJQN-UORFTKCHSA-N 60953 BRD-K61192372-001-08-9 capecitabine 0 97.09 MicroSource 1502271 CAPECITABINE 359.149 CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O GAGWJHPBXLXJQN-UORFTKCHSA-N 60953 BRD-A91877226-001-01-4 BRD-K61192372-001-05-5 capecitabine 0 97.88 Selleck S1156 Capecitabine (Xeloda) 359.149 CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O GAGWJHPBXLXJQN-UORFTKCHSA-N 60953 BRD-K61192372-001-07-1 capecitabine 0 87.84 Selleck S1156 Capecitabine 359.149 CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O GAGWJHPBXLXJQN-UORFTKCHSA-N 60953 BRD-K15574380-001-01-0 BRD-K04282412-001-16-3 capobenic-acid 0 52.98 MicroSource 1505417 CAPOBENIC ACID 325.153 COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(O)=O MPTXLVRHYGBOQY-UHFFFAOYSA-N 30627 BRD-K00005140-065-02-9 capreomycin 0 0 MedChemEx HY-17566 Capreomycin (sulfate) 652.352 C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O)=C/NC(N)=O)[C@H]1CCN=C(N)N1 |t:43| FRXNXDHFQYZYNA-GJTMSUEESA-N BRD-K00003188-046-01-9 capromorelin 0 89.29 MedChemEx HY-15243 Capromorelin (Tartrate) 505.269 CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2| KVLLHLWBPNCVNR-SKCUWOTOSA-N 216208 BRD-K35170555-001-12-9 caprylic-acid 1 8.98 Enamine Z104495238 octanoic acid 144.115 CCCCCCCC(O)=O WWZKQHOCKIZLMA-UHFFFAOYSA-N 379 BRD-K35170555-001-09-5 caprylic-acid 1 0 Enamine Z104495238 144.115 CCCCCCCC(O)=O WWZKQHOCKIZLMA-UHFFFAOYSA-N 379 BRD-K50590187-001-20-7 capsaicin 0 53.56 MicroSource 1501128 CAPSAICIN 305.199 COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O YKPUWZUDDOIDPM-SOFGYWHQSA-N 1548943 BRD-K50590187-001-19-9 capsaicin 0 95.04 Tocris 462 (E)-Capsaicin 305.199 COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O YKPUWZUDDOIDPM-SOFGYWHQSA-N 1548943 BRD-K44849676-001-11-3 capsazepine 0 77.41 Tocris 464 Capsazepine 376.101 Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 DRCMAZOSEIMCHM-UHFFFAOYSA-N 2733484 BRD-K44849676-001-12-9 capsazepine 0 97.32 Tocris 464 Capsazepine 376.101 Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 DRCMAZOSEIMCHM-UHFFFAOYSA-N 2733484 BRD-K44849676-001-10-5 capsazepine 0 92.83 Tocris 464 Capsazepine 376.101 Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 DRCMAZOSEIMCHM-UHFFFAOYSA-N 2733484 BRD-K81645907-001-01-1 captamine 1 0 MicroSource 1301014 CAPTAMINE 105.061 CN(C)CCS DENMGZODXQRYAR-UHFFFAOYSA-N 25799 BRD-K81645907-003-01-7 captamine 1 62.6 SantaCruz sc-213685 2-(Dimethylamino)ethanethiol hydrochloride 105.061 CN(C)CCS DENMGZODXQRYAR-UHFFFAOYSA-N 25799 BRD-A79857384-001-03-6 captan 0 0 AKSci S329 Captan 298.934 "ClC(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@@H]2C1=O |r,c:10|" LDVVMCZRFWMZSG-WDSKDSINSA-N 25775509 BRD-K54529596-001-25-5 captopril 0 0 MicroSource 1500682 CAPTOPRIL 217.077 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O FAKRSMQSSFJEIM-RQJHMYQMSA-N 44093 BRD-K54529596-001-26-3 captopril 0 100 Selleck S2051 Captopril (Capoten) 217.077 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O FAKRSMQSSFJEIM-RQJHMYQMSA-N 44093 BRD-K54529596-001-28-9 captopril 0 0 Selleck S2051 Captopril 217.077 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O FAKRSMQSSFJEIM-RQJHMYQMSA-N 44093 BRD-K96855766-001-01-9 BRD-K62790656-001-01-1 caracemide 0 41.64 Enamine Z2327673243 1-([(methylamino)carbonyl]{[(methylamino)carbonyl]oxy}amino)-1-oxoethane 189.075 CNC(=O)ON(C(C)=O)C(=O)NC JURAJLFHWXNPHG-UHFFFAOYSA-N 54747 BRD-K59895502-001-01-9 caramiphen 0 87.71 ChemDiv 4435-0092 289.204 CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1 OFAIGZWCDGNZGT-UHFFFAOYSA-N 6472 BRD-A50675490-001-01-0 carazolol 0 95.74 Cayman 18628 1-(9H-carbazol-4-yloxy)-3-(isopropylamino)-2-propanol 298.168 "CC(C)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |&1:5,r|" BQXQGZPYHWWCEB-CYBMUJFWSA-N 13023331 BRD-K75037734-003-14-7 carbachol 0 89.52 MicroSource 1500158 CARBACHOL 147.113 C[N+](C)(C)CCOC(N)=O VPJXQGSRWJZDOB-UHFFFAOYSA-O 2551 BRD-K75037734-003-15-9 carbachol 0 100 MedChemEx HY-B1208 Carbamoylcholine (chloride) 147.113 C[N+](C)(C)CCOC(N)=O VPJXQGSRWJZDOB-UHFFFAOYSA-O 2551 BRD-K75037734-003-13-9 carbachol 0 100 Selleck S4359 Carbachol 147.113 C[N+](C)(C)CCOC(N)=O VPJXQGSRWJZDOB-UHFFFAOYSA-O 2551 BRD-K56735750-001-06-8 carbadox 0 92.9 MicroSource 1505294 CARBADOX 262.07 COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-] OVGGLBAWFMIPPY-WUXMJOGZSA-N 135511839 BRD-K56735750-001-10-9 carbadox 0 78.27 MedChemEx HY-B1340 Carbadox 262.07 COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-] OVGGLBAWFMIPPY-WUXMJOGZSA-N 135511839 BRD-K56735750-001-09-2 carbadox 0 65.7 Selleck S4312 Carbadox 262.07 COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-] OVGGLBAWFMIPPY-WUXMJOGZSA-N 135511839 BRD-K06386100-001-01-9 BRD-K56735750-001-07-6 carbadox 0 99.18 Selleck S4312 carbadox 262.07 COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-] OVGGLBAWFMIPPY-WUXMJOGZSA-N 135511839 BRD-K71799949-001-38-0 carbamazepine 0 95.99 Tocris 4098 Carbamazepine 236.095 NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11| FFGPTBGBLSHEPO-UHFFFAOYSA-N 2554 BRD-K71799949-001-36-4 carbamazepine 0 99.2 MicroSource 1500159 CARBAMAZEPINE 236.095 NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11| FFGPTBGBLSHEPO-UHFFFAOYSA-N 2554 BRD-K71799949-001-35-6 carbamazepine 0 98.87 Selleck S1693 Carbamazepine 236.095 NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11| FFGPTBGBLSHEPO-UHFFFAOYSA-N 2554 BRD-K54208592-001-09-4 carbaril 0 54.75 MicroSource 1504347 CARBARIL 201.079 CNC(=O)Oc1cccc2ccccc12 CVXBEEMKQHEXEN-UHFFFAOYSA-N 6129 BRD-K54208592-001-10-9 carbaril 0 94.61 Sigma MFCD00021467 1-Naphthyl-N-methylcarbamate 201.079 CNC(=O)Oc1cccc2ccccc12 CVXBEEMKQHEXEN-UHFFFAOYSA-N 6129 BRD-K94848716-001-11-6 carbarsone 0 69.44 MicroSource 1503868 CARBARSONE 259.978 NC(=O)Nc1ccc(cc1)[As](O)(O)=O WWXBHTZSYYGCSG-UHFFFAOYSA-N 8480 BRD-K94848716-001-12-9 carbarsone 0 100 FrontierSci 500055484 [4-(carbamoylamino)phenyl]arsonic acid 259.978 NC(=O)Nc1ccc(cc1)[As](O)(O)=O WWXBHTZSYYGCSG-UHFFFAOYSA-N 8480 BRD-A11070335-236-02-1 carbazochrome 0 93.38 Selleck S3000 300.053 "CN1[C@@H](CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S(O)(=O)=O |&1:2,t:4,14|" OZCACMPSTYQSMM-DKBJHAQFSA-N BRD-A11070335-236-03-9 carbazochrome 0 97.14 MedChemEx HY-B0491A Carbazochrome (sodium sulfonate) 300.053 "CN1[C@@H](CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S(O)(=O)=O |&1:2,t:4,14|" OZCACMPSTYQSMM-DKBJHAQFSA-N BRD-K12906202-001-06-2 carbendazim 0 98.32 Sigma MFCD00055390 methyl 1H-benzimidazol-2-ylcarbamate 191.069 COC(=O)Nc1nc2ccccc2[nH]1 TWFZGCMQGLPBSX-UHFFFAOYSA-N 25429 BRD-A13078313-304-09-9 carbenicillin 0 0 MedChemEx HY-B0525A Carbenicillin (disodium) 378.089 "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O |a:4,5,22,&1:9|" FPPNZSSZRUTDAP-BBGACYKPSA-N 12877824 BRD-A13078313-304-06-5 carbenicillin 0 0 MicroSource 1500160 CARBENICILLIN DISODIUM 378.089 "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O |a:4,5,22,&1:9|" FPPNZSSZRUTDAP-BBGACYKPSA-N 12877824 BRD-A13078313-304-08-1 carbenicillin 0 0 MedChemEx HY-B0525A "disodium (2S,5R,6R)-3,3-dimethyl-6-[(3-oxido-3-oxo-2-phenylpropanoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 378.089 "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O |a:4,5,22,&1:9|" FPPNZSSZRUTDAP-BBGACYKPSA-N 12877824 BRD-A13078313-304-05-7 carbenicillin 0 0 Selleck S3179 Carbenicillin disodium 378.089 "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O |a:4,5,22,&1:9|" FPPNZSSZRUTDAP-BBGACYKPSA-N 12877824 BRD-A13078313-304-07-3 carbenicillin 0 0 Selleck S3179 Carbenicillin disodium 378.089 "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O |a:4,5,22,&1:9|" FPPNZSSZRUTDAP-BBGACYKPSA-N 12877824 BRD-K12765235-304-04-9 carbenoxolone 0 95 Tocris 3096 Carbenoxolone disodium 570.356 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |t:18| OBZHEBDUNPOCJG-WBXJDKIVSA-N 636403 BRD-K06181161-048-16-9 carbetapentane 0 42.37 MicroSource 1501129 CARBETAPENTANE CITRATE 333.23 CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1 CFJMRBQWBDQYMK-UHFFFAOYSA-N 2562 BRD-K06181161-048-15-1 carbetapentane 0 93.21 Tocris 454 Carbetapentane citrate 333.23 CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1 CFJMRBQWBDQYMK-UHFFFAOYSA-N 2562 BRD-K56107812-001-01-7 carbetocin 0 93.12 MedChemEx HY-17573 Carbetocin 987.485 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O NSTRIRCPWQHTIA-CPWZVOFUSA-N BRD-K78712176-001-13-3 carbidopa 0 0 MicroSource 1502150 CARBIDOPA 226.095 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O TZFNLOMSOLWIDK-JTQLQIEISA-N 34359 BRD-K78712176-001-14-1 carbidopa 0 0 Selleck S1891 Carbidopa 226.095 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O TZFNLOMSOLWIDK-JTQLQIEISA-N 34359 BRD-K78712176-001-11-7 carbidopa 0 0 Selleck S1891 Carbidopa 226.095 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O TZFNLOMSOLWIDK-JTQLQIEISA-N 34359 BRD-K78712176-001-15-8 carbidopa 0 0 MedChemEx HY-B0311 Carbidopa 226.095 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O TZFNLOMSOLWIDK-JTQLQIEISA-N 34359 BRD-A69512159-001-06-5 BRD-K78712176-001-12-5 carbidopa 0 0 Tocris 455 (S)-(-)-Carbidopa 226.095 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O TZFNLOMSOLWIDK-JTQLQIEISA-N 34359 BRD-K87156652-001-14-9 carbimazole 0 94.34 MedChemEx HY-B0558 Carbimazole 186.046 CCOC(=O)n1ccn(C)c1=S CFOYWRHIYXMDOT-UHFFFAOYSA-N 31072 BRD-K87156652-001-11-9 carbimazole 0 77.48 Selleck S4048 Carbimazole 186.046 CCOC(=O)n1ccn(C)c1=S CFOYWRHIYXMDOT-UHFFFAOYSA-N 31072 BRD-K87156652-001-12-7 carbimazole 0 86.2 MicroSource 1505323 CARBIMAZOLE 186.046 CCOC(=O)n1ccn(C)c1=S CFOYWRHIYXMDOT-UHFFFAOYSA-N 31072 BRD-K87156652-001-13-5 carbimazole 0 58.46 Selleck S4048 Carbimazole 186.046 CCOC(=O)n1ccn(C)c1=S CFOYWRHIYXMDOT-UHFFFAOYSA-N 31072 BRD-K01826745-050-08-9 carbinoxamine 0 94.11 MedChemEx HY-B1589A Carbinoxamine maleate salt 290.119 CN(C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1 |&1:6| OJFSXZCBGQGRNV-INIZCTEOSA-N 170336 BRD-K90947825-001-03-5 carboplatin 1 0 MicroSource 1502106 CARBOPLATIN 369.029 N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1 YAYRGNWWLMLWJE-UHFFFAOYSA-L 73554252 BRD-K11626735-318-08-7 BRD-K90947825-001-05-0 carboplatin 1 0 Selleck S1215 Carboplatin 369.029 N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1 YAYRGNWWLMLWJE-UHFFFAOYSA-L 73554252 BRD-M80278122-318-03-3 BRD-K90947825-001-02-7 carboplatin 1 71.13 Tocris 2626 Carboplatin 369.029 N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1 YAYRGNWWLMLWJE-UHFFFAOYSA-L 73554252 BRD-K64763651-001-01-1 BRD-K90947825-001-07-9 carboplatin 1 0 Tocris 2626 Carboplatin 369.029 N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1 YAYRGNWWLMLWJE-UHFFFAOYSA-L 73554252 BRD-K90947825-001-04-3 carboplatin 1 0 Selleck S1215 Carboplatin 369.029 N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1 YAYRGNWWLMLWJE-UHFFFAOYSA-L 73554252 BRD-M80278122-318-02-5 BRD-K68408772-001-05-4 carboxyamidotriazole 0 99.81 Sigma MFCD00866325 "5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1H-1,2,3-triazole-4-carboxamide" 423.006 NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N WNRZHQBJSXRYJK-UHFFFAOYSA-N 108144 BRD-K68408772-001-06-9 carboxyamidotriazole 0 Tocris 3086 "L-651,582" 423.006 NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N WNRZHQBJSXRYJK-UHFFFAOYSA-N 108144 BRD-K23533833-001-01-9 carboxylosartan 0 98.87 Cayman 15957 "2-butyl-4-chloro-1-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid" 436.141 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 ZEUXAIYYDDCIRX-UHFFFAOYSA-N 108185 BRD-K26530649-001-01-6 carboxypyridine-disulfide 0 98.3 Sigma MFCD00006454 "6,6'-disulfanediyldinicotinic acid" 307.993 OC(=O)c1ccc(SSc2ccc(cn2)C(O)=O)nc1 GSASOFRDSIKDSN-UHFFFAOYSA-N 85040 BRD-K99174507-003-03-8 cardiogenol-C 0 95.68 Tocris 3851 Cardiogenol C hydrochloride 260.127 COc1ccc(Nc2nccc(NCCO)n2)cc1 LKBSMPFEKIBRGC-UHFFFAOYSA-N 11345983 BRD-K99174507-003-02-0 cardiogenol-C 0 95.96 Tocris 3851 Cardiogenol C hydrochloride 260.127 COc1ccc(Nc2nccc(NCCO)n2)cc1 LKBSMPFEKIBRGC-UHFFFAOYSA-N 11345983 BRD-K99174507-003-04-9 cardiogenol-C 0 94.71 Tocris 3851 Cardiogenol C hydrochloride 260.127 COc1ccc(Nc2nccc(NCCO)n2)cc1 LKBSMPFEKIBRGC-UHFFFAOYSA-N 11345983 BRD-K50905564-001-08-9 cardionogen-1 0 93.1 Tocris 4475 Cardionogen 1 274.089 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1 SWTUPSNBTSPBIH-UHFFFAOYSA-N 663145 BRD-K50905564-001-07-7 cardionogen-1 0 91.85 Tocris 4475 Cardionogen 1 274.089 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1 SWTUPSNBTSPBIH-UHFFFAOYSA-N 663145 BRD-K49554218-001-01-0 carebastine 0 98.51 ChemImpex 24186 499.272 CC(C)(C(O)=O)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1 XGHOVGYJHWQGCC-UHFFFAOYSA-N 65820 BRD-K15179879-001-11-9 carfilzomib 0 98.07 MedChemEx HY-10455 Carfilzomib 719.426 CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 BLMPQMFVWMYDKT-NZTKNTHTSA-N 11556711 BRD-K15179879-001-03-2 carfilzomib 0 95.76 Selleck S2853 Carfilzomib (PR-171) 719.426 CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 BLMPQMFVWMYDKT-NZTKNTHTSA-N 11556711 BRD-K60240222-001-02-9 carglumic-acid 0 0 MedChemEx HY-B0711 Carglumic Acid 190.059 NC(=O)N[C@@H](CCC(O)=O)C(O)=O LCQLHJZYVOQKHU-VKHMYHEASA-N 121396 BRD-K60240222-001-01-4 carglumic-acid 0 100 MicroSource 1506153 CARGLUMIC ACID 190.059 NC(=O)N[C@@H](CCC(O)=O)C(O)=O LCQLHJZYVOQKHU-VKHMYHEASA-N 121396 BRD-K90215590-001-01-4 caricotamide 0 0 Enamine Z2306534737 "1-(2-amino-2-oxoethyl)-1,4-dihydro-3-pyridinecarboxamide" 181.085 "NC(=O)CN1C=CCC(=C1)C(N)=O |c:5,8|" WEJRSYKFMCUCRQ-UHFFFAOYSA-N 403128 BRD-K21670884-001-01-9 cariporide 0 97.4 SantaCruz sc-337619A 283.099 CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)N=C(N)N IWXNYAIICFKCTM-UHFFFAOYSA-N 151172 BRD-K57764956-001-02-8 cariprazine 0 97.64 MedChemEx HY-14763 Cariprazine 426.195 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r| KPWSJANDNDDRMB-QAQDUYKDSA-N BRD-K11630072-001-12-4 carmofur 0 0 MicroSource 1505317 CARMOFUR 257.118 CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O AOCCBINRVIKJHY-UHFFFAOYSA-N 2577 BRD-K11630072-001-13-2 carmofur 0 86.52 Selleck S1289 Carmofur 257.118 CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O AOCCBINRVIKJHY-UHFFFAOYSA-N 2577 BRD-K11630072-001-11-6 carmofur 0 0 Selleck S1289 Carmofur 257.118 CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O AOCCBINRVIKJHY-UHFFFAOYSA-N 2577 BRD-K25095405-001-01-5 carmoterol 0 24.66 BidePharm BD239285 368.174 COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 IHOXNOQMRZISPV-YJYMSZOUSA-N 86306667 BRD-A25157829-001-01-3 BRD-K82484965-003-04-3 carmoxirole 0 91.82 Tocris 2193 "3-[4-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)butyl]-1H-indole-5-carboxylic acid hydrochloride" 374.199 OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:17| AFSOIHMEOKEZJF-UHFFFAOYSA-N 86308157 BRD-K82484965-003-03-5 carmoxirole 0 81.89 Tocris 2193 Carmoxirole hydrochloride 374.199 OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:17| AFSOIHMEOKEZJF-UHFFFAOYSA-N 86308157 BRD-K36234266-001-09-8 carmustine 1 24.61 MicroSource 1503110 CARMUSTINE 213.007 [O-][NH2+]N(CCCl)C(=O)NCCCl IIJOAQBKDPUMEO-UHFFFAOYSA-N 59087767 BRD-K36234266-001-10-6 carmustine 1 MicroSource 1503110 CARMUSTINE 213.007 [O-][NH2+]N(CCCl)C(=O)NCCCl IIJOAQBKDPUMEO-UHFFFAOYSA-N 59087767 BRD-A89594340-003-12-3 carnitine-(D/L) 0 100 MicroSource 1500624 CARNITINE (dl) HYDROCHLORIDE 162.113 C[N+](C)(C)C[C@@H](O)CC(O)=O |&1:5| PHIQHXFUZVPYII-LURJTMIESA-O 160907 BRD-A89594340-003-11-5 carnitine-(D/L) 0 100 Selleck S2293 DL-Carnitine HCl 162.113 C[N+](C)(C)C[C@@H](O)CC(O)=O |&1:5| PHIQHXFUZVPYII-LURJTMIESA-O 160907 BRD-A89594340-003-13-1 carnitine-(D/L) 0 100 Selleck S2293 CARNITINE HYDROCHLORIDE 162.113 C[N+](C)(C)C[C@@H](O)CC(O)=O |&1:5| PHIQHXFUZVPYII-LURJTMIESA-O 160907 BRD-A96051074-001-02-2 carnosine 0 0 SantaCruz sc-202521A 226.107 "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |&1:6,r|" CQOVPNPJLQNMDC-ZETCQYMHSA-N 6992100 BRD-K70161083-003-05-5 caroverin 0 86.74 Sigma MFCD01684929 1-[2-(diethylamino)ethyl]-3-(4-methoxybenzyl)-2(1H)-quinoxalinone hydrochloride 365.21 CCN(CC)CCn1c2ccccc2nc(Cc2ccc(OC)cc2)c1=O MSPRUJDUTKRMLM-UHFFFAOYSA-N 65709 BRD-K70161083-001-06-9 caroverin 0 92.73 AMS C0260 Caroverin 365.21 CCN(CC)CCn1c2ccccc2nc(Cc2ccc(OC)cc2)c1=O MSPRUJDUTKRMLM-UHFFFAOYSA-N 65709 BRD-K92129045-001-01-6 caroxazone 0 97.63 Enamine Z2327531727 "2-(2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetamide" 206.069 NC(=O)CN1Cc2ccccc2OC1=O KYCBWEZLKCTALM-UHFFFAOYSA-N 29083 BRD-A17411484-001-11-9 carprofen 0 98.54 MicroSource 1502006 CARPROFEN 273.056 "C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 |&1:1,r|" PUXBGTOOZJQSKH-MRVPVSSYSA-N 6997572 BRD-A17411484-001-10-1 carprofen 0 95.61 Selleck S4136 Carprofen 273.056 "C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 |&1:1,r|" PUXBGTOOZJQSKH-MRVPVSSYSA-N 6997572 BRD-A17411484-001-13-9 carprofen 0 98.72 MedChemEx HY-B1227 Carprofen 273.056 "C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 |&1:1,r|" PUXBGTOOZJQSKH-MRVPVSSYSA-N 6997572 BRD-K13238618-001-06-9 carsalam 0 93.9 MedChemEx HY-B1047 Carsalam 163.027 O=c1[nH]c(=O)c2ccccc2o1 OAYRYNVEFFWSHK-UHFFFAOYSA-N 16258 BRD-K13238618-001-05-9 carsalam 0 99.02 MicroSource 1504504 CARSALAM 163.027 O=c1[nH]c(=O)c2ccccc2o1 OAYRYNVEFFWSHK-UHFFFAOYSA-N 16258 BRD-A42167015-003-10-2 carteolol 0 98.62 MedChemEx HY-17495A Carteolol (hydrochloride) 292.179 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 LWAFSWPYPHEXKX-UHFFFAOYSA-N 49852288 BRD-K71026158-304-01-0 carumonam 0 97.4 Sigma MFCD00875847 "disodium ({[(Z)-2-[((2S,3S)-2-{[(aminocarbonyl)oxy]methyl}-4-oxo-1-sulfonato-3-azetidinyl)amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino}oxy)acetate" 466.021 NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O UIMOJFJSJSIGLV-JNHMLNOCSA-N 6540466 BRD-K01826535-001-02-9 carvedilol 0 96.9 Tocris 2685 Carvedilol 406.189 COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |&1:13| OGHNVEJMJSYVRP-QGZVFWFLSA-N 185394 BRD-K09295674-001-09-8 carzenide 0 92.92 MicroSource 1504505 CARZENIDE 201.01 NS(=O)(=O)c1ccc(cc1)C(O)=O UCAGLBKTLXCODC-UHFFFAOYSA-N 8739 BRD-K12413266-001-01-3 casanthranol-variant 0 0 MicroSource 1506179 CASANTHRANOL [cascaroside A shown] 434.121 OC[C@H]1O[C@@H](Oc2c3cccc(O)c3c(O)c3c(O)cc(CO)cc23)[C@H](O)[C@H](O)[C@H]1O XMCJWIFCIIXRGI-BAEVKLAGSA-N 132469060 BRD-K12413266-001-02-1 casanthranol-variant 0 0 Selleck S5132 CASANTHRANOL [cascaroside A shown] 434.121 OC[C@H]1O[C@@H](Oc2c3cccc(O)c3c(O)c3c(O)cc(CO)cc23)[C@H](O)[C@H](O)[C@H]1O XMCJWIFCIIXRGI-BAEVKLAGSA-N 132469060 BRD-A25043798-001-02-9 casin 0 89.58 Tocris 5050 CASIN 306.173 "OCCN[C@H]1CCCc2c1[nH]c1ccc(cc21)-c1ccccc1 |&1:4,r|" RXIUMAOXORBRCY-IBGZPJMESA-N 1600664 BRD-A25043798-001-01-2 casin 0 87.75 Tocris 5050 CASIN 306.173 "OCCN[C@H]1CCCc2c1[nH]c1ccc(cc21)-c1ccccc1 |&1:4,r|" RXIUMAOXORBRCY-IBGZPJMESA-N 1600664 BRD-K00002625-402-02-9 caspofungin 0 100 MedChemEx HY-17006 Caspofungin (Acetate) 1092.643 [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O JYIKNQVWKBUSNH-WVDDFWQHSA-N 16119814 BRD-K20897876-001-11-8 castanospermine 0 97.7 Tocris 759 Castanospermine 189.1 O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 JDVVGAQPNNXQDW-TVNFTVLESA-N 54445 BRD-K20897876-001-10-0 castanospermine 0 100 Tocris 759 Castanospermine 189.1 O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 JDVVGAQPNNXQDW-TVNFTVLESA-N 54445 BRD-K92377961-001-04-9 catharanthine 0 81.19 MedChemEx HY-N0252 Catharanthine 336.184 CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:2| CMKFQVZJOWHHDV-NQZBTDCJSA-N 5458190 BRD-K92377961-001-03-7 catharanthine 0 82.42 Selleck S3202 Catharanthine 336.184 CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:2| CMKFQVZJOWHHDV-NQZBTDCJSA-N 5458190 BRD-K92377961-001-02-9 catharanthine 0 34.13 Selleck S3202 Catharanthine 336.184 CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:2| CMKFQVZJOWHHDV-NQZBTDCJSA-N 5458190 BRD-K40269473-001-02-2 cathepsin-inhibitor-1 0 97.25 Selleck S2847 Cathepsin Inhibitor 1 401.162 Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C MZRVIHRERYCHBL-HNNXBMFYSA-N 44224135 BRD-K40269473-001-03-0 cathepsin-inhibitor-1 0 98.4 Selleck S2847 Cathepsin Inhibitor 1 401.162 Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C MZRVIHRERYCHBL-HNNXBMFYSA-N 44224135 BRD-K40366680-001-05-9 CAY10505 0 79.72 MedChemEx HY-13530 CAY10505 289.021 Fc1ccc(cc1)-c1ccc(\C=C2\SC(=O)NC2=O)o1 UFBTYTGRUBUUIL-KPKJPENVSA-N 1204893 BRD-K40366680-001-04-1 CAY10505 0 92.14 Selleck S2682 CAY10505 289.021 Fc1ccc(cc1)-c1ccc(\C=C2\SC(=O)NC2=O)o1 UFBTYTGRUBUUIL-KPKJPENVSA-N 1204893 BRD-K40366680-001-03-3 CAY10505 0 80.05 Selleck S2682 CAY10505 289.021 Fc1ccc(cc1)-c1ccc(\C=C2\SC(=O)NC2=O)o1 UFBTYTGRUBUUIL-KPKJPENVSA-N 1204893 BRD-K41779183-001-01-2 CB-03-01 0 79.66 MedChemEx HY-13331 17 alpha-propionate 402.241 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO |t:12| GPNHMOZDMYNCPO-PDUMRIMRSA-N 11750009 BRD-K41779183-001-02-0 CB-03-01 0 85.64 MedChemEx HY-13331 Cortexolone 17 alpha-propionate 402.241 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO |t:12| GPNHMOZDMYNCPO-PDUMRIMRSA-N 11750009 BRD-K59929863-001-02-9 CB-10-277 0 93.57 Labotest LT00039235 "4-[(1E)-3,3-dimethyl-1-triazenyl]benzoic acid" 193.085 CN(C)\N=N\c1ccc(cc1)C(O)=O GUAZPUYTLMUTMA-ZHACJKMWSA-N BRD-K59929863-001-01-9 CB-10-277 0 99.53 Vitas-M STK021840 193.085 CN(C)\N=N\c1ccc(cc1)C(O)=O GUAZPUYTLMUTMA-ZHACJKMWSA-N BRD-K49048664-001-02-0 CB-5083 0 96.43 MedChemEx HY-12861 CB-5083 413.185 Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O RDALZZCKQFLGJP-UHFFFAOYSA-N 73051434 BRD-K49048664-001-01-2 CB-5083 0 96.62 ApexBio B6032 CB-5083 413.185 Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O RDALZZCKQFLGJP-UHFFFAOYSA-N 73051434 BRD-K58070273-001-03-3 CB-839 0 94.65 Broad Institute CB-839 571.161 FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 PRAAPINBUWJLGA-UHFFFAOYSA-N 71577426 BRD-K58070273-001-04-1 CB-839 0 94.57 MedChemEx HY-12248 CB-839 571.161 FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 PRAAPINBUWJLGA-UHFFFAOYSA-N 71577426 BRD-K34675210-003-01-4 CBiPES 0 98.08 Tocris 3949 CBiPES hydrochloride 377.12 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)-c1ccc(cc1)C#N HDVYXILCBYGKGU-UHFFFAOYSA-N 9864510 BRD-K34675210-003-02-9 CBiPES 0 97.65 Tocris 3949 CBiPES hydrochloride 377.12 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)-c1ccc(cc1)C#N HDVYXILCBYGKGU-UHFFFAOYSA-N 9864510 BRD-K00003273-003-01-9 cbl0137 0 94.17 MedChemEx HY-18935A CBL0137 hydrochloride 336.184 CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O JKCSODVERGVDLT-UHFFFAOYSA-N 44519124 BRD-K91874254-001-01-4 CBS-1114 0 50.58 Vitas-M STL483463 N'-phenylbenzimidohydrazide 211.111 NC(=NNc1ccccc1)c1ccccc1 ZOBKPJRHDMKXQG-UHFFFAOYSA-N 6338223 BRD-K16755045-003-01-7 CC-115 0 84.53 MedChemEx HY-16962A CC-115 (hydrochloride) 336.145 "CCN1C(=O)CN=C2NC=C(N=C12)c1ccc(nc1C)-c1nnc[nH]1 |c:9,t:6,11|" GMYLVKUGJMYTFB-UHFFFAOYSA-N 58298318 BRD-K16755045-001-01-1 CC-115 0 45.35 MedChemEx HY-16962 CC-115 336.145 "CCN1C(=O)CN=C2NC=C(N=C12)c1ccc(nc1C)-c1nnc[nH]1 |c:9,t:6,11|" GMYLVKUGJMYTFB-UHFFFAOYSA-N 58298318 BRD-K16755045-003-02-5 CC-115 0 93.43 MedChemEx HY-16962A CC-115 (hydrochloride) 336.145 "CCN1C(=O)CN=C2NC=C(N=C12)c1ccc(nc1C)-c1nnc[nH]1 |c:9,t:6,11|" GMYLVKUGJMYTFB-UHFFFAOYSA-N 58298318 BRD-K88737571-001-02-2 CC-223 0 84.46 MedChemEx HY-16956 CC-223 397.211 CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r| UFKLYTOEMRFKAD-SHTZXODSSA-N BRD-K88737571-001-01-4 CC-223 0 34.57 MedChemEx HY-16956 CC-223 397.211 CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r| UFKLYTOEMRFKAD-SHTZXODSSA-N BRD-K00004320-300-01-9 CC-401 0 97.22 Tocris 6258 CC 401 dihydrochloride 388.201 C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1 XDJCLCLBSGGNKS-UHFFFAOYSA-N 10430360 BRD-K00003116-001-01-9 CC-90003 0 98.09 MedChemEx HY-112570 CC-90003 458.168 COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1 ILUKRINUNLAVMH-UHFFFAOYSA-N 90331177 BRD-K48213016-001-01-8 CC-930 0 94.72 MedChemEx HY-15495 CC-930 448.183 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 IBGLGMOPHJQDJB-IHRRRGAJSA-N BRD-K48213016-001-02-9 CC-930 0 94.24 MedChemEx HY-15495 Tanzisertib 448.183 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 IBGLGMOPHJQDJB-IHRRRGAJSA-N BRD-K17751100-001-02-9 CC4 0 89.23 Tocris 5236 CC4 406.237 O=c1cccc2[C@@H]3C[C@@H](CN(CCN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)C3)Cn12 LEXDAVFCJPDCNA-VNTMZGSJSA-N 91654624 BRD-K17751100-001-01-1 CC4 0 82.66 Tocris 5236 CC4 406.237 O=c1cccc2[C@@H]3C[C@@H](CN(CCN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)C3)Cn12 LEXDAVFCJPDCNA-VNTMZGSJSA-N 91654624 BRD-A79726147-001-02-9 CCG-1423 0 94.04 Tocris 5233 CCG 1423 454.052 "C[C@@H](ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |&1:1,r|" DSMXVSGJIDFLKP-SECBINFHSA-N 40782280 BRD-A79726147-001-01-5 CCG-1423 0 87.77 Tocris 5233 CCG 1423 454.052 "C[C@@H](ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |&1:1,r|" DSMXVSGJIDFLKP-SECBINFHSA-N 40782280 BRD-K08893438-001-08-9 CCG-50014 0 91.85 Tocris 4567 CCG 50014 316.068 Cc1ccc(cc1)-n1sc(=O)n(Cc2ccc(F)cc2)c1=O QUIIIYITNGOFEI-UHFFFAOYSA-N 2733079 BRD-K08893438-001-06-4 CCG-50014 0 24.05 Tocris 4567 CCG 50014 316.068 Cc1ccc(cc1)-n1sc(=O)n(Cc2ccc(F)cc2)c1=O QUIIIYITNGOFEI-UHFFFAOYSA-N 2733079 BRD-K08893438-001-04-9 CCG-50014 0 97.23 Selleck S2901 CCG 50014 316.068 Cc1ccc(cc1)-n1sc(=O)n(Cc2ccc(F)cc2)c1=O QUIIIYITNGOFEI-UHFFFAOYSA-N 2733079 BRD-K08893438-001-03-1 CCG-50014 0 1.03 Selleck S2901 CCG 50014 316.068 Cc1ccc(cc1)-n1sc(=O)n(Cc2ccc(F)cc2)c1=O QUIIIYITNGOFEI-UHFFFAOYSA-N 2733079 BRD-K26970495-001-02-7 CCG-63802 0 3.27 MedChemEx HY-70074 CCG-63802 450.115 Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)c2nc3ccccc3s2)c1 VFSVKVQMZDJFQX-NBVRZTHBSA-N 6057678 BRD-K26970495-001-01-9 CCG-63802 0 0 MedChemEx HY-70074 CCG-63802 450.115 Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)c2nc3ccccc3s2)c1 VFSVKVQMZDJFQX-NBVRZTHBSA-N 6057678 BRD-K68474505-001-02-7 CCG-63808 0 8.02 MedChemEx HY-70075 CCG-63808 454.09 Cc1cccn2c1nc(Oc1ccc(F)cc1)c(\C=C(/C#N)c1nc3ccccc3s1)c2=O IPZHFKHGSYRBNT-DTQAZKPQSA-N 5948316 BRD-K68474505-001-01-9 CCG-63808 0 0.62 MedChemEx HY-70075 CCG-63808 454.09 Cc1cccn2c1nc(Oc1ccc(F)cc1)c(\C=C(/C#N)c1nc3ccccc3s1)c2=O IPZHFKHGSYRBNT-DTQAZKPQSA-N 5948316 BRD-K16338837-001-01-8 CCMI 0 92.17 Tocris 3837 CCMI 387.054 Cc1cc(on1)C(=CNc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 VMAKIACTLSBBIY-UHFFFAOYSA-N 67042344 BRD-K16338837-001-02-6 CCMI 0 93.64 Tocris 3837 CCMI 387.054 Cc1cc(on1)C(=CNc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 VMAKIACTLSBBIY-UHFFFAOYSA-N 67042344 BRD-K19859123-001-01-3 BRD-K16338837-001-03-9 CCMI 0 50.93 Tocris 3837 CCMI 387.054 Cc1cc(on1)C(=CNc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 VMAKIACTLSBBIY-UHFFFAOYSA-N 67042344 BRD-K06159959-001-03-9 CCMQ 0 97.59 Tocris 1238 CCMQ 231.053 OC(=O)Cc1cc2ccccc2nc1C(O)=O IFXJDEHFADWURH-UHFFFAOYSA-N 3337816 BRD-K06159959-001-02-0 CCMQ 0 65.42 Tocris 1238 CCMQ 231.053 OC(=O)Cc1cc2ccccc2nc1C(O)=O IFXJDEHFADWURH-UHFFFAOYSA-N 3337816 BRD-K90999434-004-02-9 CCT-031374 0 97.42 Tocris 4675 CCT 031374 hydrobromide 353.153 O=C(CN1C2=NCCN2c2ccccc12)c1ccc(cc1)-c1ccccc1 |t:4| JPCYSKNELCOPKJ-UHFFFAOYSA-N 2853753 BRD-K90999434-004-01-7 CCT-031374 0 89.63 Tocris 4675 CCT 031374 hydrobromide 353.153 O=C(CN1C2=NCCN2c2ccccc12)c1ccc(cc1)-c1ccccc1 |t:4| JPCYSKNELCOPKJ-UHFFFAOYSA-N 2853753 BRD-K65503129-001-07-1 CCT018159 0 97.39 Tocris 2435 CCT 018159 352.142 CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O OWPMENVYXDJDOW-UHFFFAOYSA-N 984170 BRD-K65503129-001-06-3 CCT018159 0 95.87 Tocris 2435 CCT 018159 352.142 CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O OWPMENVYXDJDOW-UHFFFAOYSA-N 984170 BRD-K76406695-001-02-9 CCT128930 0 96.82 Selleck S2635 CCT128930 341.141 NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 RZIDZIGAXXNODG-UHFFFAOYSA-N 17751819 BRD-K76406695-001-05-9 CCT128930 0 95.15 MedChemEx HY-13260 CCT128930 341.141 NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 RZIDZIGAXXNODG-UHFFFAOYSA-N 17751819 BRD-K57136142-001-02-4 CCT129202 0 82.82 Selleck S1519 CCT129202 496.156 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 QYKHWEFPFAGNEV-UHFFFAOYSA-N 16202152 BRD-K57136142-001-03-2 CCT129202 0 40.64 Selleck S1519 CCT129202 496.156 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 QYKHWEFPFAGNEV-UHFFFAOYSA-N 16202152 BRD-K57136142-001-04-9 CCT129202 0 92.03 MedChemEx HY-12049 CCT129202 496.156 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 QYKHWEFPFAGNEV-UHFFFAOYSA-N 16202152 BRD-K03289018-001-02-7 CCT137690 0 85.27 Selleck S2744 CCT137690 550.18 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 GFLQCBTXTRCREJ-UHFFFAOYSA-N 25154041 BRD-K03289018-001-03-5 CCT137690 0 90.43 Selleck S2744 CCT137690 550.18 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 GFLQCBTXTRCREJ-UHFFFAOYSA-N 25154041 BRD-K03289018-001-04-3 CCT137690 0 97.74 Tocris 4291 CCT 137690 550.18 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 GFLQCBTXTRCREJ-UHFFFAOYSA-N 25154041 BRD-K03289018-001-05-9 CCT137690 0 95.41 Tocris 4291 CCT 137690 550.18 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 GFLQCBTXTRCREJ-UHFFFAOYSA-N 25154041 BRD-K00005244-001-01-9 CCT196969 0 90.52 MedChemEx HY-12846 CCT196969 513.192 CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(O)cnc34)cc2F)n(n1)-c1ccccc1 KYYKGSDLXXKQCR-UHFFFAOYSA-N 42628843 BRD-K00003276-001-01-9 CCT245737 0 89.88 MedChemEx HY-18958 CCT245737 379.137 FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 YBYYWUUUGCNAHQ-LLVKDONJSA-N 72165232 BRD-K09619322-001-03-8 CD-1530 0 92.54 Tocris 2554 CD 1530 398.188 OC(=O)c1ccc(cc1)-c1ccc2cc(O)c(cc2c1)C12CC3CC(CC(C3)C1)C2 VCQGNUWOMLYNNG-UHFFFAOYSA-N 9952709 BRD-K25737009-001-04-6 BRD-K09619322-001-04-9 CD-1530 0 93.52 Tocris 2554 CD 1530 398.188 OC(=O)c1ccc(cc1)-c1ccc2cc(O)c(cc2c1)C12CC3CC(CC(C3)C1)C2 VCQGNUWOMLYNNG-UHFFFAOYSA-N 9952709 BRD-K28907958-001-05-0 CD-437 0 94.37 Tocris 1549 CD 437 398.188 OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 LDGIHZJOIQSHPB-UHFFFAOYSA-N 135411 BRD-K28907958-001-04-3 CD-437 0 96.59 Tocris 1549 CD 437 398.188 OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 LDGIHZJOIQSHPB-UHFFFAOYSA-N 135411 BRD-A08079565-001-01-8 CDBA 0 97.04 EMDBio 239760-25GM Cyclodextrin 1134.37 "OC[C@H]1O[C@H]2O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](CO)O[C@@H](O[C@H]6[C@@H](CO)O[C@@H](O[C@H]7[C@@H](CO)O[C@@H](O[C@H]8[C@@H](CO)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O |&1:2,&2:4,&3:6,&4:7,&5:11,&6:13,&7:14,&8:18,&9:20,&10:21,&11:25,&12:27,&13:28,&14:32,&15:34,&16:35,&17:39,&18:41,&19:42,&20:46,&21:48,&22:49,&23:51,&24:53,&25:55,&26:57,&27:59,&28:61,&29:63,&30:65,&31:67,&32:69,&33:71,&34:73,&35:75,r|" WHGYBXFWUBPSRW-GUJBRCDDSA-N BRD-K87932577-001-04-9 CDK1-5-inhibitor 0 84.79 Tocris 1937 NSC 693868 185.07 Nc1[nH]nc2nc3ccccc3nc12 DWHVZCLBMTZRQM-UHFFFAOYSA-N 438981 BRD-K87932577-001-02-4 CDK1-5-inhibitor 0 97.23 Tocris 1937 NSC 693868 185.07 Nc1[nH]nc2nc3ccccc3nc12 DWHVZCLBMTZRQM-UHFFFAOYSA-N 438981 BRD-K43914553-001-01-5 CDK9-IN-6 0 96.73 MedChemEx HY-12214 CDK9-IN-6 512.267 COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 XWQVQSXLXAXOPJ-ACRUOGEOSA-N BRD-K02213468-001-02-3 CDPPB 0 96.82 Tocris 3235 CDPPB 364.132 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N BKUIZWILNWHFHD-UHFFFAOYSA-N 11245456 BRD-K02213468-001-03-9 CDPPB 0 96.95 Tocris 3235 CDPPB 364.132 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N BKUIZWILNWHFHD-UHFFFAOYSA-N 11245456 BRD-A47940219-001-02-9 CE3F4 0 96.7 Tocris 4793 CE3F4 348.911 "C[C@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |&1:1,r|" ZZLQPWXVZCPUGC-LURJTMIESA-N 73669656 BRD-A47940219-001-01-4 CE3F4 0 98.53 Tocris 4793 CE3F4 348.911 "C[C@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |&1:1,r|" ZZLQPWXVZCPUGC-LURJTMIESA-N 73669656 BRD-K48141473-001-01-7 cebranopadol 0 95.64 MedChemEx HY-15536 Cebranopadol 378.211 CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r| CSMVOZKEWSOFER-RQNOJGIXSA-N BRD-K48141473-001-02-9 cebranopadol 0 94.31 MedChemEx HY-15536 Cebranopadol 378.211 CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r| CSMVOZKEWSOFER-RQNOJGIXSA-N BRD-K86930074-001-06-9 cediranib 0 96.62 MedChemEx HY-10205 Cediranib 450.207 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 XXJWYDDUDKYVKI-UHFFFAOYSA-N 9933475 BRD-K86930074-001-05-0 cediranib 0 90.12 Selleck S1017 Cediranib (AZD2171) 450.207 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 XXJWYDDUDKYVKI-UHFFFAOYSA-N 9933475 BRD-A61188230-001-01-6 cedrol 0 0 Vitas-M STK066400 222.198 "C[C@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O |&1:1,&2:4,&3:8,&4:10,&5:13,r|" SVURIXNDRWRAFU-OBORUHMCSA-N BRD-K96362839-001-01-9 cedrol-(+) 0 0 Sigma MFCD00077619 "(7beta,8alpha)-cedran-8-ol" 222.198 C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O SVURIXNDRWRAFU-OGMFBOKVSA-N 65575 BRD-K96362839-001-02-9 cedrol-(+) 0 0 Vitas-M STK066400 Cedrol 222.198 C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O SVURIXNDRWRAFU-OGMFBOKVSA-N 65575 BRD-K20338176-001-19-9 cefaclor 0 70.5 MedChemEx HY-B0198 Cefaclor 367.039 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| QYIYFLOTGYLRGG-GPCCPHFNSA-N 7048572 BRD-K20338176-001-18-5 cefaclor 0 43.36 Selleck S1499 Cefaclor (Ceclor) 367.039 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| QYIYFLOTGYLRGG-GPCCPHFNSA-N 7048572 BRD-K20338176-001-17-7 cefaclor 0 89.07 MicroSource 1500771 CEFACLOR 367.039 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| QYIYFLOTGYLRGG-GPCCPHFNSA-N 7048572 BRD-K20338176-001-16-9 cefaclor 0 73.15 Selleck S1499 Cefaclor (Ceclor) 367.039 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| QYIYFLOTGYLRGG-GPCCPHFNSA-N 7048572 BRD-K63242551-001-10-9 cefadroxil 0 70 MedChemEx HY-B1190 Cefadroxil 363.089 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |t:1| BOEGTKLJZSQCCD-UEKVPHQBSA-N 6560167 BRD-K15514357-001-05-6 cefalonium 0 0 MicroSource 1505997 CEFALONIUM 459.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2cccs2)C3=O)C(O)=O)cc1 |t:8| FMZXNVLFJHCSAF-DNVCBOLYSA-O 21744 BRD-K15514357-002-06-9 cefalonium 0 58.98 Toronto c236800 cefalonium hydrate 459.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2cccs2)C3=O)C(O)=O)cc1 |t:8| FMZXNVLFJHCSAF-DNVCBOLYSA-O 21744 BRD-K27130738-236-14-1 cefamandole 0 0 Sigma MFCD07793339 "sodium (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 462.078 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O |t:9| OLVCFLKTBJRLHI-AXAPSJFSSA-N 456255 BRD-K27130738-236-15-8 cefamandole 0 32.02 MicroSource 1502038 CEFAMANDOLE SODIUM 462.078 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O |t:9| OLVCFLKTBJRLHI-AXAPSJFSSA-N 456255 BRD-A23933379-236-04-9 BRD-K17903788-236-01-9 cefamandole-nafate 0 24.28 MedChemEx HY-B1166 Cefamandole (nafate) 490.073 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](OC=O)c1ccccc1)C2=O)C(O)=O |t:9| RRJHESVQVSRQEX-SUYBPPKGSA-N 5284527 BRD-K17903788-236-02-7 cefamandole-nafate 0 43.32 MedChemEx HY-B1166 Cefamandole (nafate) 490.073 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](OC=O)c1ccccc1)C2=O)C(O)=O |t:9| RRJHESVQVSRQEX-SUYBPPKGSA-N 5284527 BRD-K17903788-236-03-5 cefamandole-nafate 0 0 MicroSource 1502041 CEFAMANDOLE NAFATE 490.073 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](OC=O)c1ccccc1)C2=O)C(O)=O |t:9| RRJHESVQVSRQEX-SUYBPPKGSA-N 5284527 BRD-A02439449-236-04-8 BRD-K63835048-001-01-0 cefathiamidine 0 68.39 AKSci S023 472.145 CC(C)N\C(SCC(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)=N/C(C)C |c:19| JYXACOFERDBGGQ-RHSMWYFYSA-N 44537522 BRD-K99750640-236-20-3 cefazolin 0 87.37 MedChemEx HY-B1078 Cefazolin (sodium) 454.03 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |t:7| MLYYVTUWGNIJIB-BXKDBHETSA-N 33255 BRD-K99750640-236-18-7 cefazolin 0 35.66 MicroSource 1500164 CEFAZOLIN SODIUM 454.03 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |t:7| MLYYVTUWGNIJIB-BXKDBHETSA-N 33255 BRD-K99750640-236-19-5 cefazolin 0 0 MedChemEx HY-B1078 Cefazolin (sodium) 454.03 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |t:7| MLYYVTUWGNIJIB-BXKDBHETSA-N 33255 BRD-K27515606-311-02-8 cefcapene-pivoxil 0 88.76 Sigma MFCD01682041 "[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-3-{[(aminocarbonyl)oxy]methyl}-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride; hydrate" 567.146 CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:16| WVPAABNYMHNFJG-QDVBXLKVSA-N 5282438 BRD-K27515606-003-01-3 cefcapene-pivoxil 0 90.61 Astatech 83157 "(pivaloyloxy)methyl (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)pent-2-enamido)-3-((carbamoyloxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride" 567.146 CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:16| WVPAABNYMHNFJG-QDVBXLKVSA-N 5282438 BRD-K27515606-311-01-0 cefcapene-pivoxil 0 45.21 AKSci Q717 567.146 CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:16| WVPAABNYMHNFJG-QDVBXLKVSA-N 5282438 BRD-K15766189-001-09-8 cefdinir 0 86.04 MicroSource 1505208 CEFDINIR 395.036 Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19| RTXOFQZKPXMALH-GHXIOONMSA-N 6915944 BRD-K15766189-001-10-6 cefdinir 0 87.42 Selleck S1605 Cefdinir (Omnicef) 395.036 Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19| RTXOFQZKPXMALH-GHXIOONMSA-N 6915944 BRD-K15766189-001-08-0 cefdinir 0 80.71 Selleck S1605 Cefdinir 395.036 Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19| RTXOFQZKPXMALH-GHXIOONMSA-N 6915944 BRD-K72167406-001-04-7 cefditoren-pivoxil 0 74.37 MicroSource 1505360 CEFDITORIN PIVOXIL 620.118 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/c3scnc3C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:20| AFZFFLVORLEPPO-UVYJNCLZSA-N 6437877 BRD-A39056513-001-04-6 BRD-K72167406-001-02-1 cefditoren-pivoxil 0 88.24 Selleck S1768 Cefditoren pivoxil 620.118 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/c3scnc3C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:20| AFZFFLVORLEPPO-UVYJNCLZSA-N 6437877 BRD-K72167406-001-03-9 cefditoren-pivoxil 0 87.83 Selleck S1768 Cefditoren Pivoxil 620.118 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/c3scnc3C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:20| AFZFFLVORLEPPO-UVYJNCLZSA-N 6437877 BRD-K05878591-001-01-2 BRD-K72167406-001-06-9 cefditoren-pivoxil 0 90.31 MedChemEx HY-17452A Cefditoren (Pivoxil) 620.118 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/c3scnc3C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:20| AFZFFLVORLEPPO-UVYJNCLZSA-N 6437877 BRD-A12077521-003-01-5 cefepime 0 96.32 MicroSource 1502420 CEFEPIME HYDROCHLORIDE 481.133 "CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |&1:7,&2:8,c:19|" HVFLCNVBZFFHBT-FKULVZFESA-O 5464263 BRD-K27798832-001-01-5 cefetamet 0 91.04 Sigma MFCD00864836 "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" 397.051 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:12| MQLRYUCJDNBWMV-GHXIOONMSA-N 5487888 BRD-K27798832-001-02-9 cefetamet 0 94.12 Sigma MFCD00864836 "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" 397.051 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:12| MQLRYUCJDNBWMV-GHXIOONMSA-N 5487888 BRD-K21372554-001-01-1 cefetamet-pivoxil 0 0 AvaChem 2005 "[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 511.12 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:12| DASYMCLQENWCJG-XUKDPADISA-N 5486182 BRD-K21372554-003-01-7 cefetamet-pivoxil 0 80.7 AKSci H785 511.12 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:12| DASYMCLQENWCJG-XUKDPADISA-N 5486182 BRD-K21372554-003-02-5 cefetamet-pivoxil 0 87.11 MedChemEx HY-B1894A Cefetamet pivoxil (hydrochloride) 511.12 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 |c:12| DASYMCLQENWCJG-XUKDPADISA-N 5486182 BRD-K00003257-001-01-9 cefiderocol 0 62.5 MedChemEx HY-17628 Cefiderocol 752.158 [H][C@]12SCC(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C(O)=O |c:26| DBPPRLRVDVJOCL-FQRUVTKNSA-O 46195832 BRD-K71059170-341-02-5 cefixime 0 93.65 Sigma MFCD03788802 "(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]ethanoyl}amino)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trihydrate" 453.041 Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23| OKBVVJOGVLARMR-QSWIMTSFSA-N 5362065 BRD-K71059170-001-11-6 cefixime 0 76.71 Enzo AC3047 CEFIXIME 453.041 Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23| OKBVVJOGVLARMR-QSWIMTSFSA-N 5362065 BRD-K71059170-001-12-4 cefixime 0 89.67 MedChemEx HY-B1381 Cefixime 453.041 Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23| OKBVVJOGVLARMR-QSWIMTSFSA-N 5362065 BRD-K00003661-003-01-9 cefmenoxime 0 90.8 MedChemEx HY-B0875 Cefmenoxime (hydrochloride) 511.051 [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:13| HJJDBAOLQAWBMH-YCRCPZNHSA-N 9570757 BRD-K48470486-236-11-6 cefmetazole 0 89.48 MedChemEx HY-B1257 Cefmetazole (sodium) 471.045 CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |c:23| SNBUBQHDYVFSQF-HIFRSBDPSA-N 42008 BRD-K48470486-236-10-8 cefmetazole 0 0 MedChemEx HY-B1257 Cefmetazole (sodium) 471.045 CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |c:23| SNBUBQHDYVFSQF-HIFRSBDPSA-N 42008 BRD-K48470486-236-12-4 cefmetazole 0 0 MicroSource 1502040 CEFMETAZOLE SODIUM 471.045 CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |c:23| SNBUBQHDYVFSQF-HIFRSBDPSA-N 42008 BRD-A97040294-236-04-6 BRD-K77073709-435-01-2 cefminox 0 83.7 Key KS-1224 "sodium (6R,7S)-7-[({[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetyl)amino]-7-methoxy-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate" 519.066 CO[C@]1(NC(=O)CSC[C@@H](N)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |c:26| JSDXOWVAHXDYCU-VXSYNFHWSA-N 71141 BRD-K77073709-435-02-9 cefminox 0 43.8 Toronto c243100 cefminox sodium heptahydrate 519.066 CO[C@]1(NC(=O)CSC[C@@H](N)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |c:26| JSDXOWVAHXDYCU-VXSYNFHWSA-N 71141 BRD-K22641081-304-01-8 cefodizime 0 73.75 Kemprotec 69739-16-8 "disodium (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-3-({[4-methyl-5-(2-oxido-2-oxoethyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-;2-carboxylate" 584.028 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(C)c(CC(O)=O)s3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:24| XDZKBRJLTGRPSS-BGZQYGJUSA-N 5361871 BRD-K72150952-304-01-5 BRD-K22641081-001-01-0 cefodizime 0 57.47 AKSci K170 584.028 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(C)c(CC(O)=O)s3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:24| XDZKBRJLTGRPSS-BGZQYGJUSA-N 5361871 BRD-A42969929-001-01-9 BRD-K34058848-304-03-1 cefonicid 0 83.1 MicroSource 1505474 CEFONICID SODIUM 542.035 O[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3CS(O)(=O)=O)=C(N2C1=O)C(O)=O)c1ccccc1 |c:22| DYAIAHUQIPBDIP-AXAPSJFSSA-N 43594 BRD-A65872513-304-01-7 BRD-K34058848-304-02-3 cefonicid 0 58.8 MedChemEx HY-B1300 Cefonicid (sodium) 542.035 O[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3CS(O)(=O)=O)=C(N2C1=O)C(O)=O)c1ccccc1 |c:22| DYAIAHUQIPBDIP-AXAPSJFSSA-N 43594 BRD-K34058848-304-01-5 cefonicid 0 11 MedChemEx HY-B1300 Cefonicid (sodium) 542.035 O[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3CS(O)(=O)=O)=C(N2C1=O)C(O)=O)c1ccccc1 |c:22| DYAIAHUQIPBDIP-AXAPSJFSSA-N 43594 BRD-K02292852-001-06-9 cefoperazone 0 97.29 MedChemEx HY-B0210 Cefoperazone 645.142 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26| GCFBRXLSHGKWDP-XCGNWRKASA-N 44187 BRD-K02292852-001-04-7 cefoperazone 0 43.51 MicroSource 1502042 CEFOPERAZONE 645.142 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26| GCFBRXLSHGKWDP-XCGNWRKASA-N 44187 BRD-A73079885-001-01-1 BRD-K02292852-001-02-1 cefoperazone 0 95.7 Selleck S1611 Cefoperazone 645.142 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26| GCFBRXLSHGKWDP-XCGNWRKASA-N 44187 BRD-K37848908-001-06-4 ceforanide 0 0 MicroSource 1502423 CEFORANIDE 519.099 NCc1ccccc1CC(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(O)=O |c:29| SLAYUXIURFNXPG-CRAIPNDOSA-N 43507 BRD-A38738672-001-01-3 BRD-K37848908-001-05-6 ceforanide 0 90.8 AvaChem 2438 "(6R,7R)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetraazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" 519.099 NCc1ccccc1CC(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(O)=O |c:29| SLAYUXIURFNXPG-CRAIPNDOSA-N 43507 BRD-K72339976-065-03-9 cefoselis 0 99.54 Selleck S1371 Cefoselis sulfate 522.11 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Cn3ccc(=N)n3CCO)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:22| ZINFAXPQMLDEEJ-GFVOIPPFSA-N 9830520 BRD-K37910175-065-03-0 BRD-K72339976-065-01-3 cefoselis 0 96.68 MedChemEx HY-B0186B Cefoselis (sulfate) 522.11 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Cn3ccc(=N)n3CCO)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:22| ZINFAXPQMLDEEJ-GFVOIPPFSA-N 9830520 BRD-K72339976-065-04-7 cefoselis 0 90.77 AKSci O697 522.11 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Cn3ccc(=N)n3CCO)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:22| ZINFAXPQMLDEEJ-GFVOIPPFSA-N 9830520 BRD-K20284063-065-01-8 BRD-K72339976-065-02-1 cefoselis 0 83.64 Selleck S1371 Cefoselis Sulfate 522.11 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Cn3ccc(=N)n3CCO)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:22| ZINFAXPQMLDEEJ-GFVOIPPFSA-N 9830520 BRD-K02689172-065-01-8 BRD-K78364995-236-18-3 cefotaxime 0 95.77 MedChemEx HY-A0088 Cefotaxime (sodium salt) 455.057 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:16| GPRBEKHLDVQUJE-QSWIMTSFSA-N 5742673 BRD-K78364995-236-19-1 cefotaxime 0 66.74 MicroSource 1500165 CEFOTAXIME SODIUM 455.057 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:16| GPRBEKHLDVQUJE-QSWIMTSFSA-N 5742673 BRD-K99586414-236-04-9 BRD-K78364995-236-17-5 cefotaxime 0 43.81 MedChemEx HY-A0088 Cefotaxime (sodium salt) 455.057 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:16| GPRBEKHLDVQUJE-QSWIMTSFSA-N 5742673 BRD-K78364995-236-16-7 cefotaxime 0 65.5 Sigma MFCD00079073 "sodium (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 455.057 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:16| GPRBEKHLDVQUJE-QSWIMTSFSA-N 5742673 BRD-A78723049-001-01-2 cefotetan 0 88.4 MicroSource 1502424 CEFOTETAN 575.002 "CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |a:2,&1:17,c:30|" SRZNHPXWXCNNDU-IXOPCIAXSA-N BRD-K02275692-300-01-8 cefotiam 0 65.54 Prestwick Prestw-482 Cefotiam hydrochloride 525.104 CN(C)CCn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1csc(N)n1)C2=O)C(O)=O |t:13| QYQDKDWGWDOFFU-IUODEOHRSA-N 43708 BRD-K02275692-300-02-6 cefotiam 0 88.63 MedChemEx HY-B0734A Cefotiam (hydrochloride) 525.104 CN(C)CCn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1csc(N)n1)C2=O)C(O)=O |t:13| QYQDKDWGWDOFFU-IUODEOHRSA-N 43708 BRD-A76661185-300-02-4 cefotiam-cilexetil 0 22.36 SantaCruz sc-211042 695.198 "C[C@@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@H]2[C@@H](NC(=O)Cc3csc(N)n3)C(=O)N12 |&1:1,&2:31,&3:32,c:16|" VVFDMWZLBPUKTD-XLHILCRZSA-N BRD-A76661185-300-01-6 cefotiam-cilexetil 0 23.99 SantaCruz sc-211042 695.198 "C[C@@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@H]2[C@@H](NC(=O)Cc3csc(N)n3)C(=O)N12 |&1:1,&2:31,&3:32,c:16|" VVFDMWZLBPUKTD-XLHILCRZSA-N BRD-K70976396-236-27-8 cefoxitin 0 98.36 MedChemEx HY-B1117 Cefoxitin (sodium) 427.051 CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |c:21| WZOZEZRFJCJXNZ-ZBFHGGJFSA-N 441199 BRD-K70976396-236-25-2 cefoxitin 0 61.17 MicroSource 1502031 CEFOXITIN SODIUM 427.051 CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |c:21| WZOZEZRFJCJXNZ-ZBFHGGJFSA-N 441199 BRD-K70976396-236-26-0 cefoxitin 0 94.11 MedChemEx HY-B1117 Cefoxitin (sodium) 427.051 CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |c:21| WZOZEZRFJCJXNZ-ZBFHGGJFSA-N 441199 BRD-K46970505-003-02-9 cefozopran 0 88.69 MedChemEx HY-B0771A Cefozopran (hydrochloride) 516.087 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccn4ncccc34)=C(N2C1=O)C(O)=O)c1nsc(N)n1 |c:23| QDUIJCOKQCCXQY-WHJQOFBOSA-O 5491955 BRD-K46970505-003-01-9 cefozopran 0 90.83 MedChemEx HY-B0771A Cefozopran (hydrochloride) 516.087 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccn4ncccc34)=C(N2C1=O)C(O)=O)c1nsc(N)n1 |c:23| QDUIJCOKQCCXQY-WHJQOFBOSA-O 5491955 BRD-K92872987-001-02-9 cefpiramide 0 76.3 MicroSource 1503869 CEFPIRAMIDE 612.121 Cc1cc(=O)c(c[nH]1)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O)c1ccc(O)cc1 |c:29| PWAUCHMQEXVFJR-PMAPCBKXSA-N 636405 BRD-A39975020-001-01-9 BRD-K92872987-001-01-1 cefpiramide 0 86.38 Sigma MFCD00864893 "(6R,7R)-7-{[(2R)-2-{[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)ethanoyl]amino}-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-car" 612.121 Cc1cc(=O)c(c[nH]1)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O)c1ccc(O)cc1 |c:29| PWAUCHMQEXVFJR-PMAPCBKXSA-N 636405 BRD-K92872987-236-03-9 cefpiramide 0 61.86 MedChemEx HY-B0798 Cefpiramide (sodium) 612.121 Cc1cc(=O)c(c[nH]1)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O)c1ccc(O)cc1 |c:29| PWAUCHMQEXVFJR-PMAPCBKXSA-N 636405 BRD-K56542719-065-01-4 cefpirome 0 91.01 ChemImpex 15154 515.117 CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[n+]3cccc4CCCc34)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:23| DKOQGJHPHLTOJR-PUIFZAHNSA-O 6917675 BRD-A34205213-001-03-9 cefpodoxime 0 49.13 Key KS-1149 "1-[(isopropoxycarbonyl)oxy]ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 557.125 "COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC)\c1csc(N)n1)C2=O)C(=O)O[C@@H](C)OC(=O)OC(C)C |a:6,9,&1:28,t:3|" LTINZAODLRIQIX-OLEGMKQCSA-N 51546414 BRD-A34205213-001-04-7 cefpodoxime 0 48.22 MicroSource 1505637 CEFPODOXIME PROXETIL 557.125 "COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC)\c1csc(N)n1)C2=O)C(=O)O[C@@H](C)OC(=O)OC(C)C |a:6,9,&1:28,t:3|" LTINZAODLRIQIX-OLEGMKQCSA-N 51546414 BRD-A87387433-001-03-5 BRD-K24871708-001-01-4 cefprozil 0 44.09 MicroSource 1505364 CEFPROZIL 389.105 C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |t:3| WDLWHQDACQUCJR-ZAMMOSSLSA-N 5281006 BRD-A85137183-001-03-8 BRD-K24871708-002-03-8 cefprozil 0 56.44 Selleck S2544 Cefprozil hydrate (Cefzil) 389.105 C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |t:3| WDLWHQDACQUCJR-ZAMMOSSLSA-N 5281006 BRD-K24871708-002-04-6 cefprozil 0 76.4 MedChemEx HY-B0458 Cefprozil (monohydrate) 389.105 C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |t:3| WDLWHQDACQUCJR-ZAMMOSSLSA-N 5281006 BRD-K24871708-002-02-0 cefprozil 0 43.83 Selleck S2544 Cefprozil hydrate (Cefzil) 389.105 C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |t:3| WDLWHQDACQUCJR-ZAMMOSSLSA-N 5281006 BRD-K13797099-001-02-9 cefradine 0 65.46 MedChemEx HY-B1156 Cefradine 349.11 "CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |c:17,t:1,14|" RDLPVSKMFDYCOR-UEKVPHQBSA-N 40467109 BRD-K13797099-001-01-1 cefradine 0 13.45 MedChemEx HY-B1156 Cefradine 349.11 "CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |c:17,t:1,14|" RDLPVSKMFDYCOR-UEKVPHQBSA-N 40467109 BRD-K13797099-001-03-9 cefradine 0 29.8 MedChemEx HY-B1156 Cefradine 349.11 "CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |c:17,t:1,14|" RDLPVSKMFDYCOR-UEKVPHQBSA-N 40467109 BRD-K03907181-236-06-8 cefsulodin 0 0 MedChemEx HY-13588 Cefsulodin (sodium) 533.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| SYLKGLMBLAAGSC-QLVMHMETSA-O 656576 BRD-K03907181-236-05-0 cefsulodin 0 0 MedChemEx HY-13588 Cefsulodin (sodium) 533.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| SYLKGLMBLAAGSC-QLVMHMETSA-O 656576 BRD-K03907181-236-04-3 cefsulodin 0 0 Sigma MFCD07793338 "sodium (6R,7R)-3-{[4-(aminocarbonyl)-1-pyridiniumyl]methyl}-8-oxo-7-{[(2R)-2-phenyl-2-sulfonatoethanoyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 533.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| SYLKGLMBLAAGSC-QLVMHMETSA-O 656576 BRD-K03907181-236-07-6 cefsulodin 0 29.68 MicroSource 1502029 CEFSULODIN SODIUM 533.08 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| SYLKGLMBLAAGSC-QLVMHMETSA-O 656576 BRD-A86462796-236-04-8 BRD-K37252028-349-01-8 ceftaroline-fosamil 0 63.93 GLSyntech JN-0957 "4-(2-(((6R,7R)-2-carboxy-7-((E)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)thio)thiazol-4-yl)-1-methylpyridin-1-ium acetate hy;drate" 685.018 CCO\N=C(\C(=O)N[C@H]1[C@H]2SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N2C1=O)C(O)=O)c1nc(=NP(O)(O)=O)s[nH]1 |c:27| ZCCUWMICIWSJIX-XHNDKCDBSA-O 10033059 BRD-K52117081-345-03-1 ceftazidime 0 47 Sigma MFCD00153936 "(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-8-oxo-3-(1-pyridiniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate" 547.107 CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |c:21| ORFOPKXBNMVMKC-DWVKKRMSSA-O 6321415 BRD-K52117081-001-03-0 ceftazidime 0 74 MedChemEx HY-B0593 Ceftazidime 547.107 CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |c:21| ORFOPKXBNMVMKC-DWVKKRMSSA-O 6321415 BRD-K52117081-396-01-8 ceftazidime 0 0 MicroSource 1505782 CEFTAZIDIME 547.107 CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |c:21| ORFOPKXBNMVMKC-DWVKKRMSSA-O 6321415 BRD-A73933229-396-01-8 BRD-K52117081-001-02-2 ceftazidime 0 0 MedChemEx HY-B0593 Ceftazidime 547.107 CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |c:21| ORFOPKXBNMVMKC-DWVKKRMSSA-O 6321415 BRD-K52117081-345-04-9 ceftazidime 0 78.15 Selleck S4314 547.107 CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |c:21| ORFOPKXBNMVMKC-DWVKKRMSSA-O 6321415 BRD-K11124378-001-04-6 ceftibuten 0 78.69 MicroSource 1505207 CEFTIBUTEN 410.035 Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |c:20| UNJFKXSSGBWRBZ-BJCIPQKHSA-N 5282242 BRD-K11124378-335-03-0 ceftibuten 0 55.48 MedChemEx HY-B0698A Ceftibuten (dihydrate) 410.035 Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |c:20| UNJFKXSSGBWRBZ-BJCIPQKHSA-N 5282242 BRD-K11124378-335-01-4 ceftibuten 0 44 MedChemEx HY-B0698A "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxy-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate" 410.035 Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |c:20| UNJFKXSSGBWRBZ-BJCIPQKHSA-N 5282242 BRD-K11124378-335-02-2 ceftibuten 0 78.41 MedChemEx HY-B0698A Ceftibuten (dihydrate) 410.035 Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |c:20| UNJFKXSSGBWRBZ-BJCIPQKHSA-N 5282242 BRD-K11124378-002-01-0 ceftibuten 0 95.4 Sigma MFCD20488049 "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxy-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate" 410.035 Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |c:20| UNJFKXSSGBWRBZ-BJCIPQKHSA-N 5282242 BRD-K82960980-003-01-9 ceftiofur 0 91.98 MicroSource 1504832 CEFTIOFUR HYDROCHLORIDE 523.029 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:21| ZBHXIWJRIFEVQY-IHMPYVIRSA-N 6328657 BRD-K75097379-003-01-8 BRD-K82960980-236-05-9 ceftiofur 0 79.64 MedChemEx HY-B0898 Ceftiofur (sodium) 523.029 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:21| ZBHXIWJRIFEVQY-IHMPYVIRSA-N 6328657 BRD-K82960980-003-03-5 ceftiofur 0 88.46 Selleck S2543 Ceftiofur HCl 523.029 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:21| ZBHXIWJRIFEVQY-IHMPYVIRSA-N 6328657 BRD-K15436267-003-01-6 BRD-K82960980-003-02-7 ceftiofur 0 93.8 Selleck S2543 Ceftiofur hydrochloride 523.029 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:21| ZBHXIWJRIFEVQY-IHMPYVIRSA-N 6328657 BRD-K21017401-003-02-1 BRD-K04301924-236-03-2 ceftizoxim 0 88.85 MedChemEx HY-B1596A Ceftizoxime (sodium) 383.036 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:11| NNULBSISHYWZJU-LLKWHZGFSA-N 6533629 BRD-K04301924-236-01-6 ceftizoxim 0 40.24 Enzo AC3053 CEFTIZOXIM SODIUM 383.036 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:11| NNULBSISHYWZJU-LLKWHZGFSA-N 6533629 BRD-K04301924-236-02-4 ceftizoxim 0 53.23 MedChemEx HY-B1596A Ceftizoxime (sodium) 383.036 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:11| NNULBSISHYWZJU-LLKWHZGFSA-N 6533629 BRD-K00003117-001-01-9 ceftobiprole 0 79 MedChemEx HY-112579 Ceftobiprole 534.11 [H][C@]12SCC(\C=C3/CCN([C@@H]4CCNC4)C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\c1nsc(N)n1)C(O)=O |c:18| VOAZJEPQLGBXGO-SDAWRPRTSA-N 138319339 BRD-K96734425-324-01-5 ceftriaxone 0 64.12 MicroSource 1503111 CEFTRIAXONE SODIUM TRIHYDRATE 554.046 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(O)nn3C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:23| VAAUVRVFOQPIGI-SPQHTLEESA-N 5479530 BRD-K38010979-324-03-7 BRD-K96734425-304-01-7 ceftriaxone 0 85.48 MedChemEx HY-B0712B Ceftriaxone (sodium salt) 554.046 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(O)nn3C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:23| VAAUVRVFOQPIGI-SPQHTLEESA-N 5479530 BRD-K02733959-236-06-9 cefuroxime 0 86.53 MedChemEx HY-B1256 Cefuroxime (sodium) 424.069 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |c:16| JFPVXVDWJQMJEE-IZRZKJBUSA-N 5479529 BRD-K02733959-236-07-7 cefuroxime 0 82.75 MicroSource 1502033 CEFUROXIME SODIUM 424.069 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |c:16| JFPVXVDWJQMJEE-IZRZKJBUSA-N 5479529 BRD-A76746748-236-04-5 BRD-K02733959-236-05-1 cefuroxime 0 77.86 MedChemEx HY-B1256 Cefuroxime (sodium) 424.069 CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |c:16| JFPVXVDWJQMJEE-IZRZKJBUSA-N 5479529 BRD-A22303829-001-01-6 cefuroxime-axetil 0 56.52 Sigma A4237 "1-(acetyloxy)ethyl (6R,7R)-3-{[(aminocarbonyl)oxy]methyl}-7-{[(2Z)-2-(2-furyl)-2-(methoxyimino)ethanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" 510.106 "CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)O[C@@H](C)OC(C)=O)c1ccco1 |a:7,8,&1:24,c:16|" KEJCWVGMRLCZQQ-QFDKGRJDSA-N 9806360 BRD-A22303829-001-02-4 cefuroxime-axetil 0 36.9 MicroSource 1504175 CEFUROXIME AXETIL 510.106 "CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)O[C@@H](C)OC(C)=O)c1ccco1 |a:7,8,&1:24,c:16|" KEJCWVGMRLCZQQ-QFDKGRJDSA-N 9806360 BRD-A36322567-001-02-4 BRD-A22303829-001-03-9 cefuroxime-axetil 0 53.54 Sigma MFCD00864991 Cefuroxime Axetil 510.106 "CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)O[C@@H](C)OC(C)=O)c1ccco1 |a:7,8,&1:24,c:16|" KEJCWVGMRLCZQQ-QFDKGRJDSA-N 9806360 BRD-K02637541-001-22-2 celecoxib 0 95.12 Tocris 3786 Celecoxib 381.076 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F RZEKVGVHFLEQIL-UHFFFAOYSA-N 2662 BRD-K02637541-001-18-0 celecoxib 0 99.47 MicroSource 1503678 CELECOXIB 381.076 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F RZEKVGVHFLEQIL-UHFFFAOYSA-N 2662 BRD-K02637541-001-17-2 celecoxib 0 98.44 Selleck S1261 Celecoxib 381.076 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F RZEKVGVHFLEQIL-UHFFFAOYSA-N 2662 BRD-K00003204-003-01-9 celgosivir 0 98.4 MedChemEx HY-16134A Celgosivir (hydrochloride) 259.142 [H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O HTJGLYIJVSDQAE-VWNXEWBOSA-N 60734 BRD-A95602221-003-02-1 celiprolol 0 97.27 Prestwick Prestw-1132 Celiprolol hydrochloride 379.247 CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(c1)C(C)=O |&1:14| JOATXPAWOHTVSZ-INIZCTEOSA-N 11406333 BRD-A95602221-003-03-9 celiprolol 0 WuXi EW21509-19-P1 Celiprolol hydrochloride 379.247 CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(c1)C(C)=O |&1:14| JOATXPAWOHTVSZ-INIZCTEOSA-N 11406333 BRD-K00003248-001-01-9 cenerimod 0 90.19 MedChemEx HY-17606 Cenerimod 453.226 CCc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCC1 KJKKMMMRWISKRF-FQEVSTJZSA-N 49871973 BRD-K00003181-001-01-9 cenicriviroc 0 78.24 MedChemEx HY-14882 Cenicriviroc 696.371 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC |c:27| PNDKCRDVVKJPKG-WHERJAGFSA-N 11285792 BRD-K00003249-001-01-9 cenobamate 0 100 MedChemEx HY-17607 Cenobamate 267.052 NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl GFHAXPJGXSQLPT-VIFPVBQESA-N 11962412 BRD-K00004588-001-01-9 centanafadine 0 97.44 AMS SY247368 "(1R,5S)-1-(2-Naphthyl)-3-azabicyclo[3.1.0]hexane" 209.12 C1[C@@H]2CNC[C@]12c1ccc2ccccc2c1 HKHCSWPSUSWGLI-CABCVRRESA-N 16095349 BRD-K31329721-001-08-2 centazolone 0 95.67 Enamine Z56813658 3-aminobenzo[g]quinazolin-4(3H)-one 211.075 Nn1cnc2cc3ccccc3cc2c1=O CZXUQBVMAUWSBX-UHFFFAOYSA-N 72846 BRD-K00004619-001-01-9 centhaquin 0 96.94 Sigma SML1786 2-{2-[4-(3-methylphenyl)-1-piperazinyl]ethyl}quinoline 331.205 Cc1cccc(c1)N1CCN(CCc2ccc3ccccc3n2)CC1 UJNWGFBJUHIJKK-UHFFFAOYSA-N 162163 BRD-A28958257-001-02-0 centpropazine 0 95.61 Enamine Z31370920 1-{4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl}-1-propanone 368.21 "CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccccc2)cc1 |&1:10,r|" ZQPXSRTZFYHSFB-FQEVSTJZSA-N 7032530 BRD-A28958257-001-01-2 centpropazine 0 90.58 Enamine Z31370920 368.21 "CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccccc2)cc1 |&1:10,r|" ZQPXSRTZFYHSFB-FQEVSTJZSA-N 7032530 BRD-K20722021-001-02-1 CEP-32496 0 97.13 Selleck S8015 CEP-32496 517.157 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC DKNUPRMJNUQNHR-UHFFFAOYSA-N 56846693 BRD-K20722021-001-03-9 CEP-32496 0 98.02 MedChemEx HY-15200 Agerafenib 517.157 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC DKNUPRMJNUQNHR-UHFFFAOYSA-N 56846693 BRD-K37237504-001-02-7 CEP-33779 0 82.13 Selleck S2806 CEP-33779 462.184 CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 RFZKSQIFOZZIAQ-UHFFFAOYSA-N 57336812 BRD-K37237504-001-03-5 CEP-33779 0 87.81 Selleck S2806 CEP33779 462.184 CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 RFZKSQIFOZZIAQ-UHFFFAOYSA-N 57336812 BRD-K37237504-001-04-9 CEP-33779 0 96.93 MedChemEx HY-15343 CEP-33779 462.184 CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 RFZKSQIFOZZIAQ-UHFFFAOYSA-N 57336812 BRD-K72827473-001-01-0 CEP-37440 0 97.19 MedChemEx HY-15841 CEP-37440 579.272 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl BCSHRERPHLTPEE-NRFANRHFSA-N 71721648 BRD-K72827473-001-02-8 CEP-37440 0 MedChemEx HY-15841 CEP-37440 579.272 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl "InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1" 71721648 BRD-K00003396-001-01-9 CEP-40783 0 96.21 MedChemEx HY-100946 CEP-40783 588.182 COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC FKCWHHYUMFGOPY-UHFFFAOYSA-N 71576419 BRD-K90733503-001-08-7 cephalexin 0 75.26 MedChemEx HY-B0200 Cephalexin 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-K90733503-001-07-9 cephalexin 0 4.38 MedChemEx HY-B0200 Cephalexin 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-K90733503-001-06-1 cephalexin 0 22.1 Sigma MFCD00056877 "(6R,7R)-7-{[(2R)-2-amino-2-phenylethanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-K90733503-001-10-3 cephalexin 0 45.91 MicroSource 1502028 CEPHALEXIN 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-A37536726-001-04-2 BRD-K90733503-001-09-5 cephalexin 0 0 Selleck S1502 Cephalexin 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-K64997193-001-01-0 BRD-K90733503-001-05-3 cephalexin 0 0 Selleck S1502 Cephalexin (Cefalexin) 347.094 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |t:1| ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 6560168 BRD-K68904758-001-04-3 cephalomannine 0 94.06 MedChemEx HY-77554 Cephalomannine 831.347 C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47| DBXFAPJCZABTDR-WBYYIXQISA-N 6436208 BRD-A70157906-001-01-3 BRD-K68904758-001-02-7 cephalomannine 0 84.34 Selleck S2408 Cephalomannine 831.347 C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47| DBXFAPJCZABTDR-WBYYIXQISA-N 6436208 BRD-K68904758-001-03-5 cephalomannine 0 76.79 Selleck S2408 Cephalomannine 831.347 C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47| DBXFAPJCZABTDR-WBYYIXQISA-N 6436208 BRD-K99571587-001-01-6 BRD-K00025564-001-01-9 cephalosporin-c-zn 0 0 CombiBlocks QP-8626 "[(3R,9S,19R)-9-amino-2,5,10,14-tetraoxo-11,13-dioxa-18-thia-1,4-diaza-12?2-zincatricyclo[13.4.0.03,19]nonadec-15-en-16-yl]methyl acetate" 477.018 CC(=O)OCC1=C2N3[C@H](SC1)[C@H](NC(=O)CCC[C@H](N)C(=O)O[Zn]OC2=O)C3=O |t:5| TVMXJQZBKOMFQK-JFEXGKLBSA-L BRD-K28210218-236-08-1 cephalothin 0 92.86 MicroSource 1500166 CEPHALOTHIN SODIUM 396.045 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5| XIURVHNZVLADCM-IUODEOHRSA-N 6024 BRD-K28210218-236-09-9 cephalothin 0 82.68 MedChemEx HY-B1275 Cephalothin (sodium) 396.045 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5| XIURVHNZVLADCM-IUODEOHRSA-N 6024 BRD-K49880111-236-09-2 cephapirin 0 85.45 MicroSource 1500167 CEPHAPIRIN SODIUM 423.056 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C(O)=O |t:5| UQLLWWBDSUHNEB-CZUORRHYSA-N 30699 BRD-K49880111-236-10-0 cephapirin 0 65.4 Selleck S4393 Cephapirin Sodium 423.056 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C(O)=O |t:5| UQLLWWBDSUHNEB-CZUORRHYSA-N 30699 BRD-K25085912-236-01-4 BRD-K49880111-236-11-8 cephapirin 0 88.36 Selleck S4393 CEPHAPIRIN SODIUM 423.056 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C(O)=O |t:5| UQLLWWBDSUHNEB-CZUORRHYSA-N 30699 BRD-K96194081-001-10-2 cepharanthine 0 85.41 MicroSource 1505322 CEPHARANTHINE 606.273 COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 YVPXVXANRNDGTA-WDYNHAJCSA-N 10206 BRD-K96194081-001-12-8 cepharanthine 0 1 Selleck S4238 Cepharanthine 606.273 COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 YVPXVXANRNDGTA-WDYNHAJCSA-N 10206 BRD-K78936063-001-01-9 BRD-K96194081-001-13-6 cepharanthine 0 98.07 Selleck S4238 CEPHARANTHINE 606.273 COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 YVPXVXANRNDGTA-WDYNHAJCSA-N 10206 BRD-K96194081-001-11-0 cepharanthine 0 95.81 Selleck S4238 Cepharanthine 606.273 COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 YVPXVXANRNDGTA-WDYNHAJCSA-N 10206 BRD-A90807417-001-04-5 cephradine 0 5.47 MicroSource 1500168 CEPHRADINE 349.11 "CC1=C(N2[C@@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |a:7,11,&1:4,c:17,t:1,14|" RDLPVSKMFDYCOR-HFAKWTLXSA-N 12876371 BRD-K41707108-001-05-6 ceramide 0 100 Tocris 744 Ceramide 341.293 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(C)=O BLTCBVOJNNKFKC-QUDYQQOWSA-N 5497136 BRD-K22149900-001-06-2 ceritinib 0 88.37 MedChemEx HY-15656 LDK378 557.223 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 VERWOWGGCGHDQE-UHFFFAOYSA-N 57379345 BRD-K22149900-001-05-4 ceritinib 0 95.17 MedChemEx HY-15656 LDK378 557.223 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 VERWOWGGCGHDQE-UHFFFAOYSA-N 57379345 BRD-K22149900-001-03-9 ceritinib 0 95.07 Selleck S7083 Ceritinib (LDK378) 557.223 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 VERWOWGGCGHDQE-UHFFFAOYSA-N 57379345 BRD-K22149900-001-01-3 ceritinib 0 38.5 Selleck S7083 LDK378 557.223 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 VERWOWGGCGHDQE-UHFFFAOYSA-N 57379345 BRD-K52075040-001-09-7 cerulenin 0 41.25 Enzo G237 Cerulenin 223.121 C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O GVEZIHKRYBHEFX-NQQPLRFYSA-N 5282054 BRD-K00003320-001-01-9 ceruletide 0 93.01 MedChemEx HY-A0190 Ceruletide 1351.449 [H][C@](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O YRALAIOMGQZKOW-HYAOXDFASA-N 16129675 BRD-K86954340-001-01-7 cetaben 0 55.82 Adooq A11137 4-(hexadecylamino)benzoic acid 361.298 CCCCCCCCCCCCCCCCNc1ccc(cc1)C(O)=O QXWKHSSBFQDQPR-UHFFFAOYSA-N 47263 BRD-K94863486-001-02-2 cetilistat 0 0 Key KS-1251 "2-(hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one" 401.293 CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1 MVCQKIKWYUURMU-UHFFFAOYSA-N 9952916 BRD-K94863486-001-01-4 cetilistat 0 17.4 TCI C2745 401.293 CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1 MVCQKIKWYUURMU-UHFFFAOYSA-N 9952916 BRD-K01826520-300-10-9 cetirizine 0 98.06 Tocris 2577 Cetirizine dihydrochloride 460.109 OC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:13| ZKLPARSLTMPFCP-NRFANRHFSA-N 28145930 BRD-K01826520-300-11-9 cetirizine 0 97.14 MicroSource 1505371 CETIRIZINE HYDROCHLORIDE 460.109 OC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:13| ZKLPARSLTMPFCP-NRFANRHFSA-N 28145930 BRD-K01826520-300-12-9 cetirizine 0 96.66 Selleck S1291 Cetirizine DiHCl 460.109 OC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:13| ZKLPARSLTMPFCP-NRFANRHFSA-N 28145930 BRD-K47079459-004-14-9 cetrimonium 0 97.8 MedChemEx HY-B1260 Cetrimonium (bromide) 284.332 CCCCCCCCCCCCCCCC[N+](C)(C)C RLGQACBPNDBWTB-UHFFFAOYSA-N 2681 BRD-K47079459-004-04-6 cetrimonium 0 100 Selleck S4242 Cetrimonium Bromide (CTAB) 284.332 CCCCCCCCCCCCCCCC[N+](C)(C)C RLGQACBPNDBWTB-UHFFFAOYSA-N 2681 BRD-K47079459-004-05-3 cetrimonium 0 98.91 MicroSource 1503200 CETRIMONIUM BROMIDE 284.332 CCCCCCCCCCCCCCCC[N+](C)(C)C RLGQACBPNDBWTB-UHFFFAOYSA-N 2681 BRD-K76315403-015-02-5 cetrorelix 0 98.03 Sigma MFCD08459466 (S)-1-(((R)-2-((S)-2-((S)-2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanam;ido)-5-ureidopentanoyl)-L-leucyl-L-arginyl)-N-((R)-1-a 1429.67 CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O SBNPWPIBESPSIF-MHWMIDJBSA-N 25074887 BRD-K76315403-015-03-9 cetrorelix 0 94.5 MedChemEx HY-P0009A Cetrorelix (Acetate) 1429.67 CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O SBNPWPIBESPSIF-MHWMIDJBSA-N 25074887 BRD-K87700323-003-05-1 cetylpyridinium 0 97.23 MicroSource 1500169 CETYLPYRIDINIUM CHLORIDE 304.3 CCCCCCCCCCCCCCCC[n+]1ccccc1 NEUSVAOJNUQRTM-UHFFFAOYSA-N 2683 BRD-K87700323-311-08-9 cetylpyridinium 0 90.42 MedChemEx HY-B1289 Cetylpyridinium (chloride monohydrate) 304.3 CCCCCCCCCCCCCCCC[n+]1ccccc1 NEUSVAOJNUQRTM-UHFFFAOYSA-N 2683 BRD-K87700323-003-04-4 cetylpyridinium 0 87.01 Selleck S4172 Cetylpyridinium Chloride 304.3 CCCCCCCCCCCCCCCC[n+]1ccccc1 NEUSVAOJNUQRTM-UHFFFAOYSA-N 2683 BRD-K87700323-003-06-9 cetylpyridinium 0 98.97 Selleck S4172 Cetylpyridinium Chloride 304.3 CCCCCCCCCCCCCCCC[n+]1ccccc1 NEUSVAOJNUQRTM-UHFFFAOYSA-N 2683 BRD-K00004291-003-01-9 cevimeline 0 100 Tocris 3689 Cevimeline hydrochloride 199.103 "C[C@H]1O[C@]2(CS1)CN1CCC2CC1 |&1:1,3|" WUTYZMFRCNBCHQ-WPRPVWTQSA-N 18642481 BRD-K00003570-001-01-9 cevipabulin 0 91.03 MedChemEx HY-14949 Cevipabulin 464.115 [H][C@@](C)(Nc1c(c(Cl)nc2ncnn12)-c1c(F)cc(OCCCNC)cc1F)C(F)(F)F ZUZPCOQWSYNWLU-VIFPVBQESA-N 11488110 BRD-K52396582-001-07-9 CF102 0 95 Tocris 1104 2-Cl-IB-MECA 544.012 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 3035850 BRD-K52396582-001-06-7 CF102 0 98.78 Tocris 1104 2-Cl-IB-MECA 544.012 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 3035850 BRD-K27040396-051-02-9 CFI-400945 0 95.21 MedChemEx HY-12300B CFI-400945 (fumarate) 534.263 COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)[nH]nc4c3)c2c1 DADASRPKWOGKCU-FVTQAUBDSA-N 58486178 BRD-K00003409-001-01-9 CFI-402257 0 95.05 MedChemEx HY-101340 CFI-402257 498.238 Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r| PMQUGSPFUBGJCZ-CHOKWEPUSA-N BRD-K64341947-003-03-2 CFM-1571 0 95.4 Tocris 2586 CFM 1571 hydrochloride 408.216 COc1ccc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)cc1 YZCSJBGQLATPMH-UHFFFAOYSA-N 9844347 BRD-K64341947-003-02-4 CFM-1571 0 93.91 Tocris 2586 CFM 1571 hydrochloride 408.216 COc1ccc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)cc1 YZCSJBGQLATPMH-UHFFFAOYSA-N 9844347 BRD-K42859542-001-04-9 CFM-2 0 89.34 Tocris 1082 CFM-2 311.127 COc1cc2CC(=O)NN=C(c3ccc(N)cc3)c2cc1OC |t:9| MJKADKZSYQWGLL-UHFFFAOYSA-N 4377504 BRD-K42859542-001-03-3 CFM-2 0 89.65 Tocris 1082 CFM-2 311.127 COc1cc2CC(=O)NN=C(c3ccc(N)cc3)c2cc1OC |t:9| MJKADKZSYQWGLL-UHFFFAOYSA-N 4377504 BRD-K72004355-001-03-5 CFTRinh-172 0 79.6 Tocris 3430 CFTRinh 172 409.005 OC(=O)c1ccc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 JIMHYXZZCWVCMI-RIYZIHGNSA-N 1554210 BRD-K72004355-001-02-7 CFTRinh-172 0 90.02 Tocris 3430 CFTRinh 172 409.005 OC(=O)c1ccc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 JIMHYXZZCWVCMI-RIYZIHGNSA-N 1554210 BRD-K72004355-001-04-9 CFTRinh-172 0 90.32 Tocris 3430 CFTRinh 172 409.005 OC(=O)c1ccc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 JIMHYXZZCWVCMI-RIYZIHGNSA-N 1554210 BRD-K72004355-001-01-9 CFTRinh-172 0 90.25 Selleck S7139 CFTRinh-172 409.005 OC(=O)c1ccc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 JIMHYXZZCWVCMI-RIYZIHGNSA-N 1554210 BRD-K48888725-001-02-7 CG-400549 0 95.34 Astatech 52038 1-(3-amino-2-methylbenzyl)-4-[2-(2-thienyl)ethoxy]-2(1H)-pyridinone 340.125 Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O YCLREGRRHGLOAK-UHFFFAOYSA-N 11844916 BRD-K48888725-001-01-9 CG-400549 0 84.19 Astatech 52038 1-(3-AMINO-2-METHYL-BENZYL)-4-(2-THIOPHEN-2-YL-ETHOXY)-2-PYRIDONE 340.125 Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O YCLREGRRHGLOAK-UHFFFAOYSA-N 11844916 BRD-K82028950-300-03-7 CGH2466 0 94.17 Tocris 2344 "4-(3,4-dichlorophenyl)-5-(4-pyridinyl)-1,3-thiazol-2-amine dihydrochloride" 320.989 Nc1nc(c(s1)-c1ccncc1)-c1ccc(Cl)c(Cl)c1 BEPGKLOHQTXUHX-UHFFFAOYSA-N 5282339 BRD-K82028950-300-02-9 CGH2466 0 82.59 Tocris 2344 CGH 2466 dihydrochloride 320.989 Nc1nc(c(s1)-c1ccncc1)-c1ccc(Cl)c(Cl)c1 BEPGKLOHQTXUHX-UHFFFAOYSA-N 5282339 BRD-A50737080-001-03-0 CGK-733 0 88.69 Tocris 2639 CGK 733 554.015 "[O-][N+](=O)c1cc(NC(=S)N[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F |&1:10,r|" HLCDNLNLQNYZTK-OAQYLSRUSA-N 92509770 BRD-A50737080-001-07-9 CGK-733 0 96.41 Tocris 2639 CGK 733 554.015 "[O-][N+](=O)c1cc(NC(=S)N[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F |&1:10,r|" HLCDNLNLQNYZTK-OAQYLSRUSA-N 92509770 BRD-A50737080-001-06-3 CGK-733 0 86.81 Tocris 2639 CGK 733 554.015 "[O-][N+](=O)c1cc(NC(=S)N[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F |&1:10,r|" HLCDNLNLQNYZTK-OAQYLSRUSA-N 92509770 BRD-A50737080-001-02-2 CGK-733 0 83.18 Selleck S7136 CGK 733 554.015 "[O-][N+](=O)c1cc(NC(=S)N[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F |&1:10,r|" HLCDNLNLQNYZTK-OAQYLSRUSA-N 92509770 BRD-A50737080-001-05-5 CGK-733 0 97.37 Selleck S7136 CGK 733 554.015 "[O-][N+](=O)c1cc(NC(=S)N[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F |&1:10,r|" HLCDNLNLQNYZTK-OAQYLSRUSA-N 92509770 BRD-K79584249-001-02-1 CGM097 0 92.76 MedChemEx HY-15954 NVP-CGM097 658.329 COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 CLRSLRWKONPSRQ-IIPSPAQQSA-N BRD-K79584249-001-01-3 CGM097 0 85.96 MedChemEx HY-15954 NVP-CGM097 658.329 COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 CLRSLRWKONPSRQ-IIPSPAQQSA-N BRD-A40084411-003-09-9 CGP-12177 0 96.22 Tocris 1134 CGP 12177 hydrochloride 279.158 CC(C)(C)NC[C@@H](O)COc1cccc2[nH]c(=O)[nH]c12 |&1:6| UMQUQWCJKFOUGV-SECBINFHSA-N 76962943 BRD-A40084411-003-07-7 CGP-12177 0 96.6 Tocris 1134 CGP 12177 hydrochloride 279.158 CC(C)(C)NC[C@@H](O)COc1cccc2[nH]c(=O)[nH]c12 |&1:6| UMQUQWCJKFOUGV-SECBINFHSA-N 76962943 BRD-K95851186-001-08-9 CGP-13501 0 93.42 Tocris 1514 CGP 13501 290.225 CC(C)(C)c1cc(CC(C)(C)C=O)cc(c1O)C(C)(C)C XGWATTXMMMANFJ-UHFFFAOYSA-N 3519541 BRD-K95851186-001-07-8 CGP-13501 0 91.07 Tocris 1514 CGP 13501 290.225 CC(C)(C)c1cc(CC(C)(C)C=O)cc(c1O)C(C)(C)C XGWATTXMMMANFJ-UHFFFAOYSA-N 3519541 BRD-K01827291-066-05-9 CGP-20712A 0 97.65 Sigma C231 2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}propyl)amino]ethoxy}benzamide methanesulfonate 590.166 "CS(O)(=O)=O.Cn1cc(nc1-c1ccc(OC[C@H](O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F |&1:17,r|" VFPOVCXWKBYDNF-XFULWGLBSA-N 91667713 BRD-K00003372-003-01-9 CGP-25454A 0 97.68 MedChemEx HY-100454 CGP 25454A 309.124 CCN(CC)CCNC(=O)c1cc(C#N)c(Cl)cc1OC JEMKCYHUYUPGFN-UHFFFAOYSA-N 9819591 BRD-A35623999-001-06-5 CGP-37157 0 99.02 Tocris 1114 CGP 37157 322.994 "Clc1ccc2NC(=O)CS[C@@H](c3ccccc3Cl)c2c1 |&1:10,r|" KQEPIRKXSUIUTH-HNNXBMFYSA-N 6604821 BRD-A35623999-001-07-9 CGP-37157 0 97.24 Tocris 1114 CGP 37157 322.994 "Clc1ccc2NC(=O)CS[C@@H](c3ccccc3Cl)c2c1 |&1:10,r|" KQEPIRKXSUIUTH-HNNXBMFYSA-N 6604821 BRD-A35623999-001-05-7 CGP-37157 0 99.24 Tocris 1114 CGP 37157 322.994 "Clc1ccc2NC(=O)CS[C@@H](c3ccccc3Cl)c2c1 |&1:10,r|" KQEPIRKXSUIUTH-HNNXBMFYSA-N 6604821 BRD-A90272038-001-02-5 CGP-37849 1 0 Tocris 1469 (3E)-2-amino-4-methyl-5-phosphono-3-pentenoic acid 209.045 "C\C(CP(O)(O)=O)=C/[C@@H](N)C(O)=O |&1:8,r|" BDYHNCZIGYIOGJ-XWCPEMDWSA-N 6604869 BRD-A90272038-001-01-7 CGP-37849 1 0 EMDBio 504842-10MG CGP 37849 209.045 "C\C(CP(O)(O)=O)=C/[C@@H](N)C(O)=O |&1:8,r|" BDYHNCZIGYIOGJ-XWCPEMDWSA-N 6604869 BRD-K00004626-001-01-9 CGP-39551 0 0 Sigma SML0058 (2E)-4-amino-5-ethoxy-2-methyl-5-oxo-2-pentenylphosphonic acid 237.077 "CCOC(=O)[C@H](N)\C=C(/C)CP(O)(O)=O |&1:5,r|" OKDOWCKDTWNRCB-PTYLAXBQSA-N 6438792 BRD-K13087974-001-03-3 CGP-52411 0 94.09 Tocris 3360 CGP 52411 329.116 O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 AAALVYBICLMAMA-UHFFFAOYSA-N 1697 BRD-K13087974-001-02-5 CGP-52411 0 94.94 Tocris 3360 CGP 52411 329.116 O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 AAALVYBICLMAMA-UHFFFAOYSA-N 1697 BRD-K32292990-001-03-6 CGP-53353 0 94.62 Tocris 2442 CGP 53353 365.098 Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1 RONQPWQYDRPRGG-UHFFFAOYSA-N 6711154 BRD-K32292990-001-04-4 CGP-53353 0 91.48 Tocris 2442 CGP 53353 365.098 Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1 RONQPWQYDRPRGG-UHFFFAOYSA-N 6711154 BRD-A74208568-003-02-3 CGP-54626 0 89.91 Tocris 1088 CGP 54626 hydrochloride 407.118 "C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 |a:1,4,&1:7|" JGGVBBYJRQOPPA-BBRMVZONSA-N 197584 BRD-A74208568-003-04-9 CGP-54626 0 87.89 Tocris 1088 CGP 54626 hydrochloride 407.118 "C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 |a:1,4,&1:7|" JGGVBBYJRQOPPA-BBRMVZONSA-N 197584 BRD-A74208568-003-01-5 CGP-54626 0 93.07 Tocris 1088 CGP 54626 hydrochloride 407.118 "C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 |a:1,4,&1:7|" JGGVBBYJRQOPPA-BBRMVZONSA-N 197584 BRD-K00004232-003-02-9 CGP-55845 0 97.18 Tocris 1248 CGP55845 401.071 C[C@H](NC[C@H](O)CP(O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZODSPDOOCZZEIM-BBRMVZONSA-N 5311042 BRD-K00004232-003-01-9 CGP-55845 0 96.85 Tocris 1248 CGP 55845 hydrochloride 401.071 C[C@H](NC[C@H](O)CP(O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZODSPDOOCZZEIM-BBRMVZONSA-N 5311042 BRD-K42500029-001-04-3 CGP-57380 0 85.71 Tocris 2731 CGP 57380 244.087 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 UQPMANVRZYYQMD-UHFFFAOYSA-N 11644425 BRD-K42500029-001-03-5 CGP-57380 0 92.47 Selleck S7421 CGP 57380 244.087 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 UQPMANVRZYYQMD-UHFFFAOYSA-N 11644425 BRD-K42500029-001-06-8 CGP-57380 0 91.61 Tocris 2731 CGP 57380 244.087 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 UQPMANVRZYYQMD-UHFFFAOYSA-N 11644425 BRD-K79090631-001-23-9 CGP-60474 0 95.21 Tocris 5471 CGP 60474 355.12 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1 IYNDTACKOAXKBJ-UHFFFAOYSA-N 644215 BRD-K79090631-001-22-3 CGP-60474 0 98.36 Tocris 5471 CGP 60474 355.12 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1 IYNDTACKOAXKBJ-UHFFFAOYSA-N 644215 BRD-K34321528-003-02-0 CGP-71683 0 97.9 Tocris 2199 CGP 71683 hydrochloride 475.204 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |r| UULIGRNKXHCLQN-WGSAOQKQSA-N BRD-K34321528-003-01-2 CGP-71683 0 98.57 Tocris 2199 CGP 71683 hydrochloride 475.204 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |r| UULIGRNKXHCLQN-WGSAOQKQSA-N BRD-K34321528-003-03-9 CGP-71683 0 97.77 Tocris 2199 CGP 71683 hydrochloride 475.204 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |r| UULIGRNKXHCLQN-WGSAOQKQSA-N BRD-K56239177-300-02-9 CGP-74514 0 96.7 Tocris 5472 CGP 74514 dihydrochloride 385.178 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 UTBSBSOBZHXMHI-LSDHHAIUSA-N 2794188 BRD-K56239177-300-01-3 CGP-74514 0 95.63 Tocris 5472 CGP 74514 dihydrochloride 385.178 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 UTBSBSOBZHXMHI-LSDHHAIUSA-N 2794188 BRD-K60946979-003-02-9 CGP-78608 0 97.3 Tocris 1493 CGP 78608 hydrochloride 376.978 C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O DPFHVUSPVHRVFL-YFKPBYRVSA-N 6604872 BRD-K60946979-003-01-7 CGP-78608 0 0 Tocris 1493 CGP 78608 hydrochloride 376.978 C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O DPFHVUSPVHRVFL-YFKPBYRVSA-N 6604872 BRD-K65786282-001-08-3 CGP-7930 0 96.35 Tocris 1513 CGP 7930 292.24 CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C XLWJPQQFJNGUPA-UHFFFAOYSA-N 5024764 BRD-K65786282-001-09-9 CGP-7930 0 85.15 Tocris 1513 CGP 7930 292.24 CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C XLWJPQQFJNGUPA-UHFFFAOYSA-N 5024764 BRD-K65786282-001-07-5 CGP-7930 0 93.65 Tocris 1513 CGP 7930 292.24 CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C XLWJPQQFJNGUPA-UHFFFAOYSA-N 5024764 BRD-K49049886-001-08-7 CGS-15943 0 96.89 Tocris 1699 CGS 15943 285.042 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 MSJODEOZODDVGW-UHFFFAOYSA-N 2690 BRD-K49049886-001-13-7 CGS-15943 0 96.45 WuXi CGS-15943 CGS-15943 285.042 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 MSJODEOZODDVGW-UHFFFAOYSA-N 2690 BRD-K68103045-001-03-7 CGS-20625 0 94.19 Tocris 2467 CGS 20625 309.148 COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O UBLXQFIFWUEVGJ-UHFFFAOYSA-N 163844 BRD-K68103045-001-02-9 CGS-20625 0 94.08 Tocris 2467 CGS 20625 309.148 COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O UBLXQFIFWUEVGJ-UHFFFAOYSA-N 163844 BRD-K68103045-001-04-9 CGS-20625 0 93.03 Tocris 2467 CGS 20625 309.148 COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O UBLXQFIFWUEVGJ-UHFFFAOYSA-N 163844 BRD-K27176996-003-10-9 CGS-21680 0 93.52 Tocris 1063 CGS 21680 hydrochloride 499.218 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 PAOANWZGLPPROA-RQXXJAGISA-N 3086599 BRD-K54093161-001-01-8 CGS-9896 0 96.33 ChemDiv M436-0007 "2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3(2H)-one" 295.051 Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O QCBUAKLOWCOUCR-UHFFFAOYSA-N 108030 BRD-K24820488-001-01-7 CH-170 0 99.18 Enamine Z164701248 276.097 Cc1nc(Cn2cnc3n(C)c(=O)n(C)c(=O)c23)no1 JBXSBZBZASARMY-UHFFFAOYSA-N 139570 BRD-K24820488-001-02-9 CH-170 0 Broad Institute Chinoin 170 Chinoin 170 276.097 Cc1nc(Cn2cnc3n(C)c(=O)n(C)c(=O)c23)no1 JBXSBZBZASARMY-UHFFFAOYSA-N 139570 BRD-K11683436-001-01-7 CH-5183284 0 98.42 Selleck S7665 CH5183284 (Debio-1347) 356.139 Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N BEMNJULZEQTDJY-UHFFFAOYSA-N 66555680 BRD-K11683436-001-02-5 CH-5183284 0 97.6 Cayman 17120 (5-amino-1-(2-methyl-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-4-yl)(1H-indol-2-yl)methanone 356.139 Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N BEMNJULZEQTDJY-UHFFFAOYSA-N 66555680 BRD-K22314899-001-02-4 CH223191 0 97.94 Tocris 3858 CH 223191 333.159 Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1 LKTNEXPODAWWFM-GHVJWSGMSA-N BRD-K28352084-001-02-3 CH5132799 0 89.03 Selleck S2699 CH5132799 377.127 CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 JEGHXKRHKHPBJD-UHFFFAOYSA-N 49784945 BRD-K28352084-001-03-1 CH5132799 0 93.07 Selleck S2699 CH5132799 377.127 CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 JEGHXKRHKHPBJD-UHFFFAOYSA-N 49784945 BRD-K28352084-001-04-9 CH5132799 0 94.91 MedChemEx HY-15466 CH5132799 377.127 CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 JEGHXKRHKHPBJD-UHFFFAOYSA-N 49784945 BRD-K71487808-001-03-6 CH55 0 92.13 Tocris 2020 Ch 55 364.204 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O FOUVTBKPJRMLPE-FMIVXFBMSA-N 6184667 BRD-K71487808-001-02-8 CH55 0 63.97 Tocris 2020 Ch 55 364.204 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O FOUVTBKPJRMLPE-FMIVXFBMSA-N 6184667 BRD-K60302405-001-08-6 CHC 0 89.98 Tocris 5029 CHC 189.043 OC(=O)C(=C\c1ccc(O)cc1)\C#N AFVLVVWMAFSXCK-VMPITWQZSA-N 5328791 BRD-K60302405-001-04-5 CHC 0 97.89 MicroSource 1502096 alpha-CYANO-4-HYDROXYCINNAMIC ACID 189.043 OC(=O)C(=C\c1ccc(O)cc1)\C#N "InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+" 5328791 BRD-K18135438-001-14-2 chenodeoxycholic-acid 0 96.54 MicroSource 1500837 CHENODIOL 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C RUDATBOHQWOJDD-BSWAIDMHSA-N 10133 BRD-K18135438-001-16-7 chenodeoxycholic-acid 0 100 Selleck S1843 Chenodeoxycholic Acid 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C RUDATBOHQWOJDD-BSWAIDMHSA-N 10133 BRD-K43723251-001-01-5 BRD-K34508702-001-02-4 CHF5074 0 92.25 MedChemEx HY-14399 CHF5074 324.012 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 LIYLTQQDABRNRX-UHFFFAOYSA-N 9996409 BRD-K56483981-342-06-4 chicago-sky-blue-6b 0 76.61 Prestwick Prestw-425 Chicago sky blue 6B 904.044 "COc1cc(ccc1NN=C1C=Cc2c(cc(c(N)c2C1=O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(NN=C2C=Cc3c(cc(c(N)c3C2=O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1 |c:12,40|" BGULJNMSWJQIEK-UHFFFAOYSA-N 6817703 BRD-K56483981-342-07-2 chicago-sky-blue-6b 0 0 Selleck S5609 Chicago sky blue 6B 904.044 "COc1cc(ccc1NN=C1C=Cc2c(cc(c(N)c2C1=O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(NN=C2C=Cc3c(cc(c(N)c3C2=O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1 |c:12,40|" BGULJNMSWJQIEK-UHFFFAOYSA-N 6817703 BRD-K28537285-001-01-8 chidamide 0 91.41 MedChemEx HY-13592 Chidamide 390.149 Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1 WXHHICFWKXDFOW-BJMVGYQFSA-N 9800555 BRD-K52284881-236-02-4 chiniofon 0 95.18 MicroSource 1504510 CHINIOFON 350.906 Oc1c(I)cc(c2cccnc12)S(O)(=O)=O ZBJWWKFMHOAPNS-UHFFFAOYSA-N 1550821 BRD-K52284881-001-03-9 chiniofon 0 97.33 Sigma MFCD00006793 8-Hydroxy-7-iodo-5-quinolinesulfonic acid 350.906 Oc1c(I)cc(c2cccnc12)S(O)(=O)=O ZBJWWKFMHOAPNS-UHFFFAOYSA-N 1550821 BRD-K02241333-001-02-7 CHIR-124 0 95.19 Selleck S2683 CHIR-124 419.151 Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 MOVBBVMDHIRCTG-LJQANCHMSA-N 135399748 BRD-K42973005-001-07-9 CHIR-98014 0 85.59 MedChemEx HY-13076 CHIR-98014 485.088 Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O MDZCSIDIPDZWKL-UHFFFAOYSA-N 53396311 BRD-K42973005-001-04-0 CHIR-98014 0 94.71 Selleck S2745 CHIR-98014 485.088 Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O MDZCSIDIPDZWKL-UHFFFAOYSA-N 53396311 BRD-K16189898-003-03-3 CHIR-99021 0 95.6 Selleck S2924 CHIR-99021 (CT99021) HCl 464.103 Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl AQGNHMOJWBZFQQ-UHFFFAOYSA-N 9956119 BRD-K16189898-001-21-9 CHIR-99021 0 89.93 Tocris 4423 CHIR 99021 464.103 Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl AQGNHMOJWBZFQQ-UHFFFAOYSA-N 9956119 BRD-K16189898-001-12-8 CHIR-99021 0 98.29 Stanley Chiron 99021 464.103 Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl AQGNHMOJWBZFQQ-UHFFFAOYSA-N 9956119 BRD-K00004971-001-01-9 chloralose 0 92.6 MedChemEx HY-B1020 Chloralose 307.962 OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl OJYGBLRPYBAHRT-IPQSZEQASA-N 7057995 BRD-K29458283-001-29-9 chlorambucil 0 94.93 MicroSource 1500171 CHLORAMBUCIL 303.079 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl JCKYGMPEJWAADB-UHFFFAOYSA-N 2708 BRD-K93546328-236-02-8 chloramine-T 0 69.13 MicroSource 1504506 CHLORAMINE-T 204.996 Cc1ccc(cc1)S(=O)(=O)NCl NXTVQNIVUKXOIL-UHFFFAOYSA-N 31388 BRD-K93546328-236-03-9 chloramine-T 0 65.32 MedChemEx HY-B0959 Chloramine-T 204.996 Cc1ccc(cc1)S(=O)(=O)NCl NXTVQNIVUKXOIL-UHFFFAOYSA-N 31388 BRD-K08111712-001-16-7 chloramphenicol 0 99.59 MicroSource 1500174 CHLORAMPHENICOL 322.012 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O WIIZWVCIJKGZOK-RKDXNWHRSA-N 5959 BRD-K22969690-001-04-2 BRD-K08111712-001-14-2 chloramphenicol 0 96.03 Selleck S1677 Chloramphenicol 322.012 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O WIIZWVCIJKGZOK-RKDXNWHRSA-N 5959 BRD-K33742430-001-01-1 chloramphenicol-palmitate 0 96.32 TCI C3258 Chloramphenicol palmitate 560.242 CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O PXKHGMGELZGJQE-ILBGXUMGSA-N 443382 BRD-K25209357-236-01-2 chloramphenicol-sodium-succinate 0 31.43 MicroSource 1500173 CHLORAMPHENICOL SODIUM SUCCINATE 422.028 O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O LIRCDOVJWUGTMW-ZWNOBZJWSA-N 656580 BRD-K21452876-003-01-8 chlorazanil 0 98.95 MicroSource 1503744 CHLORAZANIL HYDROCHLORIDE 221.047 Nc1ncnc(Nc2ccc(Cl)cc2)n1 YRZQHIVOIFJEEE-UHFFFAOYSA-N 10374 BRD-K44275059-003-01-5 BRD-A57133233-003-12-9 chlorcyclizine 0 93.25 MedChemEx HY-112067A Chlorcyclizine (hydrochloride) 300.139 CN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:7| WFNAKBGANONZEQ-SFHVURJKSA-N 688437 BRD-A57133233-003-11-0 chlorcyclizine 0 97.82 Enzo AC2340 Chlorcyclizine hydrochloride 300.139 CN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:7| WFNAKBGANONZEQ-SFHVURJKSA-N 688437 BRD-K89409436-001-01-4 chlorfenson 0 0 Sigma MFCD00055266 4-chlorophenyl 4-chlorobenzenesulfonate 301.957 Clc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 RZXLPPRPEOUENN-UHFFFAOYSA-N 6635 BRD-K52256627-300-06-6 chlorhexidine 0 97.77 MicroSource 1500177 CHLORHEXIDINE DIHYDROCHLORIDE 504.203 NC(Nc1ccc(Cl)cc1)=NC(=N)NCCCCCCNC(=N)N=C(N)Nc1ccc(Cl)cc1 GHXZTYHSJHQHIJ-UHFFFAOYSA-N 9552079 BRD-K52256627-300-05-8 chlorhexidine 0 97.82 InterBioScreen STOCK1S-18831 504.203 NC(Nc1ccc(Cl)cc1)=NC(=N)NCCCCCCNC(=N)N=C(N)Nc1ccc(Cl)cc1 "InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)" 9552079 BRD-K01653460-001-01-1 chlorindanol 0 93.98 MicroSource 1503743 CHLORINDANOL 168.034 Oc1ccc(Cl)c2CCCc12 ATAJVFBUUIBIEO-UHFFFAOYSA-N 8961 BRD-K01653460-001-02-9 chlorindanol 0 94.71 Sigma MFCD00021243 7-CHLORO-4-INDANOL 168.034 Oc1ccc(Cl)c2CCCc12 ATAJVFBUUIBIEO-UHFFFAOYSA-N 8961 BRD-K61802864-001-09-9 chlorindione 0 94.32 MedChemEx HY-B0918 Chlorindione 256.029 Clc1ccc(cc1)C1C(=O)c2ccccc2C1=O NJDUWAXIURWWLN-UHFFFAOYSA-N 70846 BRD-K61802864-001-08-8 chlorindione 0 96.83 MicroSource 1504507 CHLORINDIONE 256.029 Clc1ccc(cc1)C1C(=O)c2ccccc2C1=O NJDUWAXIURWWLN-UHFFFAOYSA-N 70846 BRD-K18030938-302-03-9 chlorisondamine-diiodide 0 4.63 Tocris 1001 Chlorisondamine diiodide 356.038 C[N+](C)(C)CC[N+]1(C)Cc2c(C1)c(Cl)c(Cl)c(Cl)c2Cl IXWDUZLHWJKVPX-UHFFFAOYSA-N 6244 BRD-K18030938-302-02-7 chlorisondamine-diiodide 0 0 Tocris 1001 Chlorisondamine diiodide 356.038 C[N+](C)(C)CC[N+]1(C)Cc2c(C1)c(Cl)c(Cl)c(Cl)c2Cl IXWDUZLHWJKVPX-UHFFFAOYSA-N 6244 BRD-K38704569-001-18-9 chlormadinone-acetate 0 93.83 MedChemEx HY-B1095 Chlormadinone acetate 404.175 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" QMBJSIBWORFWQT-DFXBJWIESA-N 9324 BRD-A20348246-001-15-8 chlormezanone 0 98.9 MicroSource 2300062 CHLORMEZANONE 273.023 "CN1[C@@H](c2ccc(Cl)cc2)S(=O)(=O)CCC1=O |&1:2,r|" WEQAYVWKMWHEJO-LLVKDONJSA-N 6604211 BRD-A20348246-001-16-9 chlormezanone 0 90.62 Tocris 456 Chlormezanone 273.023 "CN1[C@@H](c2ccc(Cl)cc2)S(=O)(=O)CCC1=O |&1:2,r|" WEQAYVWKMWHEJO-LLVKDONJSA-N 6604211 BRD-A20348246-001-14-1 chlormezanone 0 98.29 Tocris 456 Chlormezanone 273.023 "CN1[C@@H](c2ccc(Cl)cc2)S(=O)(=O)CCC1=O |&1:2,r|" WEQAYVWKMWHEJO-LLVKDONJSA-N 6604211 BRD-A20348246-001-13-3 chlormezanone 0 97.48 Selleck S2021 Chlormezanone 273.023 "CN1[C@@H](c2ccc(Cl)cc2)S(=O)(=O)CCC1=O |&1:2,r|" WEQAYVWKMWHEJO-LLVKDONJSA-N 6604211 BRD-K60443845-001-08-6 chlormidazole 0 94.26 MicroSource 1503733 CHLORMIDAZOLE 256.077 Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 WNAQOLSMVPFGTE-UHFFFAOYSA-N 71821 BRD-K60443845-001-09-9 chlormidazole 0 91.81 Vitas-M STK697993 1-(4-chlorobenzyl)-2-methyl-1H-benzimidazole 256.077 Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 WNAQOLSMVPFGTE-UHFFFAOYSA-N 71821 BRD-K39495750-001-01-2 chlorobutanol 1 0 MicroSource 1502551 CHLOROBUTANOL 175.956 CC(C)(O)C(Cl)(Cl)Cl OSASVXMJTNOKOY-UHFFFAOYSA-N 5977 BRD-K39495750-001-02-0 chlorobutanol 1 0 Enamine Z1259084902 "1,1,1-trichloro-2-methyl-2-propanol" 175.956 CC(C)(O)C(Cl)(Cl)Cl OSASVXMJTNOKOY-UHFFFAOYSA-N 5977 BRD-K89056082-001-07-7 chlorocresol 0 94.58 MicroSource 1500178 CHLOROCRESOL 142.019 Cc1cc(O)ccc1Cl CFKMVGJGLGKFKI-UHFFFAOYSA-N 1732 BRD-K89056082-001-06-9 chlorocresol 0 89.72 Selleck S4209 Chlorocresol 142.019 Cc1cc(O)ccc1Cl CFKMVGJGLGKFKI-UHFFFAOYSA-N 1732 BRD-K89056082-001-08-5 chlorocresol 0 85.44 Selleck S4209 Chlorocresol 142.019 Cc1cc(O)ccc1Cl CFKMVGJGLGKFKI-UHFFFAOYSA-N 1732 BRD-K47114202-001-16-9 chlorogenic-acid 0 94.38 MedChemEx HY-N0055 Chlorogenic acid 354.095 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O CWVRJTMFETXNAD-JUHZACGLSA-N 1794427 BRD-K47114202-001-14-6 chlorogenic-acid 0 95.33 Selleck S2280 Chlorogenic acid 354.095 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O CWVRJTMFETXNAD-JUHZACGLSA-N 1794427 BRD-K47114202-001-15-3 chlorogenic-acid 0 41.31 Selleck S2280 Chlorogenic Acid 354.095 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O CWVRJTMFETXNAD-JUHZACGLSA-N 1794427 BRD-K46579573-001-01-9 BRD-K23728266-001-01-1 chlorophyllin 0 5.35 Adooq A14018 "(7S,8S)-8-(2-carboxyethyl)-10-(carboxymethyl)-17-ethyl-3,7,13,18-tetramethyl-2-vinyl-7H,8H-porphyrin-12-carboxylic acid" 596.263 CCc1c(C)c2cc3nc(cc4[nH]c([C@@H](CCC(O)=O)[C@@H]4C)c(CC(O)=O)c4[nH]c(cc1n2)c(C)c4C(O)=O)c(C)c3C=C HZDQUOWQHHSPIE-HASICPNOSA-N BRD-A92960111-314-01-2 chlorophyllin-copper 0 20.18 MedChemEx HY-B0911 657.177 "CCC1=C(C)\C2=C\c3c(C=C)c(C)c4\C=C5/N=C([C@@H](CCC(O)=O)[C@@H]5C)/C(/CC(O)=O)=c5/c(C(O)=O)c(C)\c(=C\C1=N2)n5[Cu]n34 |&1:18,&2:24,r,c:2,14,16,42,t:5,31,39|" ZDOYGJNADZJRFB-PVMVIUQGSA-L BRD-U98640356-000-01-9 BRD-A92960111-314-02-0 chlorophyllin-copper 0 3.11 Sigma C6003-5G 657.177 "CCC1=C(C)\C2=C\c3c(C=C)c(C)c4\C=C5/N=C([C@@H](CCC(O)=O)[C@@H]5C)/C(/CC(O)=O)=c5/c(C(O)=O)c(C)\c(=C\C1=N2)n5[Cu]n34 |&1:18,&2:24,r,c:2,14,16,42,t:5,31,39|" ZDOYGJNADZJRFB-PVMVIUQGSA-L BRD-K86864073-001-01-1 chloroprocaine 0 88.33 Enamine Z1724408123 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate 270.114 CCN(CC)CCOC(=O)c1ccc(N)cc1Cl VDANGULDQQJODZ-UHFFFAOYSA-N 8612 BRD-K83257731-003-25-9 chloropyramine 0 97.32 MedChemEx HY-B1305 Chloropyramine hydrochloride 289.135 CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ICKFFNBDFNZJSX-UHFFFAOYSA-N 25295 BRD-K83257731-003-23-5 chloropyramine 0 95.27 MicroSource 1506064 CHLOROPYRAMINE HYDROCHLORIDE 289.135 CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ICKFFNBDFNZJSX-UHFFFAOYSA-N 25295 BRD-A91699651-316-10-9 chloroquine 0 86.48 MicroSource 1500179 CHLOROQUINE DIPHOSPHATE 319.182 CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |&1:8| WHTVZRBIWZFKQO-CQSZACIVSA-N 444810 BRD-A91699651-316-09-1 chloroquine 0 94.51 Selleck S4157 Chloroquine Phosphate 319.182 CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |&1:8| WHTVZRBIWZFKQO-CQSZACIVSA-N 444810 BRD-A91699651-316-11-7 chloroquine 0 96.54 Selleck S4157 Chloroquine Phosphate 319.182 CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |&1:8| WHTVZRBIWZFKQO-CQSZACIVSA-N 444810 BRD-K88682005-001-16-6 chlorothiazide 0 89.99 MicroSource 1500180 CHLOROTHIAZIDE 294.949 NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12| JBMKAUGHUNFTOL-UHFFFAOYSA-N 2720 BRD-K88682005-001-17-9 chlorothiazide 0 97.48 MedChemEx HY-B0224 Chlorothiazide 294.949 NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12| JBMKAUGHUNFTOL-UHFFFAOYSA-N 2720 BRD-K88682005-001-15-8 chlorothiazide 0 95.43 Selleck S1641 Chlorothiazide 294.949 NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12| JBMKAUGHUNFTOL-UHFFFAOYSA-N 2720 BRD-K04358951-001-02-9 chlorothymol 0 18.51 Sigma MFCD00002326 4-Chloro-2-isopropyl-5-methylphenol 184.065 CC(C)c1cc(Cl)c(C)cc1O KFZXVMNBUMVKLN-UHFFFAOYSA-N 6982 BRD-K04358951-001-01-0 chlorothymol 0 0 Enamine Z104485030 184.065 CC(C)c1cc(Cl)c(C)cc1O KFZXVMNBUMVKLN-UHFFFAOYSA-N 6982 BRD-K27062708-001-24-9 chlorotrianisene 0 95.93 Sigma MFCD00048044 Chlorotrianisene 380.118 COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 BFPSDSIWYFKGBC-UHFFFAOYSA-N 11289 BRD-K27062708-001-23-1 chlorotrianisene 0 98.18 Prestwick Prestw-757 Chlorotrianisene 380.118 COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 BFPSDSIWYFKGBC-UHFFFAOYSA-N 11289 BRD-K17075857-001-17-6 chloroxine 0 96.2 MicroSource 1503202 CHLOROXINE 212.975 Oc1c(Cl)cc(Cl)c2cccnc12 WDFKMLRRRCGAKS-UHFFFAOYSA-N 2722 BRD-K17075857-001-18-4 chloroxine 0 99.48 Selleck S1839 Chloroxine 212.975 Oc1c(Cl)cc(Cl)c2cccnc12 WDFKMLRRRCGAKS-UHFFFAOYSA-N 2722 BRD-K17075857-001-16-8 chloroxine 0 86.74 Selleck S1839 Chloroxine 212.975 Oc1c(Cl)cc(Cl)c2cccnc12 WDFKMLRRRCGAKS-UHFFFAOYSA-N 2722 BRD-K83335125-001-07-0 chloroxoquinoline 0 97.87 Alinda ALBB-024683 7-chloroquinolin-4(1H)-one 179.014 Clc1ccc2c(c1)[nH]ccc2=O XMFXTXKSWIDMER-UHFFFAOYSA-N 66593 BRD-K17223896-001-11-9 chloroxylenol 0 92.78 MedChemEx HY-B1414 Chloroxylenol 156.034 Cc1cc(O)cc(C)c1Cl OSDLLIBGSJNGJE-UHFFFAOYSA-N 2723 BRD-K17223896-001-10-0 chloroxylenol 0 95.32 MicroSource 1500182 CHLOROXYLENOL 156.034 Cc1cc(O)cc(C)c1Cl OSDLLIBGSJNGJE-UHFFFAOYSA-N 2723 BRD-K01826567-050-16-9 chlorphenamine 0 95.63 MedChemEx HY-B0286A Chlorpheniramine (maleate) 274.124 CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 |&1:5| SOYKEARSMXGVTM-HNNXBMFYSA-N 33036 BRD-A92262698-001-02-5 chlorphenesin 0 98.16 Sigma MFCD00021990 "3-(4-chlorophenoxy)-1,2-propanediol" 202.04 "OC[C@@H](O)COc1ccc(Cl)cc1 |&1:2,r|" MXOAEAUPQDYUQM-MRVPVSSYSA-N 6918886 BRD-A92262698-001-01-7 chlorphenesin 0 0 Enamine Z995094004 202.04 "OC[C@@H](O)COc1ccc(Cl)cc1 |&1:2,r|" MXOAEAUPQDYUQM-MRVPVSSYSA-N 6918886 BRD-K00003537-001-01-9 chlorphenoxamine 0 90 MedChemEx HY-B1607 Chlorphenoxamine 303.139 CN(C)CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| KKHPNPMTPORSQE-SFHVURJKSA-N 38988830 BRD-A39230911-001-10-2 chlorphensin-carbamate 0 98.03 Prestwick Prestw-234 Chlorphensin carbamate 245.045 "NC(=O)OC[C@@H](O)COc1ccc(Cl)cc1 |&1:5,r|" SKPLBLUECSEIFO-QMMMGPOBSA-N 73416025 BRD-K25494650-003-01-8 chlorproguanil 0 97.98 AMS A000012202 287.07 CC(C)NC(=N)N=C(N)Nc1ccc(Cl)c(Cl)c1 ISZNZKHCRKXXAU-UHFFFAOYSA-N 9571037 BRD-K89997465-001-10-3 chlorpromazine 0 70.64 MicroSource 1500184 CHLORPROMAZINE 318.096 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 ZPEIMTDSQAKGNT-UHFFFAOYSA-N 2726 BRD-K89997465-003-43-0 chlorpromazine 0 85.88 Selleck S2456 Chlorpromazine HCl 318.096 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 ZPEIMTDSQAKGNT-UHFFFAOYSA-N 2726 BRD-K89997465-003-44-8 chlorpromazine 0 97.33 Selleck S2456 Chlorpromazine (Sonazine) 318.096 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 ZPEIMTDSQAKGNT-UHFFFAOYSA-N 2726 BRD-K97746869-001-29-9 chlorpropamide 0 88.71 MedChemEx HY-B1429 Chlorpropamide 276.034 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 RKWGIWYCVPQPMF-UHFFFAOYSA-N 2727 BRD-K97746869-001-27-0 chlorpropamide 0 98.37 MicroSource 1500185 CHLORPROPAMIDE 276.034 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 RKWGIWYCVPQPMF-UHFFFAOYSA-N 2727 BRD-K97746869-001-26-2 chlorpropamide 0 95.55 Selleck S4166 Chlorpropamide 276.034 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 RKWGIWYCVPQPMF-UHFFFAOYSA-N 2727 BRD-K59590127-001-04-5 chlorpropham 0 99.36 Sigma MFCD00037108 isopropyl 3-chlorophenylcarbamate 213.056 CC(C)OC(=O)Nc1cccc(Cl)c1 CWJSHJJYOPWUGX-UHFFFAOYSA-N 2728 BRD-K36207157-001-10-9 chlorprothixene 0 96.73 MedChemEx HY-B0274 Chlorprothixene 315.085 CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 WSPOMRSOLSGNFJ-AUWJEWJLSA-N 667467 BRD-K36207157-001-09-6 chlorprothixene 0 94.14 MicroSource 1503203 CHLORPROTHIXENE HYDROCHLORIDE 315.085 CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 WSPOMRSOLSGNFJ-AUWJEWJLSA-N 667467 BRD-K59058766-003-21-9 BRD-K36207157-001-07-0 chlorprothixene 0 97.83 Selleck S1771 Chlorprothixene 315.085 CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 WSPOMRSOLSGNFJ-AUWJEWJLSA-N 667467 BRD-K36207157-001-08-8 chlorprothixene 0 46.95 Selleck S1771 Chlorprothixene 315.085 CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 WSPOMRSOLSGNFJ-AUWJEWJLSA-N 667467 BRD-K59058766-001-01-5 BRD-K08303368-001-10-0 chlorpyrifos 0 79.39 MicroSource 330058 CHLORPYRIFOS 348.926 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl SBPBAQFWLVIOKP-UHFFFAOYSA-N 2730 BRD-K08303368-001-11-9 chlorpyrifos 0 89.93 Astatech H10426 "O,O-DIETHYL O-3,5,6-TRICHLORO-2-PYRIDYL PHOSPHOROTHIOATE" 348.926 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl SBPBAQFWLVIOKP-UHFFFAOYSA-N 2730 BRD-K90374350-001-11-9 chlorquinaldol 0 96.81 MedChemEx HY-B1360 Chlorquinaldol 226.99 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 GPTXWRGISTZRIO-UHFFFAOYSA-N 6301 BRD-K90374350-001-10-0 chlorquinaldol 0 38.18 MicroSource 212151 CHLORQUINALDOL 226.99 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 GPTXWRGISTZRIO-UHFFFAOYSA-N 6301 BRD-K90374350-001-09-2 chlorquinaldol 0 96.93 Selleck S4192 Chlorquinaldol 226.99 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 GPTXWRGISTZRIO-UHFFFAOYSA-N 6301 BRD-K00003353-003-01-9 chlortetracycline 0 43.45 MedChemEx HY-B1327 Chlortetracycline (hydrochloride) 478.114 "[H][C@@]12C[C@@]3([H])[C@H](C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@H]2N(C)C |&1:25,&2:5|" RNPLSXLZRGPQCU-YPOKJENWSA-N BRD-A26384407-001-25-1 chlorthalidone 0 98.01 MicroSource 1500187 CHLORTHALIDONE 338.013 "NS(=O)(=O)c1cc(ccc1Cl)[C@@]1(O)NC(=O)c2ccccc12 |&1:11,r|" JIVPVXMEBJLZRO-AWEZNQCLSA-N 688424 BRD-A26384407-001-26-9 chlorthalidone 0 97.93 MedChemEx HY-15833 Chlorthalidone 338.013 "NS(=O)(=O)c1cc(ccc1Cl)[C@@]1(O)NC(=O)c2ccccc12 |&1:11,r|" JIVPVXMEBJLZRO-AWEZNQCLSA-N 688424 BRD-K98174813-001-26-9 chlorzoxazone 0 97.68 MedChemEx HY-B1462 Chlorzoxazone 168.993 Clc1ccc2oc(=O)[nH]c2c1 TZFWDZFKRBELIQ-UHFFFAOYSA-N 2733 BRD-K98174813-001-18-0 chlorzoxazone 0 100 MicroSource 1500188 CHLORZOXAZONE 168.993 Clc1ccc2oc(=O)[nH]c2c1 TZFWDZFKRBELIQ-UHFFFAOYSA-N 2733 BRD-K98174813-001-17-2 chlorzoxazone 0 98.53 Selleck S4155 Chlorzoxazone 168.993 Clc1ccc2oc(=O)[nH]c2c1 TZFWDZFKRBELIQ-UHFFFAOYSA-N 2733 BRD-K62779383-001-08-9 cholecalciferol 0 0 MicroSource 1500838 CHOLECALCIFEROL 384.339 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C QYSXJUFSXHHAJI-YRZJJWOYSA-N 5280795 BRD-A56749456-001-04-3 BRD-K62779383-001-07-1 cholecalciferol 0 0 Selleck S4063 Vitamin D3 384.339 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C QYSXJUFSXHHAJI-YRZJJWOYSA-N 5280795 BRD-K32793810-001-01-5 BRD-K62779383-001-05-5 cholecalciferol 0 92.35 Selleck S4063 Vitamin D3 (Cholecalciferol) 384.339 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C QYSXJUFSXHHAJI-YRZJJWOYSA-N 5280795 BRD-K19338361-001-03-9 cholesterol 0 0 MedChemEx HY-N0322 Cholesterol 386.355 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| HVYWMOMLDIMFJA-DPAQBDIFSA-N 5997 BRD-K43164539-001-12-9 cholic-acid 0 100 MedChemEx HY-N0324 Cholic acid 408.288 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C BHQCQFFYRZLCQQ-OELDTZBJSA-N 221493 BRD-K43164539-001-11-5 cholic-acid 0 100 Enzo BL051 Cholic acid 408.288 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C BHQCQFFYRZLCQQ-OELDTZBJSA-N 221493 BRD-K77300776-001-01-7 choline 0 99.82 MicroSource 1503428 CHOLINE CHLORIDE 104.108 C[N+](C)(C)CCO OEYIOHPDSNJKLS-UHFFFAOYSA-N 305 BRD-M07056525-001-05-3 BRD-K77300776-001-02-5 choline 0 100 Selleck S4171 Choline Chloride 104.108 C[N+](C)(C)CCO OEYIOHPDSNJKLS-UHFFFAOYSA-N 305 BRD-M07056525-001-04-6 BRD-K77300776-003-03-9 choline 0 100 MedChemEx HY-B1337 Choline (chloride) 104.108 C[N+](C)(C)CCO OEYIOHPDSNJKLS-UHFFFAOYSA-N 305 BRD-K00003587-001-01-9 choline-alfoscerate 0 100 MedChemEx HY-17552 sn-Glycero-3-phosphocholine 258.111 C[N+](C)(C)CCOP(O)(=O)OC[C@H](O)CO SUHOQUVVVLNYQR-MRVPVSSYSA-O 58381695 BRD-A19381518-001-04-9 CHPG 0 0 Tocris 1049 CHPG 201.019 "N[C@@H](C(O)=O)c1cc(O)ccc1Cl |&1:1,r|" UNIDAFCQFPGYJJ-SSDOTTSWSA-N 6604802 BRD-A19381518-001-02-1 CHPG 0 0 Tocris 1049 CHPG 201.019 "N[C@@H](C(O)=O)c1cc(O)ccc1Cl |&1:1,r|" UNIDAFCQFPGYJJ-SSDOTTSWSA-N 6604802 BRD-K76259716-019-01-1 CHR-6494 0 99.14 Tocris 5326 CHR 6494 trifluoroacetate 292.144 CCCNc1ccc2ncc(-c3ccc4n[nH]cc4c3)n2n1 CZZCAOGIEGXMBZ-UHFFFAOYSA-N 70679308 BRD-K76259716-001-01-9 CHR-6494 0 94.59 MedChemEx HY-15217 CHR-6494 292.144 CCCNc1ccc2ncc(-c3ccc4n[nH]cc4c3)n2n1 CZZCAOGIEGXMBZ-UHFFFAOYSA-N 70679308 BRD-M02075109-001-01-1 chromanol-(+/-) 0 98.74 Tocris 1412 Chromanol 293B 324.114 CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N.CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N VCIPBXUEKWCJAU-DZYJZKBLSA-N 90479790 BRD-K27911943-001-02-8 "chromanol-293B-(-)-[3R,4S]" 0 99.19 Tocris 1475 "(-)-[3R,4S]-Chromanol 293B" 324.114 CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N HVSJHHXUORMCGK-UONOGXRCSA-N 121846 BRD-K27911943-001-03-9 "chromanol-293B-(-)-[3R,4S]" 0 96.03 Tocris 1475 "(-)-[3R,4S]-Chromanol 293B" 324.114 CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N HVSJHHXUORMCGK-UONOGXRCSA-N 121846 BRD-K01029106-001-02-9 chromium-picolinate 0 94.22 Sigma MFCD00068715 CHROMIUM PICOLINATE 418.013 O=C(O[Cr](OC(=O)c1ccccn1)OC(=O)c1ccccn1)c1ccccn1 CBDQOLKNTOMMTL-UHFFFAOYSA-K 56840998 BRD-K01029106-001-01-4 chromium-picolinate 0 99.23 Vitas-M STL146656 418.013 O=C(O[Cr](OC(=O)c1ccccn1)OC(=O)c1ccccn1)c1ccccn1 CBDQOLKNTOMMTL-UHFFFAOYSA-K 56840998 BRD-M54429190-001-01-7 BRD-K94720315-001-11-9 chromocarb 0 97.98 MedChemEx HY-B1182 Chromocarb 190.027 OC(=O)c1cc(=O)c2ccccc2o1 RVMGXWBCQGAWBR-UHFFFAOYSA-N 2741 BRD-K94720315-001-10-4 chromocarb 0 97.77 MicroSource 1503044 CHROMOCARB 190.027 OC(=O)c1cc(=O)c2ccccc2o1 RVMGXWBCQGAWBR-UHFFFAOYSA-N 2741 BRD-K94720315-001-09-6 chromocarb 0 95.8 Selleck S4208 Chromocarb 190.027 OC(=O)c1cc(=O)c2ccccc2o1 RVMGXWBCQGAWBR-UHFFFAOYSA-N 2741 BRD-K22861715-001-18-9 chrysin 0 98.78 MedChemEx HY-14589 Chrysin 254.058 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 RTIXKCRFFJGDFG-UHFFFAOYSA-N 5281607 BRD-K22861715-001-17-4 chrysin 0 96.12 Selleck S2281 Chrysin 254.058 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 RTIXKCRFFJGDFG-UHFFFAOYSA-N 5281607 BRD-K59284035-001-08-9 chrysophanic-acid 0 93.74 MedChemEx HY-13595 Chrysophanol 254.058 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 LQGUBLBATBMXHT-UHFFFAOYSA-N 10208 BRD-K59284035-001-07-9 chrysophanic-acid 0 96.2 Selleck S2406 Chrysophanic Acid 254.058 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 LQGUBLBATBMXHT-UHFFFAOYSA-N 10208 BRD-K25691735-001-12-9 chuanxiongzine 0 53.91 MedChemEx HY-N0264 Tetramethylpyrazine 136.1 Cc1nc(C)c(C)nc1C FINHMKGKINIASC-UHFFFAOYSA-N 14296 BRD-K25691735-001-09-5 chuanxiongzine 0 97.8 Enzo RD123 Tetramethylpyrazine 136.1 Cc1nc(C)c(C)nc1C FINHMKGKINIASC-UHFFFAOYSA-N 14296 BRD-K83022601-001-01-0 CI-844 0 98.44 ChemImpex 26115 171.068 O(c1ccccc1)c1cccnc1 KDGUIKPOZGYLQJ-UHFFFAOYSA-N 200510 BRD-A50016482-001-01-7 CI-923 0 86.83 Sigma PH001437 "3-[2-(ethylamino)propyl]-1,2,3,4-tetrahydro-5H-chromeno[3,4-c]pyridin-5-one" 286.168 "CCN[C@@H](C)CN1CCc2c(C1)c(=O)oc1ccccc21 |&1:3,r|" MJRICTKAEYTJAV-LBPRGKRZSA-N 76971447 BRD-K00004748-001-01-9 CI-953 0 96.48 MedChemEx HY-101708 1-(2-chloro-6-methylphenyl)-3-(pyridin-4-yl)urea 261.067 Cc1cccc(Cl)c1NC(=O)Nc1ccncc1 ZSBWDKCIIZYQIR-UHFFFAOYSA-N 130178 BRD-K67680372-003-03-4 CI-966 0 93.37 Tocris 1296 CI 966 hydrochloride 473.143 OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3| CMHQDSBIBSKHFP-UHFFFAOYSA-N 198693 BRD-K67680372-003-04-9 CI-966 0 95.39 Tocris 1296 CI 966 hydrochloride 473.143 OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3| CMHQDSBIBSKHFP-UHFFFAOYSA-N 198693 BRD-K67680372-003-02-6 CI-966 0 98.04 Tocris 1296 CI 966 hydrochloride 473.143 OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3| CMHQDSBIBSKHFP-UHFFFAOYSA-N 198693 BRD-K88544581-001-08-7 CI-976 0 97.17 Tocris 2227 CI 976 393.288 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC WAFNZAURAWBNDZ-UHFFFAOYSA-N 122327 BRD-K88544581-001-06-1 CI-976 0 98.32 Tocris 2227 CI 976 393.288 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC WAFNZAURAWBNDZ-UHFFFAOYSA-N 122327 BRD-K88544581-001-09-9 CI-976 0 97.3 Tocris 2227 CI 976 393.288 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC WAFNZAURAWBNDZ-UHFFFAOYSA-N 122327 BRD-K01423020-001-01-2 ciaftalan-zinc 0 22.93 Sigma MFCD00041955 "zinc(II) phthalocyanine-29,31-diide" 576.079 "[Zn]1n2c3\N=C4/N=C(/N=c5\n1\c(=N/C1=N/C(=N\c2c2ccccc32)/c2ccccc12)c1ccccc51)c1ccccc41 |c:3,7,11,15,t:5,13|" PODBBOVVOGJETB-UHFFFAOYSA-N 518924 BRD-K58736316-001-09-5 cianidanol 0 98.72 MicroSource 210205 CIANIDANOL 290.079 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 PFTAWBLQPZVEMU-DZGCQCFKSA-N 9064 BRD-K58736316-001-10-9 cianidanol 0 99.09 MedChemEx HY-N0898 Catechin 290.079 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 PFTAWBLQPZVEMU-DZGCQCFKSA-N 9064 BRD-A20742938-036-03-7 cibenzoline 0 98.93 Sigma C1618 "2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole succinate" 262.147 "C1[C@@H](C2=NCCN2)C1(c1ccccc1)c1ccccc1 |r,t:2|" IPOBOOXFSRWSHL-INIZCTEOSA-N 57357423 BRD-K35245662-001-02-9 ciclesonide 0 85.1 Tocris 6357 Ciclesonide 540.309 "CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C)C1CCCCC1 |c:24,t:20|" LUKZNWIVRBCLON-GXOBDPJESA-N 6918155 BRD-K35245662-001-01-2 ciclesonide 0 98.53 Enzo AC3062 CICLESONIDE 540.309 "CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C)C1CCCCC1 |c:24,t:20|" LUKZNWIVRBCLON-GXOBDPJESA-N 6918155 BRD-K13044802-213-21-5 ciclopirox 0 59.94 MicroSource 1500189 CICLOPIROX OLAMINE 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-K13044802-001-02-4 ciclopirox 0 84.81 Selleck S2528 Ciclopirox 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-K13044802-213-25-6 ciclopirox 0 77.25 Sigma MFCD00078997 6-cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone compound with 2-aminoethanol (1:1) 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-K13044802-001-03-2 ciclopirox 0 93.13 Selleck S2528 Ciclopirox (Penlac) 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-K13044802-213-24-9 ciclopirox 0 70.21 Selleck S3019 Ciclopirox ethanolamine 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-K13044802-213-20-7 ciclopirox 0 84.85 Selleck S3019 Ciclopirox ethanolamine 207.126 Cc1cc(C2CCCCC2)n(O)c(=O)c1 SCKYRAXSEDYPSA-UHFFFAOYSA-N 2749 BRD-A94965935-001-01-6 cicloprofen 0 95.97 Enamine Z2299360563 2-(9H-fluoren-2-yl)propanoic acid 238.099 "C[C@@H](C(O)=O)c1ccc-2c(Cc3ccccc-23)c1 |&1:1,r|" LRXFKKPEBXIPMW-SNVBAGLBSA-N 14694110 BRD-K00004311-001-01-9 CID-16020046 0 98.42 Tocris 4959 CID 16020046 425.138 "Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c12)c1cccc(O)c1)c1ccc(cc1)C(O)=O |&1:14,r|" VGUQVYZXABOXCX-QHCPKHFHSA-N 51436118 BRD-K92781136-001-09-9 CID-2011756 0 96.45 Tocris 4644 CID 2011756 396.124 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1 XQJWTJLJEYIUDZ-UHFFFAOYSA-N 2011756 BRD-K92781136-001-08-9 CID-2011756 0 98.57 Tocris 4644 CID 2011756 396.124 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1 XQJWTJLJEYIUDZ-UHFFFAOYSA-N 2011756 BRD-K06405316-001-03-3 CID-2745687 0 90.54 Tocris 4293 CID 2745687 395.123 COC(=O)c1cnn(c1\C=N\NC(=S)NC(C)(C)C)-c1ccc(F)cc1F CYNLZIBKERMMOA-AWQFTUOYSA-N 9581011 BRD-K06405316-001-04-9 CID-2745687 0 95.19 Tocris 4293 CID 2745687 395.123 COC(=O)c1cnn(c1\C=N\NC(=S)NC(C)(C)C)-c1ccc(F)cc1F CYNLZIBKERMMOA-AWQFTUOYSA-N 9581011 BRD-A08840375-001-01-3 CID-5458317 0 96.86 EMDBio 317496-10MG "Dual Specificity Protein Phosphatase 1/6 Inhibitor, BCI" 317.178 "OC1=c2ccccc2=C(NC2CCCCC2)\C1=C/c1ccccc1 |c:1,t:8|" BJJVCNWHNQAAGB-HMMYKYKNSA-N BRD-K96153583-001-05-1 cidofovir 0 100 Selleck S1516 Cidofovir (Vistide) 279.062 Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 VWFCHDSQECPREK-LURJTMIESA-N 60613 BRD-K96153583-001-04-4 cidofovir 0 0 Selleck S1516 Cidofovir (Vistide) 279.062 Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 VWFCHDSQECPREK-LURJTMIESA-N 60613 BRD-K96153583-001-06-9 cidofovir 0 0 MedChemEx HY-17438 Cidofovir 279.062 Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 VWFCHDSQECPREK-LURJTMIESA-N 60613 BRD-A93000692-001-08-1 ciglitazone 0 96.7 Tocris 1307 Ciglitazone 333.14 CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1 |r| YZFWTZACSRHJQD-OAHLLOKOSA-N 6604850 BRD-K85518562-236-08-9 cilastatin 0 0 AvaChem 1721 "(2Z)-7-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1R)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoic acid" 358.156 CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O DHSUYTOATWAVLW-WFVMDLQDSA-N 6435415 BRD-K62370608-001-02-9 BRD-K85518562-236-09-7 cilastatin 0 0 Tocris 2709 Cilastatin sodium 358.156 CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O DHSUYTOATWAVLW-WFVMDLQDSA-N 6435415 BRD-K26556168-236-01-4 BRD-K96177243-002-04-9 cilazapril 0 96.51 MedChemEx HY-A0043A Cilazapril (monohydrate) 417.226 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O HHHKFGXWKKUNCY-FHWLQOOXSA-N 56330 BRD-K57252450-001-02-5 cilengitide 0 96.22 Selleck S7077 Cilengitide 588.302 CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O AMLYAMJWYAIXIA-VWNVYAMZSA-N 176873 BRD-K00004281-001-01-9 cilnidipine 0 96.47 Tocris 2629 Cilnidipine 492.19 "COCCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |&1:14,r,c:7,12|" KJEBULYHNRNJTE-HGJFNOKFSA-N 28248392 BRD-K00004595-001-01-9 cilofexor 0 94.88 MedChemEx HY-109083 Cilofexor 585.063 OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl KZSKGLFYQAYZCO-UHFFFAOYSA-N 71228883 BRD-K00003550-001-01-9 cilomilast 0 89.36 MedChemEx HY-10790 Cilomilast 343.178 COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r| CFBUZOUXXHZCFB-OYOVHJISSA-N BRD-K28578425-001-09-6 cilostamide 0 91.93 Tocris 915 Cilostamide 342.194 CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1 UIAYVIIHMORPSJ-UHFFFAOYSA-N 2753 BRD-K28578425-001-07-0 cilostamide 0 95.91 Tocris 915 Cilostamide 342.194 CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1 UIAYVIIHMORPSJ-UHFFFAOYSA-N 2753 BRD-K67017579-001-28-1 cilostazol 0 98.71 MicroSource 1505230 CILOSTAZOL 369.216 O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 RRGUKTPIGVIEKM-UHFFFAOYSA-N 2754 BRD-K67017579-001-29-9 cilostazol 0 94.3 Tocris 1692 Cilostazol 369.216 O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 RRGUKTPIGVIEKM-UHFFFAOYSA-N 2754 BRD-K67017579-001-26-5 cilostazol 0 97.14 Selleck S1294 Cilostazol 369.216 O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 RRGUKTPIGVIEKM-UHFFFAOYSA-N 2754 BRD-K67017579-001-27-3 cilostazol 0 98.49 Tocris 1692 Cilostazol 369.216 O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 RRGUKTPIGVIEKM-UHFFFAOYSA-N 2754 BRD-K00004667-001-01-9 ciluprevir 0 0 Adooq A11343.obs1190502 Ciluprevir (BILN 2061) 774.341 COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |c:22| PJZPDFUUXKKDNB-KNINVFKUSA-N 9853710 BRD-A75514485-001-01-9 CIM-0216 0 90.64 Tocris 5521 CIM 0216 347.163 "Cc1cc(NC(=O)[C@@H](N2CCCc3ccccc23)c2ccccc2)no1 |&1:7,r|" KSEXDSJYVSEVGF-FQEVSTJZSA-N 25331887 BRD-A75514485-001-02-9 CIM-0216 0 94.89 Tocris 5521 CIM 0216 347.163 "Cc1cc(NC(=O)[C@@H](N2CCCc3ccccc23)c2ccccc2)no1 |&1:7,r|" KSEXDSJYVSEVGF-FQEVSTJZSA-N 25331887 BRD-A65440446-001-06-9 cimaterol 0 96.13 Tocris 435 Cimaterol 219.137 "CC(C)NC[C@@H](O)c1ccc(N)c(c1)C#N |&1:5,r|" BUXRLJCGHZZYNE-GFCCVEGCSA-N 10911051 BRD-A65440446-001-04-1 cimaterol 0 89.76 Tocris 435 Cimaterol 219.137 "CC(C)NC[C@@H](O)c1ccc(N)c(c1)C#N |&1:5,r|" BUXRLJCGHZZYNE-GFCCVEGCSA-N 10911051 BRD-K34157611-001-21-0 cimetidine 0 95.86 Tocris 902 Cimetidine 252.116 CN\C(NCCSCc1[nH]cnc1C)=N/C#N AQIXAKUUQRKLND-UHFFFAOYSA-N 2756 BRD-K34157611-001-15-2 cimetidine 0 98.79 Tocris 902 Cimetidine 252.116 CN\C(NCCSCc1[nH]cnc1C)=N/C#N AQIXAKUUQRKLND-UHFFFAOYSA-N 2756 BRD-K34157611-001-14-5 cimetidine 0 93.33 Selleck S1845 Cimetidine 252.116 CN\C(NCCSCc1[nH]cnc1C)=N/C#N AQIXAKUUQRKLND-UHFFFAOYSA-N 2756 BRD-K34157611-001-16-0 cimetidine 0 99.16 MicroSource 1500684 CIMETIDINE 252.116 CN\C(NCCSCc1[nH]cnc1C)=N/C#N AQIXAKUUQRKLND-UHFFFAOYSA-N 2756 BRD-A99899486-004-01-9 cimetropium 0 93.27 Sigma MFCD00869708 "(1R,2R,4S,5S)-9-(cyclopropylmethyl)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide" 358.202 "C[N@@+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |a:6,8,10,11,13,17,&1:1,TLB:0:1:7.8.9:11.13,THB:2:1:7.8.9:11.13,12:11:1:7.8.9,12:13:1:7.8.9,14:8:1:11.13|" QVVOZYKELHAIPX-IGDPVYPXSA-N BRD-K73838513-003-05-5 cinacalcet 0 98.81 Selleck S1260 Cinacalcet HCl 357.17 C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 VDHAWDNDOKGFTD-MRXNPFEDSA-N 156419 BRD-K73838513-003-01-4 cinacalcet 0 Selleck S1260 Cinacalcet hydrochloride 357.17 C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 "InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1" 156419 BRD-K73440166-003-02-9 cinaciguat 0 96.81 Tocris 6052 BAY 58-2667 hydrochloride 565.283 OC(=O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O WPYWMXNXEZFMAK-UHFFFAOYSA-N 9808022 BRD-K73440166-001-01-3 cinaciguat 0 97.86 MedChemEx HY-14181 Cinaciguat 565.283 OC(=O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O WPYWMXNXEZFMAK-UHFFFAOYSA-N 9808022 BRD-K53720352-001-05-7 cinalukast 0 92.06 Tocris 2025 Cinalukast 412.182 CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O BZMKNPGKXJAIDV-VAWYXSNFSA-N 6436135 BRD-K53720352-001-04-0 cinalukast 0 81.73 Tocris 2025 "4-{3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino}-2,2-diethyl-4-oxobutanoic acid" 412.182 CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O BZMKNPGKXJAIDV-VAWYXSNFSA-N 6436135 BRD-K53720352-001-03-2 cinalukast 0 81.35 Tocris 2025 Cinalukast 412.182 CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O BZMKNPGKXJAIDV-VAWYXSNFSA-N 6436135 BRD-K40901640-003-06-9 cinanserin 0 97.64 Tocris 460 Cinanserin hydrochloride 340.161 CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 RSUVYMGADVXGOU-BUHFOSPRSA-N 5475158 BRD-K40901640-003-01-6 cinanserin 0 96.6 Tocris 460 Cinanserin hydrochloride 340.161 CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 RSUVYMGADVXGOU-BUHFOSPRSA-N 5475158 BRD-K99121711-003-20-5 cinchocaine 0 96.29 MicroSource 1500236 DIBUCAINE HYDROCHLORIDE 343.226 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 PUFQVTATUTYEAL-UHFFFAOYSA-N 3025 BRD-K99121711-001-21-9 cinchocaine 0 97.32 MedChemEx HY-B0552 Dibucaine 343.226 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 PUFQVTATUTYEAL-UHFFFAOYSA-N 3025 BRD-K99121711-003-19-7 cinchocaine 0 96.87 Selleck S4038 Dibucaine HCl 343.226 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 PUFQVTATUTYEAL-UHFFFAOYSA-N 3025 BRD-K39079086-001-06-8 cinchonidine 0 91.75 MicroSource 1500839 CINCHONIDINE 294.173 O[C@@H]([C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 KMPWYEUPVWOPIM-KODHJQJWSA-N 101744 BRD-K39079086-001-08-9 cinchonidine 0 86.44 MedChemEx HY-N0173 Cinchonidine 294.173 O[C@@H]([C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 KMPWYEUPVWOPIM-KODHJQJWSA-N 101744 BRD-K39079086-001-07-6 cinchonidine 0 93.36 Selleck S2282 Cinchonidine 294.173 O[C@@H]([C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 KMPWYEUPVWOPIM-KODHJQJWSA-N 101744 BRD-A54537387-001-02-2 BRD-K36551084-001-04-9 cinchonine 0 85.43 MedChemEx HY-Y0152 Cinchonine 294.173 O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 KMPWYEUPVWOPIM-QAMTZSDWSA-N 90454 BRD-K72915123-001-19-9 cinchophen 0 98.3 MedChemEx HY-B0972 Cinchophen 249.079 OC(=O)c1cc(nc2ccccc12)-c1ccccc1 YTRMTPPVNRALON-UHFFFAOYSA-N 8593 BRD-K72915123-001-18-1 cinchophen 0 99.45 MicroSource 1504508 CINCHOPHEN 249.079 OC(=O)c1cc(nc2ccccc12)-c1ccccc1 YTRMTPPVNRALON-UHFFFAOYSA-N 8593 BRD-K72915123-001-17-3 cinchophen 0 97.91 Selleck S4190 Cinchophen 249.079 OC(=O)c1cc(nc2ccccc12)-c1ccccc1 YTRMTPPVNRALON-UHFFFAOYSA-N 8593 BRD-K00531707-001-01-3 cinepazet 0 95.1 Sigma MFCD00864685 "ethyl {4-[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinyl}acetate" 392.195 CCOC(=O)CN1CCN(CC1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 XDUOTWNXVDBCDY-VOTSOKGWSA-N 6434395 BRD-K46839850-050-06-9 cinepazide 0 95.46 MedChemEx HY-66010 Cinepazide (Maleate) 417.226 COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC RCUDFXMNPQNBDU-VOTSOKGWSA-N 5282459 BRD-K46839850-050-04-2 cinepazide 0 87.2 Selleck S3045 Cinepazide maleate 417.226 COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC RCUDFXMNPQNBDU-VOTSOKGWSA-N 5282459 BRD-K46839850-050-05-9 cinepazide 0 99.15 Selleck S3045 Cinepazide maleate 417.226 COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC RCUDFXMNPQNBDU-VOTSOKGWSA-N 5282459 BRD-K25154476-001-01-4 cinflumide 0 89.23 Enamine Z32368088 (2E)-N-cyclopropyl-3-(3-fluorophenyl)-2-propenamide 205.09 Fc1cccc(\C=C\C(=O)NC2CC2)c1 NCOOUEIQXVWKTO-QPJJXVBHSA-N 6434871 BRD-K26875402-001-13-9 cinnamaldehyde 0 86.3 MedChemEx HY-N0609 Cinnamaldehyde 132.058 O=C\C=C\c1ccccc1 KJPRLNWUNMBNBZ-QPJJXVBHSA-N 637511 BRD-K07220430-001-20-9 cinnarazine 0 98.35 MedChemEx HY-B1090 Cinnarizine 368.225 C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 DERZBLKQOCDDDZ-JLHYYAGUSA-N 1547484 BRD-K07220430-001-19-2 cinnarazine 0 98.16 MicroSource 1503204 CINNARAZINE 368.225 C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 DERZBLKQOCDDDZ-JLHYYAGUSA-N 1547484 BRD-K32256916-001-04-0 BRD-K07220430-001-18-4 cinnarazine 0 96.64 ChemDiv R033-0071 368.225 C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 DERZBLKQOCDDDZ-JLHYYAGUSA-N 1547484 BRD-K00003354-001-01-9 cinobufotalin 0 89.74 MedChemEx HY-N0880 Cinobufotalin 458.23 [H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@@H](OC(C)=O)[C@H]3O[C@@]213)c1ccc(=O)oc1 KBKUJJFDSHBPPA-ZNCGZLKOSA-N 259776 BRD-K08699567-001-01-9 cinoctramide 0 0 MicroSource 1506186 CINOCTRAMIDE 333.194 COc1cc(\C=C\C(=O)N2CCCCCCC2)cc(OC)c1OC MDGVCMGGLSOVIQ-MDZDMXLPSA-N 6443803 BRD-K15901271-001-01-7 BRD-K08699567-001-02-9 cinoctramide 0 95.05 MedChemEx HY-B1084 Cinoctramide 333.194 COc1cc(\C=C\C(=O)N2CCCCCCC2)cc(OC)c1OC MDGVCMGGLSOVIQ-MDZDMXLPSA-N 6443803 BRD-K14704277-001-23-4 cinoxacin 0 73.09 MicroSource 1500190 CINOXACIN 262.059 CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12 VDUWPHTZYNWKRN-UHFFFAOYSA-N 2762 BRD-K14704277-001-22-6 cinoxacin 0 93.53 Selleck S4361 Cinoxacin 262.059 CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12 VDUWPHTZYNWKRN-UHFFFAOYSA-N 2762 BRD-K17828029-001-02-9 cinoxate 0 86.65 Sigma MFCD00868209 Cinoxate 250.121 CCOCCOC(=O)\C=C\c1ccc(OC)cc1 CMDKPGRTAQVGFQ-RMKNXTFCSA-N 5373773 BRD-K17828029-001-01-5 cinoxate 0 95.2 Enamine Z53833825 250.121 CCOCCOC(=O)\C=C\c1ccc(OC)cc1 CMDKPGRTAQVGFQ-RMKNXTFCSA-N 5373773 BRD-K24570280-001-01-8 CINPA-1 0 93.64 Tocris 5605 CINPA 1 395.221 CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1 AYQBYSPEGRYKFA-UHFFFAOYSA-N 969470 BRD-K24570280-001-07-9 CINPA-1 0 94.15 Tocris 5605 CINPA 1 395.221 CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1 AYQBYSPEGRYKFA-UHFFFAOYSA-N 969470 BRD-K66241279-001-01-8 cinromide 0 99.12 MicroSource 1502552 CINROMIDE 253.01 CCNC(=O)\C=C\c1cccc(Br)c1 LDCXGZCEMNMWIL-VOTSOKGWSA-N 688145 BRD-K66241279-001-02-9 cinromide 0 98.07 MedChemEx HY-B1274 Cinromide 253.01 CCNC(=O)\C=C\c1cccc(Br)c1 LDCXGZCEMNMWIL-VOTSOKGWSA-N 688145 BRD-K00003458-001-01-9 cintirorgon 0 95.2 MedChemEx HY-104037 Cintirorgon 603.115 CC(C)(C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)cc(OC(F)F)c1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O GULSIMHVQYBADX-FQEVSTJZSA-N 124126348 BRD-K24507548-001-01-8 cintriamide 0 97.46 MicroSource 1502553 CINTRIAMIDE 237.1 COc1cc(\C=C\C(N)=O)cc(OC)c1OC LRLKZVMLJBNNPE-SNAWJCMRSA-N 6154037 BRD-K00004625-001-01-9 cipamfylline 0 85.94 Sigma SML0366 "8-amino-1,3-bis(cyclopropylmethyl)-3,7-dihydro-1H-purine-2,6-dione" 275.138 Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1 KSPYMJJKQMWWNB-UHFFFAOYSA-N 71356 BRD-K27811785-001-02-9 cipargamin 0 95.43 MedChemEx HY-14430 Cipargamin 389.05 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 CKLPLPZSUQEDRT-WPCRTTGESA-N 44469321 BRD-K95362002-001-01-1 cipemastat 0 86.65 Tocris 2916 "(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-(1-piperidinyl)-2-[(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)methyl]butanamide" 436.269 CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C GFUITADOEPNRML-SJORKVTESA-N 9824350 BRD-A49358627-001-14-6 ciprofibrate 0 96.78 MicroSource 1502008 CIPROFIBRATE 288.032 "CC(C)(Oc1ccc(cc1)[C@H]1CC1(Cl)Cl)C(O)=O |&1:10,r|" KPSRODZRAIWAKH-SNVBAGLBSA-N 9882424 BRD-A49358627-001-13-8 ciprofibrate 0 91.39 Selleck S2665 Ciprofibrate 288.032 "CC(C)(Oc1ccc(cc1)[C@H]1CC1(Cl)Cl)C(O)=O |&1:10,r|" KPSRODZRAIWAKH-SNVBAGLBSA-N 9882424 BRD-K04804440-001-09-5 ciprofloxacin 0 88.24 MicroSource 1503614 CIPROFLOXACIN 331.133 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O MYSWGUAQZAJSOK-UHFFFAOYSA-N 4011971 BRD-K04804440-001-13-7 ciprofloxacin 0 98.2 Selleck S2027 Ciprofloxacin (Cipro) 331.133 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O MYSWGUAQZAJSOK-UHFFFAOYSA-N 4011971 BRD-K04804440-001-08-7 ciprofloxacin 0 50.83 Selleck S2027 Ciprofloxacin (Cipro) 331.133 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O MYSWGUAQZAJSOK-UHFFFAOYSA-N 4011971 BRD-K01767299-050-03-9 ciproxifan 0 98.18 MedChemEx HY-15289 Ciproxifan (maleate) 270.137 O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 ACQBHJXEAYTHCY-UHFFFAOYSA-N 6422124 BRD-K01767299-050-02-1 ciproxifan 0 94.57 Selleck S2813 Ciproxifan 270.137 O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 ACQBHJXEAYTHCY-UHFFFAOYSA-N 6422124 BRD-A35425966-001-02-3 CIQ 0 98.05 Tocris 4105 CIQ 467.15 "COc1ccc(OC[C@H]2N(CCc3cc(OC)c(OC)cc23)C(=O)c2cccc(Cl)c2)cc1 |&1:8,r|" VYMILMYEENZHAR-HSZRJFAPSA-N 40450008 BRD-A35425966-001-01-5 CIQ 0 99.27 Sigma SML0229 CIQ 467.15 "COc1ccc(OC[C@H]2N(CCc3cc(OC)c(OC)cc23)C(=O)c2cccc(Cl)c2)cc1 |&1:8,r|" VYMILMYEENZHAR-HSZRJFAPSA-N 40450008 BRD-K54142781-003-13-4 cirazoline 0 83.93 Tocris 888 Cirazoline hydrochloride 216.126 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13| YAORIDZYZDUZCM-UHFFFAOYSA-N 2765 BRD-K54142781-003-11-8 cirazoline 0 92.59 Tocris 888 Cirazoline hydrochloride 216.126 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13| YAORIDZYZDUZCM-UHFFFAOYSA-N 2765 BRD-K80025777-001-01-4 "cis-9,trans-11-conjugated-linoleic-acid" 0 96.37 Enzo BL119 "9(E),11(Z)-Octadecadienoic acid" 280.24 CCCCCC\C=C\C=C/CCCCCCCC(O)=O JBYXPOFIGCOSSB-GOJKSUSPSA-N 5280644 BRD-K80025777-001-05-9 "cis-9,trans-11-conjugated-linoleic-acid" 0 0 Sigma MFCD00211047 "Conjugated (9Z,11E)-Linoleic acid" 280.24 CCCCCC\C=C\C=C/CCCCCCCC(O)=O JBYXPOFIGCOSSB-GOJKSUSPSA-N 5280644 BRD-K71756122-001-02-5 cis-aconitic-acid 1 0 Enamine Z57204893 174.016 OC(=O)C\C(=C\C(O)=O)C(O)=O GTZCVFVGUGFEME-IWQZZHSRSA-N 643757 BRD-K00004205-001-01-9 cis-ACPD 0 100 Tocris 186 cis-ACPD 173.069 "[H][C@]1(CC[C@@](N)(C1)C(O)=O)C(O)=O |&1:1,4,r|" YFYNOWXBIBKGHB-CLZZGJSISA-N 231345 BRD-K41962502-001-01-8 "cis-exo-camphanediol-2,3" 0 0 Sigma MFCD07784411 "(1S,2R,3S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol" 170.131 CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O AYEOSGBMQHXVER-AZQAYCESSA-N 21626088 BRD-K52670952-003-02-2 cis-urocanic-acid 0 100 Enamine Z607808534 138.043 OC(=O)\C=C\c1cnc[nH]1 LOIYMIARKYCTBW-OWOJBTEDSA-N 736715 BRD-K52670952-003-01-4 cis-urocanic-acid 0 78.28 Enamine Z607808534 138.043 OC(=O)\C=C\c1cnc[nH]1 LOIYMIARKYCTBW-OWOJBTEDSA-N 736715 BRD-K25146005-001-01-0 cis-urocanic-acid 0 96.8 Sigma MFCD11045310 (2Z)-3-(1H-imidazol-4-yl)-2-propenoic acid 138.043 OC(=O)\C=C/c1cnc[nH]1 LOIYMIARKYCTBW-UPHRSURJSA-N 1549103 BRD-K06895174-001-03-6 cisapride 0 98.57 Tocris 1695 Cisapride 465.183 CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC DCSUBABJRXZOMT-IRLDBZIGSA-N 6917698 BRD-K06895174-001-04-9 cisapride 0 97.38 Tocris 1695 Cisapride 465.183 CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC DCSUBABJRXZOMT-IRLDBZIGSA-N 6917698 BRD-K06895174-001-02-8 cisapride 0 97.58 Tocris 1695 Cisapride 465.183 CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC DCSUBABJRXZOMT-IRLDBZIGSA-N 6917698 BRD-K17498618-344-04-9 cisatracurium 0 0 MedChemEx HY-13596 Cisatracurium (besylate) 928.509 COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC YXSLJKQTIDHPOT-LJCJQEJUSA-N 62887 BRD-K17498618-344-03-4 cisatracurium 0 64.92 Selleck S2113 Cisatracurium besylate (Nimbex) 928.509 COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC YXSLJKQTIDHPOT-LJCJQEJUSA-N 62887 BRD-K17498618-344-02-6 cisatracurium 0 88.16 Selleck S2113 Cisatracurium Besylate 928.509 COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC YXSLJKQTIDHPOT-LJCJQEJUSA-N 62887 BRD-K69172251-001-10-5 cisplatin 1 0 MicroSource 1502107 CISPLATIN 296.94 N[Pt](N)(Cl)Cl DQLATGHUWYMOKM-UHFFFAOYSA-L 86820626 BRD-K01228321-318-04-3 BRD-K69172251-001-11-3 cisplatin 1 0 Selleck S1166 Cisplatin 296.94 N[Pt](N)(Cl)Cl DQLATGHUWYMOKM-UHFFFAOYSA-L 86820626 BRD-K69172251-001-09-7 cisplatin 1 0 Tocris 2251 Cisplatin 296.94 N[Pt](N)(Cl)Cl DQLATGHUWYMOKM-UHFFFAOYSA-L 86820626 BRD-K33494261-407-01-2 BRD-K69172251-001-08-9 cisplatin 1 0 Selleck S1166 Cisplatin 296.94 N[Pt](N)(Cl)Cl DQLATGHUWYMOKM-UHFFFAOYSA-L 86820626 BRD-A47598013-004-17-8 citalopram 0 96.19 MicroSource 1504172 CITALOPRAM HYDROBROMIDE 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |&1:6| WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-A47598013-004-18-6 citalopram 0 96.48 Enamine Z905064078 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |&1:6| WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-A47598013-004-16-0 citalopram 0 97.27 Tocris 1427 Citalopram hydrobromide 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |&1:6| WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-K00003202-001-01-9 citarinostat 0 96.59 MedChemEx HY-15994 Citarinostat 467.172 ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl VLIUIBXPEDFJRF-UHFFFAOYSA-N 53340426 BRD-K53263234-001-06-0 CITCO 0 94.15 Tocris 3683 CITCO 434.977 Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1 ZQWBOKJVVYNKTL-AUEPDCJTSA-N 9600409 BRD-K53263234-001-05-2 CITCO 0 89.03 Tocris 3683 CITCO 434.977 Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1 ZQWBOKJVVYNKTL-AUEPDCJTSA-N 9600409 BRD-K53263234-001-07-9 CITCO 0 97.77 Tocris 3683 CITCO 434.977 Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1 ZQWBOKJVVYNKTL-AUEPDCJTSA-N 9600409 BRD-K01827268-396-12-9 citicoline 0 0 MicroSource 1505244 489.115 "C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O |a:16,18,19,21,&1:7,&2:11|" RZZPDXZPRHQOCG-OJAKKHQRSA-O 13805 BRD-A74441166-396-01-6 BRD-K01827268-236-03-9 citicoline 0 99.5 Cayman 14629 512.105 "C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O |a:16,18,19,21,&1:7,&2:11|" RZZPDXZPRHQOCG-OJAKKHQRSA-O 13805 BRD-A57957888-001-08-0 citiolone 0 94.67 MicroSource 1503205 CITIOLONE 159.035 "CC(=O)N[C@H]1CCSC1=O |&1:4,r|" NRFJZTXWLKPZAV-YFKPBYRVSA-N 7057882 BRD-K76792669-001-08-1 citric-acid 0 0 Sigma MFCD00150031 "trisodium 2-hydroxy-1,2,3-propanetricarboxylate dihydrate" 192.027 OC(=O)CC(O)(CC(O)=O)C(O)=O KRKNYBCHXYNGOX-UHFFFAOYSA-N 88113319 BRD-M87682871-001-01-8 BRD-K21306330-001-01-0 CJ-033466 0 87.64 Tocris 3089 CJ 033466 377.198 CC(C)CN1CCC(CNC(=O)c2cc(Cl)c(N)n3cc(C)nc23)CC1 ISKHMDNIWXPUGR-UHFFFAOYSA-N 10429706 BRD-K21306330-001-02-9 CJ-033466 0 90.58 Tocris 3089 CJ 033466 377.198 CC(C)CN1CCC(CNC(=O)c2cc(Cl)c(N)n3cc(C)nc23)CC1 ISKHMDNIWXPUGR-UHFFFAOYSA-N 10429706 BRD-K00004624-001-01-9 CJ-13610 0 96.54 Sigma SML0187 4-(3-{[4-(2-methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide 393.151 Cc1nccn1-c1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1 VPTONMHDLLMOOV-UHFFFAOYSA-N 9821945 BRD-K00005246-001-01-9 CK-101 0 95.24 MedChemEx HY-19815 RX- 518 530.224 OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1F IDRGFNPZDVBSSE-UHFFFAOYSA-N 117909640 BRD-K81572616-001-01-9 CK-636 0 79.68 Selleck S7497 CK-636 284.098 Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1 ACAKNPKRLPMONU-UHFFFAOYSA-N 588963 BRD-K81572616-001-02-7 CK-636 0 84.46 Selleck S7497 CK-636 284.098 Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1 ACAKNPKRLPMONU-UHFFFAOYSA-N 588963 BRD-K81572616-001-03-9 CK-636 0 95.64 MedChemEx HY-15892 CK-636 284.098 Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1 ACAKNPKRLPMONU-UHFFFAOYSA-N 588963 BRD-A26458246-004-02-1 CKD-712 0 93.15 MedChemEx HY-15477 YS-49 305.142 Oc1cc2CCN[C@@H](Cc3cccc4ccccc34)c2cc1O |&1:7| YGCQFKVNIBDJFW-SFHVURJKSA-N 9861304 BRD-A26458246-004-01-3 CKD-712 0 22.25 MedChemEx HY-15477 YS-49 305.142 Oc1cc2CCN[C@@H](Cc3cccc4ccccc34)c2cc1O |&1:7| YGCQFKVNIBDJFW-SFHVURJKSA-N 9861304 BRD-K34303607-300-02-2 CKI-7 0 93.33 Tocris 5329 CKI 7 dihydrochloride 285.034 NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12 OGKYMFFYOWUTKV-UHFFFAOYSA-N 129236 BRD-K34303607-300-01-4 CKI-7 0 Sigma C0742 CKI-7 dihydrochloride 285.034 NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12 OGKYMFFYOWUTKV-UHFFFAOYSA-N 129236 BRD-K00662280-001-10-2 CL-218872 0 98.21 Tocris 1709 CL 218872 278.078 Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F GUOQUXNJZHGPQF-UHFFFAOYSA-N 107950 BRD-K00662280-001-11-9 CL-218872 0 93.47 Tocris 1709 CL 218872 278.078 Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F GUOQUXNJZHGPQF-UHFFFAOYSA-N 107950 BRD-K00662280-001-09-4 CL-218872 0 97.94 Tocris 1709 CL 218872 278.078 Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F GUOQUXNJZHGPQF-UHFFFAOYSA-N 107950 BRD-K87573013-001-01-0 CL-225385 0 96.85 Enamine EN300-17202 3-oxo-3-phenylpropanenitrile 145.053 O=C(CC#N)c1ccccc1 ZJRCIQAMTAINCB-UHFFFAOYSA-N 64799 BRD-K06467130-304-02-7 CL316243 0 96.36 Tocris 1499 "disodium 5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)-1,3-benzodioxole-2,2-dicarboxylate" 421.093 C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 JEDJMKTVUPSHFW-ABAIWWIYSA-N 5486546 BRD-K93034159-001-31-9 cladribine 0 96.63 Tocris 5292 Cladribine 285.063 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 PTOAARAWEBMLNO-KVQBGUIXSA-N 20279 BRD-K93034159-001-25-8 cladribine 0 98.23 Selleck S1199 Cladribine 285.063 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 PTOAARAWEBMLNO-KVQBGUIXSA-N 20279 BRD-K00004576-001-01-9 clamikalant 0 95.3 Astatech AB8954 CLAMIKALANT 471.069 CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC VXTKXGKPBOLHRY-UHFFFAOYSA-N 3037766 BRD-K62378877-001-05-9 clanfenur 0 91.68 AMS O33768 Clanfenur 335.084 CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 SRLPZQAEBMZCIJ-UHFFFAOYSA-N 68684 BRD-K49668410-001-16-2 clarithromycin 0 100 MicroSource 1504231 CLARITHROMYCIN 747.477 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC AGOYDEPGAOXOCK-AAFHZFQRSA-N BRD-K49668410-001-18-8 clarithromycin 0 100 Selleck S2555 Clarithromycin 747.477 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC AGOYDEPGAOXOCK-AAFHZFQRSA-N BRD-K16762525-001-01-6 BRD-K49668410-001-20-9 clarithromycin 0 99.1 MedChemEx HY-17508 Clarithromycin 747.477 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC AGOYDEPGAOXOCK-AAFHZFQRSA-N BRD-K94250879-235-03-9 clavulanate 0 0 MicroSource 1505124 CLAVULANATE LITHIUM 199.048 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O HZZVJAQRINQKSD-PBFISZAISA-N 5280980 BRD-K94250879-001-01-9 clavulanate 0 0 AvaChem 1995 "(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" 199.048 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O HZZVJAQRINQKSD-PBFISZAISA-N 5280980 BRD-K17294426-050-12-3 clebopride 0 99.18 Prestwick Prestw-380 Clebopride maleate 373.156 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 BVPWJMCABCPUQY-UHFFFAOYSA-N 2780 BRD-K17294426-037-13-9 clebopride 0 98.64 MedChemEx HY-B1613A Clebopride (malate) 373.156 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 BVPWJMCABCPUQY-UHFFFAOYSA-N 2780 BRD-K30240666-051-16-7 clemastine 0 91 Tocris 1453 Clemastine fumarate 343.17 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 YNNUSGIPVFPVBX-NHCUHLMSSA-N 26987 BRD-K30240666-051-15-9 clemastine 0 96.36 MicroSource 1500191 CLEMASTINE FUMARATE 343.17 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 YNNUSGIPVFPVBX-NHCUHLMSSA-N 26987 BRD-K30240666-051-17-9 clemastine 0 94.51 Tocris 1453 Clemastine fumarate 343.17 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 YNNUSGIPVFPVBX-NHCUHLMSSA-N 26987 BRD-K30240666-051-13-4 clemastine 0 91.1 Selleck S1847 Clemastine Fumarate 343.17 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 YNNUSGIPVFPVBX-NHCUHLMSSA-N 26987 BRD-K30240666-051-14-2 clemastine 0 93.62 Tocris 1453 Clemastine fumarate 343.17 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 YNNUSGIPVFPVBX-NHCUHLMSSA-N 26987 BRD-K04704168-003-15-0 clemizole 0 97.9 Tocris 5371 Clemizole hydrochloride 325.135 Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1 CJXAEXPPLWQRFR-UHFFFAOYSA-N 2782 BRD-K04704168-003-16-9 clemizole 0 97.45 Tocris 5371 Clemizole hydrochloride 325.135 Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1 CJXAEXPPLWQRFR-UHFFFAOYSA-N 2782 BRD-K04704168-003-14-3 clemizole 0 97.65 MicroSource 1505990 CLEMIZOLE HYDROCHLORIDE 325.135 Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1 CJXAEXPPLWQRFR-UHFFFAOYSA-N 2782 BRD-K00003701-003-01-9 clenbuterol 0 98.15 MedChemEx HY-B1614 Clenbuterol hydrochloride 276.08 CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 |r| STJMRWALKKWQGH-SNVBAGLBSA-N 688428 BRD-A01563671-001-02-7 cleviprex 0 96.26 Selleck S2080 Clevidipine Butyrate 455.09 "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)C(=O)OC |&1:17,r,c:10,15|" KPBZROQVTHLCDU-SFHVURJKSA-N 22884799 BRD-A01563671-001-03-9 cleviprex 0 97.71 MedChemEx HY-17436 Clevidipine 455.09 "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)C(=O)OC |&1:17,r,c:10,15|" KPBZROQVTHLCDU-SFHVURJKSA-N 22884799 BRD-K00003562-001-01-9 clevudine 0 97.96 MedChemEx HY-13859 Clevudine 260.081 Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O GBBJCSTXCAQSSJ-XQXXSGGOSA-N 73115 BRD-K01827265-004-09-9 clidinium 0 99.37 MicroSource 1500192 CLIDINIUM BROMIDE 432.117 "C[N+]12CCC(CC1)[C@@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:7,THB:9:7:2.3:5.6|" HOOSGZJRQIVJSZ-WEQDKIBNSA-N 24867263 BRD-K01827265-004-10-9 clidinium 0 97.06 Selleck S5480 CLIDINIUM BROMIDE 432.117 "C[N+]12CCC(CC1)[C@@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:7,THB:9:7:2.3:5.6|" HOOSGZJRQIVJSZ-WEQDKIBNSA-N 24867263 BRD-A61676498-001-06-6 climbazole 0 99.56 MicroSource 1504833 CLIMBAZOLE 292.098 "CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1 |&1:6,r|" OWEGWHBOCFMBLP-CQSZACIVSA-N 25734913 BRD-A61676498-001-05-8 climbazole 0 96.63 Selleck S4178 Climbazole 292.098 "CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1 |&1:6,r|" OWEGWHBOCFMBLP-CQSZACIVSA-N 25734913 BRD-K01825499-003-02-9 clinafloxacin 0 93.62 Selleck S4315 Clinafoxacin HCl 401.071 N[C@H]1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 |&1:1| QGPKADBNRMWEQR-QMMMGPOBSA-N 969489 BRD-K01825499-003-03-9 clinafloxacin 0 98.71 MicroSource 1504834 CLINAFOXACIN HYDROCHLORIDE 401.071 N[C@H]1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1 |&1:1| QGPKADBNRMWEQR-QMMMGPOBSA-N 969489 BRD-K23586533-003-04-9 clindamycin 0 92 Tocris 4822 Clindamycin hydrochloride 424.18 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O KDLRVYVGXIQJDK-AWPVFWJPSA-N 446598 BRD-K23586533-003-01-6 clindamycin 0 96.48 MicroSource 1500193 CLINDAMYCIN HYDROCHLORIDE 424.18 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O KDLRVYVGXIQJDK-AWPVFWJPSA-N 446598 BRD-A23034328-003-09-1 BRD-K23586533-001-03-6 clindamycin 0 100 Selleck S2830 Clindamycin 424.18 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O KDLRVYVGXIQJDK-AWPVFWJPSA-N 446598 BRD-A43673346-001-01-1|BRD-A52252998-001-01-3 BRD-K23586533-003-02-4 clindamycin 0 99.38 Selleck S2457 Clindamycin HCl 424.18 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O KDLRVYVGXIQJDK-AWPVFWJPSA-N 446598 BRD-A43673346-003-01-7|BRD-A52252998-003-01-9 BRD-K10759270-003-01-1 clindamycin-palmitate 0 98.5 Selleck S2596 Clindamycin palmitate HCl 662.41 CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1SC)[C@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)[C@H](C)Cl OYSKUZDIHNKWLV-PRUAPSLNSA-N 16052039 BRD-K27771035-001-02-5 clindamycin-phosphate 0 100 Selleck S2048 Clindamycin phosphate 504.146 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O UFUVLHLTWXBHGZ-MGZQPHGTSA-N 443385 BRD-K52542745-001-01-1 BRD-K27771035-001-04-1 clindamycin-phosphate 0 100 Selleck S2048 Clindamycin phosphate 504.146 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O UFUVLHLTWXBHGZ-MGZQPHGTSA-N 443385 BRD-A90625545-001-03-9 clinofibrate 0 96.83 MedChemEx HY-13528 Clinofibrate 468.251 "CCC(C)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(O[C@](C)(CC)C(O)=O)cc1)C(O)=O |&1:22,&2:2,r|" BMOVQUBVGICXQN-AVJYQCBHSA-N BRD-A90625545-001-02-0 clinofibrate 0 94.72 Selleck S2664 Clinofibrate 468.251 "CCC(C)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(O[C@](C)(CC)C(O)=O)cc1)C(O)=O |&1:22,&2:2,r|" BMOVQUBVGICXQN-AVJYQCBHSA-N BRD-K09255212-001-16-6 clioquinol 0 91.44 MicroSource 1505114 CLIOQUINOL 304.91 Oc1c(I)cc(Cl)c2cccnc12 QCDFBFJGMNKBDO-UHFFFAOYSA-N 2788 BRD-K71430621-303-04-9 clobenpropit 0 97 Tocris 752 Clobenpropit dihydrobromide 308.086 Clc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1 UCAIEVHKDLMIFL-UHFFFAOYSA-N 2790 BRD-K71430621-303-02-3 clobenpropit 0 97.23 Tocris 752 Clobenpropit dihydrobromide 308.086 Clc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1 UCAIEVHKDLMIFL-UHFFFAOYSA-N 2790 BRD-K10799896-001-24-7 clobetasol-propionate 0 98 Sigma C8037 "(11beta,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate" 466.192 "CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|" CBGUOGMQLZIXBE-XGQKBEPLSA-N 32798 BRD-K10799896-001-26-2 clobetasol-propionate 0 98.73 MicroSource 1503918 CLOBETASOL PROPIONATE 466.192 "CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|" CBGUOGMQLZIXBE-XGQKBEPLSA-N 32798 BRD-A26095496-001-04-0 BRD-K10799896-001-25-4 clobetasol-propionate 0 94.01 Selleck S2584 Clobetasol propionate 466.192 "CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|" CBGUOGMQLZIXBE-XGQKBEPLSA-N 32798 BRD-K91981767-001-01-7|BRD-K84443303-001-02-6 BRD-K58810291-001-16-2 clobetasone-butyrate 0 93.44 Sigma MFCD00133196 "(16beta)-21-chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl butyrate" 478.192 "CCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C)C(=O)CCl |c:18,t:14|" FBRAWBYQGRLCEK-AVVSTMBFSA-N 71386 BRD-A43809092-003-02-1 clobutinol 0 96.04 Prestwick Prestw-1380 Clobutinol hydrochloride 255.139 "C[C@@H](CN(C)C)C(C)(O)Cc1ccc(Cl)cc1 |&1:1,&2:6|" KVHHQGIIZCJATJ-ZSOXZCCMSA-N BRD-K38003476-001-09-1 clocortolone-pivalate 0 98.68 Prestwick Prestw-1119 Clocortolone pivalate 494.224 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C |c:12,t:8|" SXYZQZLHAIHKKY-GSTUPEFVSA-N 5282493 BRD-K38003476-001-10-9 clocortolone-pivalate 0 95.15 USP 1138507 Clocortolone pivalate 494.224 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C |c:12,t:8|" SXYZQZLHAIHKKY-GSTUPEFVSA-N 5282493 BRD-K72542090-304-02-4 clodronic-acid 1 0 Selleck S4108 Clodronate Disodium 243.886 OP(O)(=O)C(Cl)(Cl)P(O)(O)=O ACSIXWWBWUQEHA-UHFFFAOYSA-N 25419 BRD-K72542090-304-04-0 clodronic-acid 1 0 Selleck S4108 Clodronate Disodium 243.886 OP(O)(=O)C(Cl)(Cl)P(O)(O)=O ACSIXWWBWUQEHA-UHFFFAOYSA-N 25419 BRD-K72542090-304-03-2 clodronic-acid 1 0 Selleck S4108 Clodronate Disodium 243.886 OP(O)(=O)C(Cl)(Cl)P(O)(O)=O ACSIXWWBWUQEHA-UHFFFAOYSA-N 25419 BRD-K34022604-001-09-0 clofarabine 0 96.64 Tocris 2600 Clofarabine 303.053 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F WDDPHFBMKLOVOX-AYQXTPAHSA-N 119182 BRD-K34022604-001-06-6 clofarabine 0 98.71 Tocris 2600 Clofarabine 303.053 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F WDDPHFBMKLOVOX-AYQXTPAHSA-N 119182 BRD-K34022604-001-05-8 clofarabine 0 97.93 Selleck S1218 Clofarabine 303.053 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F WDDPHFBMKLOVOX-AYQXTPAHSA-N 119182 BRD-K56614220-001-19-0 clofazimine 0 86.22 MicroSource 1505974 CLOFAZIMINE 472.122 CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 WDQPAMHFFCXSNU-BGABXYSRSA-N BRD-K56614220-001-18-2 clofazimine 0 75.58 Selleck S4107 Clofazimine 472.122 CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 WDQPAMHFFCXSNU-BGABXYSRSA-N BRD-K56614220-001-21-6 clofazimine 0 60.68 Selleck S4107 Clofazimine 472.122 CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 WDQPAMHFFCXSNU-BGABXYSRSA-N BRD-A15687940-001-05-6 clofedanol 0 97.05 Sigma PH010350 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenyl-1-propanol 289.123 "CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl |&1:5,r|" WRCHFMBCVFFYEQ-QGZVFWFLSA-N 688422 BRD-K45252063-001-13-6 clofibrate 0 99.05 MicroSource 1503429 CLOFIBRATE 242.071 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 KNHUKKLJHYUCFP-UHFFFAOYSA-N 2796 BRD-K45252063-001-14-4 clofibrate 0 0 Selleck S1820 Clofibrate 242.071 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 KNHUKKLJHYUCFP-UHFFFAOYSA-N 2796 BRD-K45252063-001-12-8 clofibrate 0 0 Selleck S1820 Clofibrate (Atromid-S) 242.071 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 KNHUKKLJHYUCFP-UHFFFAOYSA-N 2796 BRD-K19111024-001-20-9 clofibric-acid 0 98.95 MicroSource 1500195 CLOFIBRIC ACID 214.04 CC(C)(Oc1ccc(Cl)cc1)C(O)=O TXCGAZHTZHNUAI-UHFFFAOYSA-N 2797 BRD-K19111024-001-22-9 clofibric-acid 0 78.72 Tocris 825 Clofibric acid 214.04 CC(C)(Oc1ccc(Cl)cc1)C(O)=O TXCGAZHTZHNUAI-UHFFFAOYSA-N 2797 BRD-K19111024-001-19-1 clofibric-acid 0 96.53 Tocris 825 Clofibric acid 214.04 CC(C)(Oc1ccc(Cl)cc1)C(O)=O TXCGAZHTZHNUAI-UHFFFAOYSA-N 2797 BRD-K19111024-001-18-3 clofibric-acid 0 91.2 Selleck S4207 Clofibric Acid 214.04 CC(C)(Oc1ccc(Cl)cc1)C(O)=O TXCGAZHTZHNUAI-UHFFFAOYSA-N 2797 BRD-K02680176-075-12-9 clofilium 0 39.14 Sigma C2365 "N-[4-(4-chlorophenyl)butyl]-N,N-diethyl-1-heptanaminium 4-methylbenzenesulfonate" 338.261 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 WPSYTTKBGAZSCX-UHFFFAOYSA-N 2798 BRD-K02680176-075-11-1 clofilium 0 46.21 Prestwick Prestw-319 Clofilium tosylate 338.261 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 WPSYTTKBGAZSCX-UHFFFAOYSA-N 2798 BRD-K02900412-001-11-3 clofoctol 0 97.9 Selleck S4394 Clofoctol 364.136 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 HQVZOORKDNCGCK-UHFFFAOYSA-N 2799 BRD-K02900412-001-12-1 clofoctol 0 95.89 MicroSource 1503206 CLOFOCTOL 364.136 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 HQVZOORKDNCGCK-UHFFFAOYSA-N 2799 BRD-K39230570-001-01-1 clomesone 0 0 Enamine Z2306534522 2-chloroethyl (methylsulfonyl)methanesulfonate 235.958 CS(=O)(=O)CS(=O)(=O)OCCCl SEHSPJCWCBQHPF-UHFFFAOYSA-N 100651 BRD-K50422030-003-02-6 clomethiazole 0 0 Tocris 881 Chlormethiazole hydrochloride 161.007 Cc1ncsc1CCCl PCLITLDOTJTVDJ-UHFFFAOYSA-N 10783 BRD-K50422030-001-05-3 clomethiazole 0 94.39 Enamine EN300-60459 161.007 Cc1ncsc1CCCl PCLITLDOTJTVDJ-UHFFFAOYSA-N 10783 BRD-K29950728-048-17-4 clomifene 0 91.78 MicroSource 1500196 CLOMIPHENE CITRATE 405.186 CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1 GKIRPKYJQBWNGO-QPLCGJKRSA-N 1548955 BRD-K29950728-048-16-6 clomifene 0 88.28 Selleck S2561 Clomifene citrate 405.186 CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1 GKIRPKYJQBWNGO-QPLCGJKRSA-N 1548955 BRD-K29950728-048-18-2 clomifene 0 94.27 Selleck S2561 Clomifene citrate (Serophene) 405.186 CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1 GKIRPKYJQBWNGO-QPLCGJKRSA-N 1548955 BRD-K52989797-003-28-0 clomipramine 0 71.92 MicroSource 2300061 CLOMIPRAMINE HYDROCHLORIDE 314.155 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 GDLIGKIOYRNHDA-UHFFFAOYSA-N 2801 BRD-K52989797-003-29-9 clomipramine 0 94.52 Tocris 457 Clomipramine hydrochloride 314.155 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 GDLIGKIOYRNHDA-UHFFFAOYSA-N 2801 BRD-K52989797-003-27-2 clomipramine 0 90.32 Tocris 457 Clomipramine hydrochloride 314.155 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 GDLIGKIOYRNHDA-UHFFFAOYSA-N 2801 BRD-K52989797-003-26-4 clomipramine 0 93.06 Selleck S2541 Clomipramine HCl 314.155 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 GDLIGKIOYRNHDA-UHFFFAOYSA-N 2801 BRD-K98530306-003-18-3 clonidine 0 99.61 MicroSource 1500198 CLONIDINE HYDROCHLORIDE 229.017 Clc1cccc(Cl)c1NC1=NCCN1 |t:10| GJSURZIOUXUGAL-UHFFFAOYSA-N 2803 BRD-K98530306-003-22-9 clonidine 0 91.18 Tocris 690 Clonidine hydrochloride 229.017 Clc1cccc(Cl)c1NC1=NCCN1 |t:10| GJSURZIOUXUGAL-UHFFFAOYSA-N 2803 BRD-K98530306-003-17-5 clonidine 0 99.29 Tocris 690 Clonidine hydrochloride 229.017 Clc1cccc(Cl)c1NC1=NCCN1 |t:10| GJSURZIOUXUGAL-UHFFFAOYSA-N 2803 BRD-K98530306-003-16-7 clonidine 0 97.61 Selleck S2458 Clonidine HCl 229.017 Clc1cccc(Cl)c1NC1=NCCN1 |t:10| GJSURZIOUXUGAL-UHFFFAOYSA-N 2803 BRD-K18399440-001-11-9 clonixin 0 97.7 CombiBlocks OR-2783 Clonixin 262.051 Cc1c(Cl)cccc1Nc1ncccc1C(O)=O CLOMYZFHNHFSIQ-UHFFFAOYSA-N 28718 BRD-M63173034-001-03-6 clonixin-lysinate 1 86.5 Sigma MFCD07364029 "(2S)-2,6-diaminohexanoic acid compound with 2-(3-chloro-2-methylanilino)nicotinic acid (1:1)" 408.156 NCCCC[C@H](N)C(O)=O.Cc1c(Cl)cccc1Nc1ncccc1C(O)=O CVNFYQCHAWFYQI-ZSCHJXSPSA-N 9822751 BRD-M63173034-001-02-8 clonixin-lysinate 1 0 Prestwick Prestw-1104 Clonixin Lysinate 408.156 NCCCC[C@H](N)C(O)=O.Cc1c(Cl)cccc1Nc1ncccc1C(O)=O CVNFYQCHAWFYQI-ZSCHJXSPSA-N 9822751 BRD-K15567837-001-19-5 clopamide 0 98.33 Selleck S4316 CLOPAMIDE 345.091 C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O LBXHRAWDUMTPSE-AOOOYVTPSA-N 12492 BRD-A80908310-003-13-8 cloperastine 0 97.64 MicroSource 1503920 CLOPERASTINE HYDROCHLORIDE 329.155 Clc1ccc(cc1)[C@@H](OCCN1CCCCC1)c1ccccc1 |&1:7| FLNXBVJLPJNOSI-FQEVSTJZSA-N 688420 BRD-A80908310-003-14-6 cloperastine 0 96.7 Selleck S5479 CLOPERASTINE HYDROCHLORIDE 329.155 Clc1ccc(cc1)[C@@H](OCCN1CCCCC1)c1ccccc1 |&1:7| FLNXBVJLPJNOSI-FQEVSTJZSA-N 688420 BRD-K00003529-458-01-9 cloperastine-fendizoate 0 96.07 MedChemEx HY-B2179 Cloperastine fendizoate 329.155 Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1 FLNXBVJLPJNOSI-UHFFFAOYSA-N 2805 BRD-K27721098-065-09-4 clopidogrel 0 72.42 MicroSource 1503710 CLOPIDOGREL SULFATE 321.059 COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl GKTWGGQPFAXNFI-HNNXBMFYSA-N 60606 BRD-K27721098-065-08-6 clopidogrel 0 81.96 Selleck S1415 Clopidogrel 321.059 COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl GKTWGGQPFAXNFI-HNNXBMFYSA-N 60606 BRD-K27721098-065-10-2 clopidogrel 0 99.2 Selleck S1415 Clopidogrel (Plavix) 321.059 COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl GKTWGGQPFAXNFI-HNNXBMFYSA-N 60606 BRD-K80036624-001-04-0 clopidol 0 95.89 MicroSource 1505319 CLOPIDOL 190.99 Cc1[nH]c(C)c(Cl)c(=O)c1Cl ZDPIZLCVJAAHHR-UHFFFAOYSA-N 18087 BRD-K80036624-001-06-9 clopidol 0 97.05 MedChemEx HY-B1088 Clopidol 190.99 Cc1[nH]c(C)c(Cl)c(=O)c1Cl ZDPIZLCVJAAHHR-UHFFFAOYSA-N 18087 BRD-K17850764-236-11-9 cloprostenol-(+/-) 0 93.34 Tocris 2295 (?)-Cloprostenol sodium salt 424.165 O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O VJGGHXVGBSZVMZ-QIZQQNKQSA-N 5311053 BRD-A04971881-003-01-3 cloranolol 0 97.23 Sigma PH014015 "1-(tert-butylamino)-3-(2,5-dichlorophenoxy)-2-propanol hydrochloride" 291.079 CC(C)(C)NC[C@@H](O)COc1cc(Cl)ccc1Cl |&1:6| XYCMOTOFHFTUIU-SNVBAGLBSA-N 76964677 BRD-K73251053-003-21-4 clorgiline 0 93.83 Selleck S4317 Clorgyline HCl 271.053 CN(CCCOc1ccc(Cl)cc1Cl)CC#C BTFHLQRNAMSNLC-UHFFFAOYSA-N 4380 BRD-K73251053-003-22-2 clorgiline 0 97.37 MicroSource 1506065 CLORGILINE HYDROCHLORIDE 271.053 CN(CCCOc1ccc(Cl)cc1Cl)CC#C BTFHLQRNAMSNLC-UHFFFAOYSA-N 4380 BRD-K73251053-003-23-9 clorgiline 0 97.41 MedChemEx HY-14197A Clorgyline hydrochloride 271.053 CN(CCCOc1ccc(Cl)cc1Cl)CC#C BTFHLQRNAMSNLC-UHFFFAOYSA-N 4380 BRD-A19053834-050-09-5 clorotepine 0 99.23 Sigma MFCD00153855 "(2Z)-2-butenedioic acid compound with 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1:1)" 344.111 CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 |&1:7| XRYLGRGAWQSVQW-KRWDZBQOSA-N 12765746 BRD-K01825579-003-03-9 clorprenaline 0 95.94 Selleck S4135 Clorprenaline HCl 249.069 CC(C)NC[C@@H](O)c1ccccc1Cl |&1:5| SSMSBSWKLKKXGG-LLVKDONJSA-N 12463921 BRD-K97521363-001-16-1 clorsulon 0 99.05 MicroSource 1505115 CLORSULON 378.902 Nc1cc(C(Cl)=C(Cl)Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O QOVTVIYTBRHADL-UHFFFAOYSA-N 43231 BRD-K97521363-001-17-9 clorsulon 0 98.87 MedChemEx HY-B0488 Clorsulon 378.902 Nc1cc(C(Cl)=C(Cl)Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O QOVTVIYTBRHADL-UHFFFAOYSA-N 43231 BRD-K97521363-001-15-3 clorsulon 0 96.72 Selleck S2613 Clorsulon 378.902 Nc1cc(C(Cl)=C(Cl)Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O QOVTVIYTBRHADL-UHFFFAOYSA-N 43231 BRD-K01825680-001-02-9 closantel 0 95.75 MedChemEx HY-17596 Closantel 661.852 Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O |&1:4| JMPFSEBWVLAJKM-KRWDZBQOSA-N 72715766 BRD-K01825680-236-01-9 closantel 0 98.84 Selleck S4105 Closantel Sodium 684.842 Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O |&1:4| JMPFSEBWVLAJKM-KRWDZBQOSA-N 72715766 BRD-K10990317-001-04-5 clotiapine 0 98.82 Enzo D108 Clothiapine 343.091 CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8| KAAZGXDPUNNEFN-UHFFFAOYSA-N 16351 BRD-K15916496-001-29-5 clotrimazole 0 95.04 Tocris 4096 Clotrimazole 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 VNFPBHJOKIVQEB-UHFFFAOYSA-N 2812 BRD-K15916496-001-27-9 clotrimazole 0 98.93 MicroSource 1500200 CLOTRIMAZOLE 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 VNFPBHJOKIVQEB-UHFFFAOYSA-N 2812 BRD-K15916496-001-26-1 clotrimazole 0 98.45 Selleck S1606 Clotrimazole 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 VNFPBHJOKIVQEB-UHFFFAOYSA-N 2812 BRD-K15916496-001-30-9 clotrimazole 0 97.61 Tocris 4096 Clotrimazole 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 VNFPBHJOKIVQEB-UHFFFAOYSA-N 2812 BRD-K01244426-236-12-1 cloxacillin 0 94.98 MicroSource 1500201 CLOXACILLIN SODIUM 435.066 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl LQOLIRLGBULYKD-JKIFEVAISA-N 6098 BRD-K01244426-323-14-9 cloxacillin 0 85.96 MedChemEx HY-B0466 Cloxacillin (sodium monohydrate) 435.066 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl LQOLIRLGBULYKD-JKIFEVAISA-N 6098 BRD-K01244426-323-07-7 cloxacillin 0 91.2 Selleck S2564 Cloxacillin sodium 435.066 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl LQOLIRLGBULYKD-JKIFEVAISA-N 6098 BRD-K01244426-323-08-5 cloxacillin 0 79.89 Selleck S2564 Cloxacillin Sodium 435.066 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl LQOLIRLGBULYKD-JKIFEVAISA-N 6098 BRD-K23933163-323-01-9 BRD-K46982791-001-10-9 cloxyquin 0 98.46 MedChemEx HY-B0963 Cloxiquine 179.014 Oc1ccc(Cl)c2cccnc12 CTQMJYWDVABFRZ-UHFFFAOYSA-N 2817 BRD-K46982791-001-09-4 cloxyquin 0 94.72 MicroSource 1500202 CLOXYQUIN 179.014 Oc1ccc(Cl)c2cccnc12 CTQMJYWDVABFRZ-UHFFFAOYSA-N 2817 BRD-K37289225-001-36-4 clozapine 0 95.42 MicroSource 1500685 CLOZAPINE 326.13 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| QZUDBNBUXVUHMW-UHFFFAOYSA-N 135398737 BRD-K37289225-001-34-9 clozapine 0 87.66 Selleck S2459 Clozapine 326.13 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| QZUDBNBUXVUHMW-UHFFFAOYSA-N 135398737 BRD-K37289225-001-35-6 clozapine 0 93.29 Tocris 444 Clozapine 326.13 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| QZUDBNBUXVUHMW-UHFFFAOYSA-N 135398737 BRD-K37289225-001-37-2 clozapine 0 90.86 Selleck S2459 Clozapine (Clozaril) 326.13 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| QZUDBNBUXVUHMW-UHFFFAOYSA-N 135398737 BRD-K00003438-001-01-9 CM-4620 0 97.16 MedChemEx HY-101942 CM-4620 421.044 Cc1cccc(F)c1C(=O)Nc1cnc(cn1)-c1cc2OC(F)(F)Oc2cc1Cl QQMKTHUGOQDEIL-UHFFFAOYSA-N 122507647 BRD-K54095730-001-04-9 CMPD-1 0 77.87 Tocris 2186 CMPD-1 349.148 Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1 ODYAQBDIXCVKAE-UHFFFAOYSA-N 11382492 BRD-K54095730-001-03-1 CMPD-1 0 96.43 Tocris 2186 CMPD-1 349.148 Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1 ODYAQBDIXCVKAE-UHFFFAOYSA-N 11382492 BRD-K19438463-304-01-2 CNQX 0 96.68 Tocris 1045 CNQX disodium salt 232.023 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C#N RPXVIAFEQBNEAX-UHFFFAOYSA-N 3721046 BRD-K19438463-001-05-5 CNQX 0 97.7 Tocris 190 CNQX 232.023 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C#N RPXVIAFEQBNEAX-UHFFFAOYSA-N 3721046 BRD-K19438463-001-06-9 CNQX 0 94.56 Tocris 190 CNQX 232.023 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C#N RPXVIAFEQBNEAX-UHFFFAOYSA-N 3721046 BRD-K24869513-001-02-1 CNX-2006 0 88.48 MedChemEx HY-13897 CNX-2006 545.216 COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F BFSRTTWIPACGMI-UHFFFAOYSA-N 56968072 BRD-K24869513-001-03-9 CNX-2006 0 95.62 MedChemEx HY-13897 CNX-2006 545.216 COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F BFSRTTWIPACGMI-UHFFFAOYSA-N 56968072 BRD-K48443249-001-02-9 CNX-774 0 94.96 MedChemEx HY-13943 CNX-774 499.177 CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 VVLHQJDAUIPZFH-UHFFFAOYSA-N 59174579 BRD-K48443249-001-01-0 CNX-774 0 96.11 Selleck S7257 CNX-774 499.177 CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 VVLHQJDAUIPZFH-UHFFFAOYSA-N 59174579 BRD-K55677650-003-03-7 CO-101244 0 93.39 Tocris 2456 Co 101244 hydrochloride 341.199 Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1 VKMFDKYCIKEDMR-UHFFFAOYSA-N 6918409 BRD-K55677650-003-02-9 CO-101244 0 94.77 Tocris 2456 Co 101244 hydrochloride 341.199 Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1 VKMFDKYCIKEDMR-UHFFFAOYSA-N 6918409 BRD-K55677650-003-04-9 CO-101244 0 96.6 Tocris 2456 Co 101244 hydrochloride 341.199 Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1 VKMFDKYCIKEDMR-UHFFFAOYSA-N 6918409 BRD-K70912147-001-01-8 CO-102862 0 97.69 Tocris 2642 Co 102862 273.091 NC(=O)N\N=C\c1ccc(Oc2ccc(F)cc2)cc1 MHUUDVZSPFRUSK-RQZCQDPDSA-N 9816959 BRD-K51040301-001-03-9 cobicistat 0 93.59 MedChemEx HY-10493 Cobicistat 775.355 CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZCIGNRJZKPOIKD-CQXVEOKZSA-N 25151504 BRD-K51040301-001-02-1 cobicistat 0 95.36 Selleck S2900 Cobicistat (GS-9350) 775.355 CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZCIGNRJZKPOIKD-CQXVEOKZSA-N 25151504 BRD-K03390685-001-01-7 cobimetinib 0 91.82 MedChemEx HY-13064 Cobimetinib 531.063 OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 BSMCAPRUBJMWDF-KRWDZBQOSA-N 16222096 BRD-K03390685-001-03-9 cobimetinib 0 95.46 MedChemEx HY-13064 Cobimetinib 531.063 OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 BSMCAPRUBJMWDF-KRWDZBQOSA-N 16222096 BRD-A67956599-002-01-3 coenzyme-A 0 0 ChemImpex 644 Coenzyme A hydrate 767.115 "CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |a:14,16,17,19,35,&1:5,&2:9|" RGJOEKWQDUBAIZ-IBOSZNHHSA-N 87642 BRD-K01825730-304-02-9 coenzyme-I 0 0 Apollo BIB3012 711.104 "NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:9,11,23,25,26,28,40,42,&1:14,&2:18,c:6,t:3|" BOPGDPNILDQYTO-NNYOXOHSSA-N 439153 BRD-K01825730-304-01-9 coenzyme-I 0 0 SantaCruz sc-215562 711.104 "NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:9,11,23,25,26,28,40,42,&1:14,&2:18,c:6,t:3|" BOPGDPNILDQYTO-NNYOXOHSSA-N 439153 BRD-A45839132-304-01-2 BRD-K75043328-001-05-9 coenzyme-Q10 0 0 Sigma MFCD00042919 "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl]-5,6-dimethoxy-3-methylbenzo-1,4-quinone" 862.684 "COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O |c:2,t:58|" ACTIUHUUMQJHFO-UPTCCGCDSA-N 5281915 BRD-K75043328-001-04-2 coenzyme-Q10 0 0 Selleck S2398 Coenzyme Q10(CoQ10) 862.684 "COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O |c:2,t:58|" ACTIUHUUMQJHFO-UPTCCGCDSA-N 5281915 BRD-K75043328-001-03-4 coenzyme-Q10 0 0 Selleck S2398 Coenzyme Q10 (CoQ10) 862.684 "COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O |c:2,t:58|" ACTIUHUUMQJHFO-UPTCCGCDSA-N 5281915 BRD-K00003307-001-01-9 COH29 0 74.48 MedChemEx HY-19931 COH29 420.078 Oc1ccc(cc1O)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(O)c(O)c1 LGGDLPSXAGQFSG-UHFFFAOYSA-N 44253415 BRD-K00259736-001-16-4 colchicine 0 96.57 MicroSource 1500205 COLCHICINE 399.168 COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC IAKHMKGGTNLKSZ-INIZCTEOSA-N 6167 BRD-K00259736-001-18-0 colchicine 0 93.41 Tocris 1364 Colchicine 399.168 COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC IAKHMKGGTNLKSZ-INIZCTEOSA-N 6167 BRD-A46684810-001-12-9 BRD-A55416093-001-06-4 colforsin 0 100 MicroSource 1503804 COLFORSIN 410.23 "CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |a:4,5,13,15,17,22,25,&1:7|" OHCQJHSOBUTRHG-KGGHGJDLSA-N 47936 BRD-K19388745-003-01-7 colforsin-daproate 0 100 EMDBio 344281-5MG "Forskolin, NKH477" 509.299 CN(C)CCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C RSOZZQTUMVBTMR-XGUNBQNXSA-N 444029 BRD-K01825113-001-02-9 colfosceril-palmitate 0 0 Acros 24057 734.57 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC |a:19,&1:22|" KILNVBDSWZSGLL-KXQOOQHDSA-O 160339 BRD-K01825113-001-03-9 colfosceril-palmitate 0 0 Sigma MFCD00036903 "(R)-2,3-bis(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate" 734.57 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC |a:19,&1:22|" KILNVBDSWZSGLL-KXQOOQHDSA-O 160339 BRD-K01666924-319-01-9 colistimethate 0 0 USP 1147009 1610.597 [H][C@@](CCNCS(O)(=O)=O)(NC(=O)CCCC(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@]([H])(CCNCS(O)(=O)=O)C(=O)N[C@@]1([H])CCNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CCNCS(O)(=O)=O)NC(=O)[C@]([H])(CCNCS(O)(=O)=O)NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CCNCS(O)(=O)=O)NC1=O)[C@@H](C)O PTQGBRPUALXNCZ-INRRNNIXSA-N BRD-K01666924-001-01-9 BRD-K01666935-065-02-9 colistin 0 66.4 MedChemEx HY-A0089 Colistin (sulfate) "1,154.75" "CC[C@@H](C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O |a:10,17,18,24,31,37,41,48,55,63,71,78,&1:2|" YKQOSKADJPQZHB-TULBBYNTSA-N BRD-K01666935-326-01-9 colistin 0 74.4 Selleck S4029 Colistin Sulfate "1,448.65" "CC[C@@H](C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O |a:10,17,18,24,31,37,41,48,55,63,71,78,&1:2|" YKQOSKADJPQZHB-TULBBYNTSA-N BRD-K61195623-001-02-9 combretastatin-A-4 0 97.9 MedChemEx HY-N2146 Combretastatin A4 316.131 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O HVXBOLULGPECHP-WAYWQWQTSA-N 5351344 BRD-K61195623-001-01-4 combretastatin-A-4 0 87.15 ChemDiv 8020-3786 316.131 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O HVXBOLULGPECHP-WAYWQWQTSA-N 5351344 BRD-K19655798-001-01-9 compound-401 0 99.02 Tocris 3271 Compound 401 281.116 O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1 BVRDQVRQVGRNHG-UHFFFAOYSA-N 10039361 BRD-K19655798-001-02-9 compound-401 0 96.07 Tocris 3271 Compound 401 281.116 O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1 BVRDQVRQVGRNHG-UHFFFAOYSA-N 10039361 BRD-K76139886-003-01-3 compound-58112 0 97.83 Sigma MFCD10465434 "4-(3-methoxybenzyl)-2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinane hydrochloride" 295.142 COc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1 CUYLJVJMQPPTOS-UHFFFAOYSA-N 155931 BRD-K98143539-001-02-2 compound-w 0 98.85 Tocris 2654 Compound W 396.059 OC(=O)c1cc(Oc2ccc(cc2)[N+]([O-])=O)cc(Oc2ccc(cc2)[N+]([O-])=O)c1 JOSXKPZXMVHRKU-UHFFFAOYSA-N 16760376 BRD-K98143539-001-03-9 compound-w 0 97.26 Tocris 2654 Compound W 396.059 OC(=O)c1cc(Oc2ccc(cc2)[N+]([O-])=O)cc(Oc2ccc(cc2)[N+]([O-])=O)c1 JOSXKPZXMVHRKU-UHFFFAOYSA-N 16760376 BRD-K37385792-003-03-9 conivaptan 0 99.33 MedChemEx HY-18347A Conivaptan (hydrochloride) 498.206 Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 IKENVDNFQMCRTR-UHFFFAOYSA-N 151171 BRD-K37385792-003-02-1 conivaptan 0 98.26 Selleck S2116 Conivaptan HCl 498.206 Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 IKENVDNFQMCRTR-UHFFFAOYSA-N 151171 BRD-K00004559-001-01-9 convallatoxin 0 78.4 Sigma MFCD00069477 Convallatoxin 550.278 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |t:31| HULMNSIAKWANQO-JQKSAQOKSA-N 441852 BRD-K24666289-001-02-3 copanlisib 0 70.27 MedChemEx HY-15346 BAY 80-6946 480.223 "COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|" PZBCKZWLPGJMAO-UHFFFAOYSA-N BRD-K24666289-001-04-9 copanlisib 0 97.22 MedChemEx HY-15346 BAY 80-6946 480.223 "COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|" PZBCKZWLPGJMAO-UHFFFAOYSA-N BRD-K24666289-001-05-9 copanlisib 0 74.15 MedChemEx HY-15346 Copanlisib 480.223 "COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|" PZBCKZWLPGJMAO-UHFFFAOYSA-N BRD-K36449075-001-01-0 copper-histidine 0 93.67 Enzo AC1014 D-Histidine 155.069 N[C@H](Cc1cnc[nH]1)C(O)=O HNDVDQJCIGZPNO-RXMQYKEDSA-N 71083 BRD-K36449075-001-02-9 copper-histidine 0 100 Vitas-M STL141076 D-histidine 155.069 N[C@H](Cc1cnc[nH]1)C(O)=O HNDVDQJCIGZPNO-RXMQYKEDSA-N 71083 BRD-K74965187-001-02-9 COR-170 0 96.93 Tocris 4756 COR 170 468.278 CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccccc1 MSJISJDTJJYBFT-UHFFFAOYSA-N 25033736 BRD-K74965187-001-01-3 COR-170 0 98.6 Tocris 4756 COR 170 468.278 CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccccc1 MSJISJDTJJYBFT-UHFFFAOYSA-N 25033736 BRD-K65428967-001-09-2 cordycepin 0 95.42 Tocris 2294 Cordycepin 251.102 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O OFEZSBMBBKLLBJ-BAJZRUMYSA-N 6303 BRD-K65428967-001-08-4 cordycepin 0 98.83 Tocris 2294 Cordycepin 251.102 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O OFEZSBMBBKLLBJ-BAJZRUMYSA-N 6303 BRD-K65428967-001-10-9 cordycepin 0 98.07 Tocris 2294 Cordycepin 251.102 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O OFEZSBMBBKLLBJ-BAJZRUMYSA-N 6303 BRD-K27885593-001-06-8 corosolic-acid 0 96.17 MedChemEx HY-N0280 Corosolic acid 472.355 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| HFGSQOYIOKBQOW-ZSDYHTTISA-N 6918774 BRD-K00004700-001-01-9 CORT-108297 0 79.93 AMS L13976 CORT-108297 535.155 CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:10| SLKURXRZHJOZOD-RUZDIDTESA-N 44454750 BRD-K73589401-001-25-1 corticosterone 0 79.65 Tocris 3685 Corticosterone 346.214 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |t:9| OMFXVFTZEKFJBZ-HJTSIMOOSA-N 5753 BRD-K73589401-001-23-6 corticosterone 0 98.1 Prestwick Prestw-432 Corticosterone 346.214 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |t:9| OMFXVFTZEKFJBZ-HJTSIMOOSA-N 5753 BRD-K73589401-001-26-9 corticosterone 0 93.5 Tocris 3685 Corticosterone 346.214 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |t:9| OMFXVFTZEKFJBZ-HJTSIMOOSA-N 5753 BRD-K00025572-001-01-9 cortisone 0 93.34 Sigma C2755-250MG 360.194 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9| MFYSYFVPBJMHGN-ZPOLXVRWSA-N 222786 BRD-A00025572-001-01-9 BRD-K86161929-001-13-3 cortisone-acetate 0 94.14 MicroSource 1500207 CORTISONE ACETATE 402.204 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |t:15| ITRJWOMZKQRYTA-RFZYENFJSA-N 5745 BRD-A54487287-001-04-7 BRD-K86161929-001-11-7 cortisone-acetate 0 87.13 Selleck S2559 Cortisone acetate (Cortone) 402.204 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |t:15| ITRJWOMZKQRYTA-RFZYENFJSA-N 5745 BRD-K86161929-001-12-5 cortisone-acetate 0 82.18 Selleck S2559 Cortisone acetate 402.204 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |t:15| ITRJWOMZKQRYTA-RFZYENFJSA-N 5745 BRD-K83872210-001-01-1 BRD-K86161929-001-15-9 cortisone-acetate 0 91.19 MedChemEx HY-17461A Cortisone (acetate) 402.204 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |t:15| ITRJWOMZKQRYTA-RFZYENFJSA-N 5745 BRD-K32891457-001-16-3 cortodoxone 0 86.88 MedChemEx HY-77839 Cortodoxone 346.214 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:8| WHBHBVVOGNECLV-OBQKJFGGSA-N 440707 BRD-K32891457-001-15-5 cortodoxone 0 94.37 Sigma MFCD00003662 "17,21-dihydroxypregn-4-ene-3,20-dione" 346.214 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:8| WHBHBVVOGNECLV-OBQKJFGGSA-N 440707 BRD-K26833429-001-04-4 costunolide 0 79.55 Selleck S1319 Costunolide 232.146 "C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1,t:6|" HRYLQFBHBWLLLL-AHNJNIBGSA-N 5281437 BRD-K44887666-001-02-4 BRD-K26833429-001-03-6 costunolide 0 56.06 Tocris 2483 Costunolide 232.146 "C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1,t:6|" HRYLQFBHBWLLLL-AHNJNIBGSA-N 5281437 BRD-K26833429-001-07-9 costunolide 0 71.46 Tocris 2483 Costunolide 232.146 "C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1,t:6|" HRYLQFBHBWLLLL-AHNJNIBGSA-N 5281437 BRD-K26833429-001-02-8 costunolide 0 89.25 Selleck S1319 Costunolide 232.146 "C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1,t:6|" HRYLQFBHBWLLLL-AHNJNIBGSA-N 5281437 BRD-K98710228-001-01-6 cot-inhibitor-1 0 90.4 MedChemEx HY-32015 Cot inhibitor-1 552.172 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCCCCC5)nn4)cc23)C#N)cc1Cl ZWFKJFUFYPOTKL-UHFFFAOYSA-N 11584834 BRD-K49468759-001-05-9 cot-inhibitor-2 0 88.06 MedChemEx HY-32018 Cot inhibitor-2 538.156 CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 PHNZIIMWDVXPGG-UHFFFAOYSA-N 44143370 BRD-K49468759-001-04-2 cot-inhibitor-2 0 93.1 MedChemEx HY-32018 Cot inhibitor-2 538.156 CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 PHNZIIMWDVXPGG-UHFFFAOYSA-N 44143370 BRD-K00003348-001-01-9 COTI-2 0 45.94 MedChemEx HY-19896 COTI-2 366.163 S=C(N\N=C1/CCCc2cccnc12)N1CCN(CC1)c1ccccn1 UTDAKQMBNSHJJB-CJLVFECKSA-N 91810660 BRD-K94144010-001-14-9 cotinine 0 91.69 MedChemEx HY-B1178 Cotinine 176.095 CN1[C@@H](CCC1=O)c1cccnc1 UIKROCXWUNQSPJ-VIFPVBQESA-N 854019 BRD-K94144010-001-13-9 cotinine 0 97.89 MicroSource 1500208 COTININE 176.095 CN1[C@@H](CCC1=O)c1cccnc1 UIKROCXWUNQSPJ-VIFPVBQESA-N 854019 BRD-K23913458-001-20-7 coumarin 0 99.45 MicroSource 1400208 COUMARIN 146.037 O=c1ccc2ccccc2o1 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N 323 BRD-K23913458-001-19-9 coumarin 0 97.12 Selleck S4170 Coumarin 146.037 O=c1ccc2ccccc2o1 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N 323 BRD-K41567533-001-08-3 coumophos 0 89.12 MicroSource 330012 COUMOPHOS 362.014 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 BXNANOICGRISHX-UHFFFAOYSA-N 2871 BRD-K41567533-001-11-9 coumophos 0 88.98 Sigma MFCD00041820 Coumaphos 362.014 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 BXNANOICGRISHX-UHFFFAOYSA-N 2871 BRD-K00004654-001-01-9 "CP-105,696" 0 97.8 Sigma PZ0363 "1-((3S,4R)-3-([1,1'-biphenyl]-4-ylmethyl)-4-hydroxychroman-7-yl)cyclopentane-1-carboxylic acid" 428.199 O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O KMNLXCBYBKHKSK-BKMJKUGQSA-N 9867257 BRD-K53913008-001-01-5 CP-316819 0 95.8 Tocris 3542 CP 316819 415.13 CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 WEQLRDLTRCEUHG-PKOBYXMFSA-N 10273347 BRD-K53913008-001-02-9 CP-316819 0 96.53 Tocris 3542 CP 316819 415.13 CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 WEQLRDLTRCEUHG-PKOBYXMFSA-N 10273347 BRD-K00004233-003-01-9 CP-339818 0 98.69 Tocris 1399 CP 339818 hydrochloride 304.194 CCCCC\N=c1/ccn(Cc2ccccc2)c2ccccc12 MMGAVKCAGQCFHS-LSDHQDQOSA-N BRD-K31394475-001-01-9 CP-376395 0 98.61 Key GD-0065 "N-(1-ethylpropyl)-2-(mesityloxy)-3,6-dimethyl-4-pyridinamine" 326.236 CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C VIZBSVDBNLAVAW-UHFFFAOYSA-N 9862166 BRD-K31394475-003-01-5 CP-376395 0 97.61 Tocris 3212 CP 376395 hydrochloride 326.236 CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C VIZBSVDBNLAVAW-UHFFFAOYSA-N 9862166 BRD-K33234937-001-01-7 CP-471474 0 89.85 Tocris 3780 CP 471474 368.084 CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO QCOQJYRPDUMCNP-UHFFFAOYSA-N 9907286 BRD-K33234937-001-02-9 CP-471474 0 93.4 Tocris 3780 CP 471474 368.084 CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO QCOQJYRPDUMCNP-UHFFFAOYSA-N 9907286 BRD-K36611520-001-01-6 CP-532623 0 98.71 Sigma PZ0225 "isopropyl (2R,4S)-4-(N-(3,5-bis(trifluoromethyl)benzyl)acetamido)-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate" 598.188 CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F TUPKOWFPVAXQFP-OFNKIYASSA-N 10145345 BRD-K00004719-001-01-9 CP-547632 0 88.53 Cayman 21773 "3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-[({[4-(1-pyrrolidinyl)butyl]amino}carbonyl)amino]-4-isothiazolecarboxamide" 531.075 NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F HXHAJRMTJXHJJZ-UHFFFAOYSA-N 9811611 BRD-K26921335-003-01-2 CP-640186 0 91.31 MedChemEx HY-15259A CP-640186 (hydrochloride) 485.268 O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 LDQKDRLEMKIYMC-XMMPIXPASA-N 449097 BRD-K43621685-001-05-9 CP-673451 0 94.46 Tocris 5993 CP 673451 417.216 COCCOc1ccc2n(cnc2c1)-c1ccc2cccc(N3CCC(N)CC3)c2n1 DEEOXSOLTLIWMG-UHFFFAOYSA-N 10158940 BRD-K43621685-001-02-5 CP-673451 0 88.95 Selleck S1536 CP-673451 417.216 COCCOc1ccc2n(cnc2c1)-c1ccc2cccc(N3CCC(N)CC3)c2n1 DEEOXSOLTLIWMG-UHFFFAOYSA-N 10158940 BRD-K43621685-001-03-3 CP-673451 0 93.35 Selleck S1536 CP 673451 417.216 COCCOc1ccc2n(cnc2c1)-c1ccc2cccc(N3CCC(N)CC3)c2n1 DEEOXSOLTLIWMG-UHFFFAOYSA-N 10158940 BRD-K76908866-001-08-9 CP-724714 0 96.99 Tocris 5973 CP 724714 469.211 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 LLVZBTWPGQVVLW-SNAWJCMRSA-N 9874913 BRD-K76908866-001-07-6 CP-724714 0 97.14 Selleck S1167 CP-724714 469.211 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 LLVZBTWPGQVVLW-SNAWJCMRSA-N 9874913 BRD-K96843359-001-02-6 CP-775146 0 97.47 Tocris 4190 CP 775146 423.241 CC(C)c1ccc(CC(=O)N2CCC[C@H](C2)c2cccc(OC(C)(C)C(O)=O)c2)cc1 OISHBINQIFNIPV-JOCHJYFZSA-N 10410059 BRD-K96843359-001-03-9 CP-775146 0 95.02 Tocris 4190 CP 775146 423.241 CC(C)c1ccc(CC(=O)N2CCC[C@H](C2)c2cccc(OC(C)(C)C(O)=O)c2)cc1 OISHBINQIFNIPV-JOCHJYFZSA-N 10410059 BRD-K19171642-001-02-3 CP-91149 0 97.95 Selleck S2717 CP-91149 399.135 CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 HINJNZFCMLSBCI-PKOBYXMFSA-N 9843900 BRD-K19171642-001-03-1 CP-91149 0 96.48 Selleck S2717 CP-91149 399.135 CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 HINJNZFCMLSBCI-PKOBYXMFSA-N 9843900 BRD-K81876028-300-03-9 CP-93129 0 96.73 Tocris 1032 CP 93129 dihydrochloride 215.106 O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8| PJYVGMRFPFNZCT-UHFFFAOYSA-N 124007 BRD-K81876028-300-02-0 CP-93129 0 87.99 Tocris 1032 CP 93129 dihydrochloride 215.106 O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8| PJYVGMRFPFNZCT-UHFFFAOYSA-N 124007 BRD-K33860217-003-04-0 CP-94253 0 92.31 Tocris 1317 CP 94253 hydrochloride 257.153 CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1 |t:11| KWQWBZIGHIOKIO-UHFFFAOYSA-N 4029677 BRD-K33860217-003-03-2 CP-94253 0 72.81 Tocris 1317 CP 94253 hydrochloride 257.153 CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1 |t:11| KWQWBZIGHIOKIO-UHFFFAOYSA-N 4029677 BRD-K09090949-001-02-9 "CP-945,598" 0 95.42 MedChemEx HY-10871 Otenabant 509.15 CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O UNAZAADNBYXMIV-UHFFFAOYSA-N 10052040 BRD-K09090949-001-01-9 "CP-945,598" 0 98.78 MedChemEx HY-10871 Otenabant 509.15 CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O UNAZAADNBYXMIV-UHFFFAOYSA-N 10052040 BRD-K09946180-300-01-6 CP-99994 0 94.58 Tocris 3417 CP 99994 dihydrochloride 296.189 COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 DTQNEFOKTXXQKV-HKUYNNGSSA-N 5311057 BRD-K09946180-300-02-9 CP-99994 0 93.89 Tocris 3417 CP 99994 dihydrochloride 296.189 COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 DTQNEFOKTXXQKV-HKUYNNGSSA-N 5311057 BRD-A69126730-001-01-3 CPA-inhibitor 0 95.18 MedChemEx HY-70005 CPA inhibitor 313.131 "ON(C[C@@H](Cc1ccccc1)C(O)=O)C(=O)Cc1ccccc1 |&1:3,r|" PONANXDRJJIGPG-MRXNPFEDSA-N 124386386 BRD-K00004223-001-01-9 CPCCOEt 0 91.15 Tocris 1028 CPCCOEt 247.084 "CCOC(=O)[C@]12C[C@H]1\C(=N/O)c1ccccc1O2 |&1:5,7,r|" FXCTZFMSAHZQTR-PFJVYOFESA-N 10106002 BRD-K19871656-001-01-3 CPI-0610 0 99.18 MedChemEx HY-12863 CPI-0610 365.093 Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |t:10| GCWIQUVXWZWCLE-INIZCTEOSA-N 57389999 BRD-K19871656-001-02-9 CPI-0610 0 97.97 MedChemEx HY-12863 CPI-0610 365.093 Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |t:10| GCWIQUVXWZWCLE-INIZCTEOSA-N 57389999 BRD-K11073688-001-02-9 CPI-1189 0 95.36 Vitas-M STK087738 4-(acetylamino)-N-tert-butylbenzamide 234.137 CC(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C DJKNRCWSXSZACF-UHFFFAOYSA-N 151118 BRD-K11073688-001-01-6 CPI-1189 0 98.62 ChemDiv Y030-2548 234.137 CC(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C DJKNRCWSXSZACF-UHFFFAOYSA-N 151118 BRD-K00003360-001-01-9 CPI-1205 0 96.89 MedChemEx HY-100021 CPI-1205 518.25 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 HPODOLXTMDHLLC-QGZVFWFLSA-N 78320408 BRD-K97181972-001-01-9 CPI-169 0 93.82 MedChemEx HY-15956A CPI-169 528.241 CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc12 LHGUZCKPFXXVPV-GOSISDBHSA-N 71712226 BRD-K15811707-001-02-0 CPI-203 0 94.7 Tocris 5331 CPI 203 399.092 Cc1nnc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:10| QECMENZMDBOLDR-AWEZNQCLSA-N 71291068 BRD-K15811707-001-01-2 CPI-203 0 95.34 MedChemEx HY-15846 CPI-203 399.092 Cc1nnc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:10| QECMENZMDBOLDR-AWEZNQCLSA-N 71291068 BRD-K18319422-001-01-7 CPI-360 0 94.64 MedChemEx HY-15955 CPI-360 437.231 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 PFPSFENQCNMITC-MRXNPFEDSA-N 73442743 BRD-K00003442-001-01-9 CPI-444 0 92.74 MedChemEx HY-101978 CPI-444 407.171 Cc1ccc(o1)-c1nc(N)nc2n(Cc3cccc(CO[C@H]4CCOC4)n3)nnc12 KURQKNMKCGYWRJ-HNNXBMFYSA-N 44537963 BRD-A06916187-001-03-9 CPI-613 0 96.2 Tocris 5348 "6,8-Bis(benzylthio)octanoic acid" 388.153 "OC(=O)CCCC[C@@H](CCSCc1ccccc1)SCc1ccccc1 |&1:7,r|" ZYRLHJIMTROTBO-NRFANRHFSA-N 70881528 BRD-A06916187-001-02-9 CPI-613 0 95.51 Selleck S2776 CPI-613 388.153 "OC(=O)CCCC[C@@H](CCSCc1ccccc1)SCc1ccccc1 |&1:7,r|" ZYRLHJIMTROTBO-NRFANRHFSA-N 70881528 BRD-K66094457-001-02-3 CPP 0 93.04 Tocris 247 (2R)-4-(3-phosphonopropyl)-2-piperazinecarboxylic acid 252.088 OC(=O)[C@H]1CN(CCCP(O)(O)=O)CCN1 CUVGUPIVTLGRGI-SSDOTTSWSA-N 6603754 BRD-K66094457-001-01-5 CPP 0 0 EMDBio 504839-10MG (R)-CPP 252.088 OC(=O)[C@H]1CN(CCCP(O)(O)=O)CCN1 CUVGUPIVTLGRGI-SSDOTTSWSA-N 6603754 BRD-A81603255-001-02-9 CPSI-1306-(+/-) 0 96.17 Tocris 4400 (+/-)-CPSI 1306 310.113 "Fc1ccc(C2=NO[C@@H](CC(=O)N3CCOCC3)C2)c(F)c1 |&1:8,r,t:5|" GUWOSEVHCSNYFK-LLVKDONJSA-N 52936269 BRD-A81603255-001-01-0 CPSI-1306-(+/-) 0 96.78 Tocris 4400 (+/-)-CPSI 310.113 "Fc1ccc(C2=NO[C@@H](CC(=O)N3CCOCC3)C2)c(F)c1 |&1:8,r,t:5|" GUWOSEVHCSNYFK-LLVKDONJSA-N 52936269 BRD-K56839624-001-06-9 CQS 0 91.22 Sigma MFCD01657676 4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide 334.029 Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(Cl)cccc2n1 CTSNHMQGVWXIEG-UHFFFAOYSA-N 72462 BRD-K40331046-305-02-3 CR8-(R) 0 94.42 Tocris 3605 (R)-CR8 431.243 CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 HOCBJBNQIQQQGT-LJQANCHMSA-N 10224714 BRD-K40331046-305-01-5 CR8-(R) 0 96.87 Tocris 3605 (R)-CR8 431.243 CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 HOCBJBNQIQQQGT-LJQANCHMSA-N 10224714 BRD-K40331046-305-03-9 CR8-(R) 0 95.89 Tocris 3605 (R)-CR8 431.243 CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 HOCBJBNQIQQQGT-LJQANCHMSA-N 10224714 BRD-K19615002-001-02-3 creatine 0 100 Vitas-M STL163516 131.069 CN(CC(O)=O)C(N)=N CVSVTCORWBXHQV-UHFFFAOYSA-N 586 BRD-K13495773-001-15-9 creatinine 0 100 MedChemEx HY-B0504 Creatinine 113.059 CN1CC(=O)NC1=N DDRJAANPRJIHGJ-UHFFFAOYSA-N 588 BRD-K13495773-001-12-2 creatinine 0 0 MicroSource 1600300 CREATININE 113.059 CN1CC(=O)NC1=N DDRJAANPRJIHGJ-UHFFFAOYSA-N 588 BRD-K13495773-001-11-4 creatinine 0 100 Selleck S3102 Creatinine 113.059 CN1CC(=O)NC1=N DDRJAANPRJIHGJ-UHFFFAOYSA-N 588 BRD-K42991124-001-04-8 creatinol-phosphate 1 100 CombiBlocks QA-2638 2-[[amino(imino)methyl](methyl)amino]ethyl dihydrogen phosphate 197.057 CN(CCOP(O)(O)=O)C(N)=N FOIPWTMKYXWFGC-UHFFFAOYSA-N 23342 BRD-K42991124-001-03-0 creatinol-phosphate 1 0 CombiBlocks QA-2638 197.057 CN(CCOP(O)(O)=O)C(N)=N FOIPWTMKYXWFGC-UHFFFAOYSA-N 23342 BRD-K00003129-001-01-9 crenigacestat 0 95.66 MedChemEx HY-12449 Crenigacestat 464.167 C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2cccnc2N(CCO)C1=O YCBAQKQAINQRFW-UGSOOPFHSA-N 71236992 BRD-K22127577-001-03-7 crenolanib 0 93.31 Selleck S2730 Crenolanib (CP-868596) 443.232 CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 DYNHJHQFHQTFTP-UHFFFAOYSA-N 10366136 BRD-K22127577-001-06-9 crenolanib 0 72.51 MedChemEx HY-13223 Crenolanib 443.232 CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 DYNHJHQFHQTFTP-UHFFFAOYSA-N 10366136 BRD-K22127577-001-02-9 crenolanib 0 75.64 Selleck S2730 Crenolanib (CP-868596) 443.232 CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 DYNHJHQFHQTFTP-UHFFFAOYSA-N 10366136 BRD-K56940914-001-04-2 cresol 0 78.99 MicroSource 1500209 CRESOL 108.058 Cc1ccc(O)cc1 IWDCLRJOBJJRNH-UHFFFAOYSA-N 2879 BRD-K58648841-001-04-7 cresopirine 0 94.31 MicroSource 1401414 CRESOPIRINE 194.058 CC(=O)Oc1c(C)cccc1C(O)=O XRBMKGUDDJPAMH-UHFFFAOYSA-N 78094 BRD-K58648841-001-05-9 cresopirine 0 0 Sigma MFCD00085683 3-METHYLACETYLSALICYLIC ACID 194.058 CC(=O)Oc1c(C)cccc1C(O)=O XRBMKGUDDJPAMH-UHFFFAOYSA-N 78094 BRD-K97939847-001-12-0 cridanimod 0 98.36 Sigma 17927 (9-oxo-10(9H)-acridinyl)acetic acid 253.074 OC(=O)Cn1c2ccccc2c(=O)c2ccccc12 UOMKBIIXHQIERR-UHFFFAOYSA-N 38072 BRD-K97939847-001-11-2 cridanimod 0 47.79 ChemDiv 0099-0157 253.074 OC(=O)Cn1c2ccccc2c(=O)c2ccccc12 UOMKBIIXHQIERR-UHFFFAOYSA-N 38072 BRD-K43230258-001-01-4 crisaborole 0 93.42 MedChemEx HY-10978 AN-2728 251.075 OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12 USZAGAREISWJDP-UHFFFAOYSA-N 44591583 BRD-K00004545-001-01-9 crisdesalazine 0 89.23 Sigma MFCD18633186 2-hydroxy-5-({2-[4-(trifluoromethyl)phenyl]ethyl}amino)benzoic acid 325.093 OC(=O)c1cc(NCCc2ccc(cc2)C(F)(F)F)ccc1O UTMVACIBQLDZLP-UHFFFAOYSA-N 16042343 BRD-K78431006-001-21-9 crizotinib 0 93.46 MedChemEx HY-50878 Crizotinib 449.119 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-GFCCVEGCSA-N 11626560 BRD-K78431006-001-15-1 crizotinib 0 88.86 MedChemEx HY-50878 Crizotinib 449.119 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-GFCCVEGCSA-N 11626560 BRD-K78431006-001-10-2 crizotinib 0 93.81 Selleck S1068 Crizotinib (PF-02341066) 449.119 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-GFCCVEGCSA-N 11626560 BRD-K78431006-001-11-0 crizotinib 0 89.1 Selleck S1068 Crizotinib (PF-02341066) 449.119 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-GFCCVEGCSA-N 11626560 BRD-K40308497-001-03-9 crizotinib-(S) 0 92.63 Tocris 6025 (S)-Crizotinib 449.119 C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-LBPRGKRZSA-N 56671814 BRD-K40308497-001-02-0 crizotinib-(S) 0 92.52 Selleck S7505 (S)-crizotinib 449.119 C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-LBPRGKRZSA-N 56671814 BRD-A75349800-001-01-8 BRD-K40308497-001-01-2 crizotinib-(S) 0 96.6 Selleck S7505 (S)-crizotinib 449.119 C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl KTEIFNKAUNYNJU-LBPRGKRZSA-N 56671814 BRD-K73701464-003-01-3 croconazole 0 0 AKSci K341 310.087 Clc1cccc(COc2ccccc2C(=C)n2ccnc2)c1 WHPAGCJNPTUGGD-UHFFFAOYSA-N 2880 BRD-K73701464-003-02-1 croconazole 0 0 SantaCruz sc-4958483 Cloconazole HCl 310.087 Clc1cccc(COc2ccccc2C(=C)n2ccnc2)c1 WHPAGCJNPTUGGD-UHFFFAOYSA-N 2880 BRD-K00003162-001-01-9 crolibulin 0 63.57 MedChemEx HY-13603 Crolibulin 416.048 COc1cc(cc(Br)c1OC)[C@H]1C(C#N)=C(N)Oc2c(N)c(N)ccc12 |t:15| JXONINOYTKKXQQ-CQSZACIVSA-N 23649181 BRD-M89827113-001-01-5 cromakalim 0 99.22 Tocris 1377 Cromakalim 286.132 CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N.CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N BVMDRSUIADWFLV-PNSAJKJISA-N 76968376 BRD-K20920669-304-12-9 cromoglicic-acid 0 82.3 MedChemEx HY-B0320A Cromolyn (sodium) 468.069 OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O IMZMKUWMOSJXDT-UHFFFAOYSA-N 2882 BRD-K20920669-304-10-9 cromoglicic-acid 0 95.57 MicroSource 1500210 CROMOLYN SODIUM 468.069 OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O IMZMKUWMOSJXDT-UHFFFAOYSA-N 2882 BRD-K20920669-304-09-1 cromoglicic-acid 0 100 Selleck S1911 Disodium Cromoglycate 468.069 OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O IMZMKUWMOSJXDT-UHFFFAOYSA-N 2882 BRD-K57179821-001-15-4 crotamiton 0 85.06 MicroSource 1505271 CROTAMITON 203.131 CCN(C(=O)\C=C\C)c1ccccc1C DNTGGZPQPQTDQF-XBXARRHUSA-N 688020 BRD-K57179821-001-17-9 crotamiton 0 95.53 MedChemEx HY-B1177 Crotamiton 203.131 CCN(C(=O)\C=C\C)c1ccccc1C DNTGGZPQPQTDQF-XBXARRHUSA-N 688020 BRD-K02816415-001-01-9 CRT0044876 0 96.56 Selleck S7449 CRT0044876 206.033 OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1 BIUCOFQROHIAEO-UHFFFAOYSA-N 81409 BRD-K02816415-001-02-7 CRT0044876 0 94.84 Selleck S7449 CRT0044876 206.033 OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1 BIUCOFQROHIAEO-UHFFFAOYSA-N 81409 BRD-K33336844-001-11-1 cryptotanshinone 0 66.48 MedChemEx HY-N0174 Cryptotanshinone 296.141 C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4| GVKKJJOMQCNPGB-JTQLQIEISA-N 160254 BRD-K33336844-001-10-3 cryptotanshinone 0 3.4 MedChemEx HY-N0174 Cryptotanshinone 296.141 C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4| GVKKJJOMQCNPGB-JTQLQIEISA-N 160254 BRD-K33336844-001-09-5 cryptotanshinone 0 51.1 Selleck S2285 Cryptotanshinone 296.141 C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4| GVKKJJOMQCNPGB-JTQLQIEISA-N 160254 BRD-K33336844-001-12-9 cryptotanshinone 0 3.09 Selleck S2285 Cryptotanshinone 296.141 C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4| GVKKJJOMQCNPGB-JTQLQIEISA-N 160254 BRD-K53562481-001-01-6 BRD-K00003324-003-01-9 crystal-violet 0 91.8 MedChemEx HY-B0324A Crystal Violet 372.244 "CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C |c:12,15|" LGLFFNDHMLKUMI-UHFFFAOYSA-N 3468 BRD-K15519488-050-02-1 CS-110266 0 91.98 Tocris 702 BTCP maleate 299.171 C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 RGSVXQJPSWZXOP-UHFFFAOYSA-N 123692 BRD-K15519488-001-03-2 CS-110266 0 96.55 Sigma B138-10MG BTCP hydrochloride 299.171 C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 RGSVXQJPSWZXOP-UHFFFAOYSA-N 123692 BRD-K15519488-050-01-3 CS-110266 0 94.58 Tocris 702 BTCP maleate 299.171 C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 RGSVXQJPSWZXOP-UHFFFAOYSA-N 123692 BRD-K35601925-001-02-7 CS-917 0 92.89 MedChemEx HY-16307 MB05032 302.049 CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O XJMYIJPPDSZOPN-UHFFFAOYSA-N 11289630 BRD-K35601925-001-01-9 CS-917 0 76.18 MedChemEx HY-16307 MB05032 302.049 CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O XJMYIJPPDSZOPN-UHFFFAOYSA-N 11289630 BRD-K40870905-001-02-9 CT-7758 0 97.57 MedChemEx HY-70073 Zaurategrast 520.111 OC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:26| KYHVWHYLKOHLKA-FQEVSTJZSA-N 10186367 BRD-K40870905-001-01-7 CT-7758 0 96.91 MedChemEx HY-70073 Zaurategrast 520.111 OC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:26| KYHVWHYLKOHLKA-FQEVSTJZSA-N 10186367 BRD-K00003453-003-01-9 CT7001 0 96.6 MedChemEx HY-103712A CT7001 hydrochloride 394.248 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 YCVGLKWJKIKVBI-MJGOQNOKSA-N 91844733 BRD-K30572193-001-02-0 CTEP 0 96.37 Selleck S2861 CTEP (RO4956371) 391.07 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 GOHCTCOGYKAJLZ-UHFFFAOYSA-N 11646823 BRD-K30572193-001-03-9 CTEP 0 97.17 MedChemEx HY-15445 CTEP 391.07 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 GOHCTCOGYKAJLZ-UHFFFAOYSA-N 11646823 BRD-K53508936-001-02-8 CTS-1027 0 97.14 MedChemEx HY-10398 CTS-1027 425.07 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 ROSNVSQTEGHUKU-UHFFFAOYSA-N 3342298 BRD-K53508936-001-01-0 CTS-1027 0 94.61 MedChemEx HY-10398 CTS-1027 425.07 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 ROSNVSQTEGHUKU-UHFFFAOYSA-N 3342298 BRD-K89071957-001-01-1 CTS21166 0 78.39 EMDBio 496000-250UG InSolution OM99-2 892.454 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O NIOCOJFPGCXNKL-ZKZXETMPSA-N 445649 BRD-K58234744-001-02-9 CU-CPT-4a 0 95.81 Tocris 4883 CU CPT 4a 377.029 OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1sc2cc(F)ccc2c1Cl IAASQMCXDRISAV-CYBMUJFWSA-N 53242268 BRD-K58234744-001-01-0 CU-CPT-4a 0 91.08 Tocris 4883 CU CPT 4a 377.029 OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1sc2cc(F)ccc2c1Cl IAASQMCXDRISAV-CYBMUJFWSA-N 53242268 BRD-K89462779-001-01-8 CU-T12-9 0 94.4 Tocris 5414 CU-T12-9 362.099 CNc1ccc(cc1-n1cnc(c1)-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O LITXVDAFEYLWQE-UHFFFAOYSA-N 91826088 BRD-K89462779-001-02-9 CU-T12-9 0 97.26 Tocris 5414 CU-T12-9 362.099 CNc1ccc(cc1-n1cnc(c1)-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O LITXVDAFEYLWQE-UHFFFAOYSA-N 91826088 BRD-K41278234-001-04-9 CUDC-101 0 95.43 MedChemEx HY-10223 CUDC-101 434.195 COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO PLIVFNIUGLLCEK-UHFFFAOYSA-N 24756910 BRD-K41278234-001-03-0 CUDC-101 0 94.69 Selleck S1194 CUDC-101 434.195 COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO PLIVFNIUGLLCEK-UHFFFAOYSA-N 24756910 BRD-K69351586-001-02-8 CUDC-427 0 52.21 MedChemEx HY-15835 CUDC-427 564.252 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1-c1ccccc1)-c1ncco1 HSHPBORBOJIXSQ-HARLFGEKSA-N 71600094 BRD-K69351586-001-01-0 CUDC-427 0 86.1 MedChemEx HY-15835 CUDC-427 564.252 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1-c1ccccc1)-c1ncco1 HSHPBORBOJIXSQ-HARLFGEKSA-N 71600094 BRD-K77638923-001-03-9 CUDC-907 0 95.45 MedChemEx HY-13522 Fimepinostat 508.164 COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 JOWXJLIFIIOYMS-UHFFFAOYSA-N 54575456 BRD-K77638923-001-02-0 CUDC-907 0 95.02 Selleck S2759 CUDC-907 508.164 COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 JOWXJLIFIIOYMS-UHFFFAOYSA-N 54575456 BRD-K69624312-001-01-1 CUR-61414 0 97.61 Cayman 14931 "N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-(3-methoxybenzyl)-3,3-dimethylbutanamide" 550.316 COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 WPHXYKUPFJRJDK-AHWVRZQESA-N 10392802 BRD-K07572174-001-43-6 curcumin 0 66.71 Enzo EI135 Curcumin 368.126 COc1cc(\C=C\C(O)=CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O ZIUSSTSXXLLKKK-SMSFQYLMSA-N 6971205 BRD-K69690935-001-03-5 BRD-K07572174-001-39-4 curcumin 0 91.77 Selleck S1848 Curcumin 368.126 COc1cc(\C=C\C(O)=CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O ZIUSSTSXXLLKKK-SMSFQYLMSA-N 6971205 BRD-K07572174-001-38-6 curcumin 0 64.98 Selleck S1848 Curcumin 368.126 COc1cc(\C=C\C(O)=CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O ZIUSSTSXXLLKKK-SMSFQYLMSA-N 6971205 BRD-K41933240-001-04-9 curcumol 0 75 MedChemEx HY-N0104 Curcumol 236.178 CC(C)[C@@H]1C[C@@]23O[C@]1(O)CC(=C)[C@@H]2CC[C@@H]3C QRMPRVXWPCLVNI-YYFQZIEXSA-N 14240392 BRD-K41933240-001-02-4 curcumol 0 82.1 Selleck S2407 Curcumol 236.178 CC(C)[C@@H]1C[C@@]23O[C@]1(O)CC(=C)[C@@H]2CC[C@@H]3C QRMPRVXWPCLVNI-YYFQZIEXSA-N 14240392 BRD-K41933240-001-03-2 curcumol 0 64.97 Selleck S2407 Curcumol 236.178 CC(C)[C@@H]1C[C@@]23O[C@]1(O)CC(=C)[C@@H]2CC[C@@H]3C QRMPRVXWPCLVNI-YYFQZIEXSA-N 14240392 BRD-K07241895-001-01-4 BRD-K90777969-300-03-9 cutamesine 0 94.84 Tocris 4951 SA 4503 dihydrochloride 368.246 COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC UVSWWUWQVAQPJR-UHFFFAOYSA-N 9907323 BRD-K90777969-300-01-2 cutamesine 0 95.88 MedChemEx HY-13510 SA4503 (dihydrochloride) 368.246 COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC UVSWWUWQVAQPJR-UHFFFAOYSA-N 9907323 BRD-K90777969-300-02-0 cutamesine 0 91.99 Tocris 4951 SA 4503 dihydrochloride 368.246 COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC UVSWWUWQVAQPJR-UHFFFAOYSA-N 9907323 BRD-K49197823-001-10-9 CV-1808 0 95.42 Tocris 1710 CV 1808 358.139 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O SCNILGOVBBRMBK-SDBHATRESA-N 6917803 BRD-K49197823-001-09-8 CV-1808 0 95.83 Tocris 1710 CV 1808 358.139 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O SCNILGOVBBRMBK-SDBHATRESA-N 6917803 BRD-K60659193-001-01-0 CVT-10216 0 96.41 Sigma SML1366 3-(((3-(4-(methylsulfonamido)phenyl)-4-oxo-4H-chromen-7-yl)oxy)methyl)benzoic acid 465.088 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(OCc3cccc(c3)C(O)=O)ccc2c1=O YYOOFJZTRCPVFD-UHFFFAOYSA-N 23661666 BRD-K60659193-001-02-8 CVT-10216 0 96.71 Tocris 5164 CVT 10216 465.088 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(OCc3cccc(c3)C(O)=O)ccc2c1=O YYOOFJZTRCPVFD-UHFFFAOYSA-N 23661666 BRD-K84068331-001-02-9 CW-008 0 93.01 Tocris 5495 CW 008 420.115 COc1ccn2ncc(-c3nc4n[nH]c(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1 KCIMKTNQCUDTFI-UHFFFAOYSA-N 59528098 BRD-K84068331-001-01-9 CW-008 0 92.05 Tocris 5495 CW 008 420.115 COc1ccn2ncc(-c3nc4n[nH]c(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1 KCIMKTNQCUDTFI-UHFFFAOYSA-N 59528098 BRD-K81458380-001-12-9 CX-4945 0 98.48 MedChemEx HY-50855 Silmitasertib 349.062 OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 MUOKSQABCJCOPU-UHFFFAOYSA-N 24748573 BRD-K81458380-001-04-9 CX-4945 0 98.07 Selleck S2248 CX-4945 (Silmitasertib) 349.062 OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 MUOKSQABCJCOPU-UHFFFAOYSA-N 24748573 BRD-K25140590-001-04-9 CX-516 0 92.58 Tocris 1048 1-BCP 233.105 O=C(N1CCCCC1)c1ccc2OCOc2c1 BXBNADAPIHHXJQ-UHFFFAOYSA-N 1370 BRD-K25140590-001-03-0 CX-516 0 98.29 Tocris 1048 1-BCP 233.105 O=C(N1CCCCC1)c1ccc2OCOc2c1 BXBNADAPIHHXJQ-UHFFFAOYSA-N 1370 BRD-K12787259-001-04-3 CX-5461 0 96.98 MedChemEx HY-13323 CX-5461 513.195 CN1CCCN(CC1)c1ccc2c(n1)n1c3ccccc3sc1c(C(=O)NCc1cnc(C)cn1)c2=O XGPBJCHFROADCK-UHFFFAOYSA-N 25257557 BRD-K12787259-001-05-9 CX-5461 0 85.34 MedChemEx HY-13323 CX-5461 513.195 CN1CCCN(CC1)c1ccc2c(n1)n1c3ccccc3sc1c(C(=O)NCc1cnc(C)cn1)c2=O XGPBJCHFROADCK-UHFFFAOYSA-N 25257557 BRD-K00003388-001-01-9 CXD101 0 97.26 MedChemEx HY-100748 HDAC-IN-4 403.237 Cc1nn(C)cc1CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccccc1N JHDZMASHNBKTPS-UHFFFAOYSA-N 16225380 BRD-K79353516-001-05-0 CY208-243 0 66.95 Tocris 1249 "(6aR,12bR)-7-methyl-4,6,6a,7,8,12b-hexahydroindolo[4,3-ab]phenanthridine" 274.147 CN1Cc2ccccc2[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 WRNKIDLXXXIELU-IEBWSBKVSA-N 58144 BRD-K79353516-001-04-3 CY208-243 0 12.69 Tocris 1249 CY 208-243 274.147 CN1Cc2ccccc2[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 WRNKIDLXXXIELU-IEBWSBKVSA-N 58144 BRD-K39371216-001-02-9 cyacetacide 0 0 MedChemEx HY-B0994 Cyanoacetohydrazide 99.043 NNC(=O)CC#N HPHBOJANXDKUQD-UHFFFAOYSA-N 8820 BRD-K39371216-001-01-3 cyacetacide 0 93.04 MicroSource 1502372 CYACETACIDE 99.043 NNC(=O)CC#N HPHBOJANXDKUQD-UHFFFAOYSA-N 8820 BRD-A42881122-001-01-1 cyamemazine 0 87.23 Sigma MFCD00868180 10-[3-(dimethylamino)-2-methylpropyl]-10H-phenothiazine-2-carbonitrile 323.146 "C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N |&1:1,r|" SLFGIOIONGJGRT-AWEZNQCLSA-N 14050069 BRD-A18627414-001-05-6 cyanocobalamin 0 0 MicroSource 1500844 CYANOCOBALAMIN 1355.575 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)O[P@@](O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |a:1,8,10,15,30,36,42,48,54,63,74,75,79,80,&1:70,c:16,20,24,t:22,26,29|" RMRCNWBMXRMIRW-WZHZPDAFSA-M BRD-A59561452-001-01-9 BRD-A18627414-001-06-4 cyanocobalamin 0 95.39 Sigma V6629-250MG Vitamin B12 1355.575 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)O[P@@](O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |a:1,8,10,15,30,36,42,48,54,63,74,75,79,80,&1:70,c:16,20,24,t:22,26,29|" RMRCNWBMXRMIRW-WZHZPDAFSA-M BRD-A18627414-001-04-9 cyanocobalamin 0 97.22 Selleck S1902 Vitamin B12 1355.575 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)O[P@@](O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |a:1,8,10,15,30,36,42,48,54,63,74,75,79,80,&1:70,c:16,20,24,t:22,26,29|" RMRCNWBMXRMIRW-WZHZPDAFSA-M BRD-M14495474-001-01-4|BRD-A97502381-001-01-3|BRD-M38660727-001-01-0 BRD-K01825675-051-01-9 cyanopindolol 0 96.81 Tocris 993 Cyanopindolol hemifumarate 403.174 CC(C)(C)NC[C@@H](O)COc1cccc2[nH]c(cc12)C#N |&1:6| QXIUMMLTJVHILT-GFCCVEGCSA-N 6604791 BRD-M87382116-051-02-3 BRD-K01825675-051-02-9 cyanopindolol 0 87.91 Tocris 993 Cyanopindolol hemifumarate 287.163 CC(C)(C)NC[C@@H](O)COc1cccc2[nH]c(cc12)C#N |&1:6| QXIUMMLTJVHILT-GFCCVEGCSA-N 6604791 BRD-K00003404-001-01-9 CYC065 0 95.63 MedChemEx HY-101212 CYC065 397.259 CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O DLPIYBKBHMZCJI-WBVHZDCISA-N 24983461 BRD-K64866502-001-04-7 CYC116 0 93.87 Selleck S1171 CYC116 368.142 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 GPSZYOIFQZPWEJ-UHFFFAOYSA-N 6420138 BRD-K64866502-001-03-9 CYC116 0 86.93 Selleck S1171 CYC116 368.142 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 GPSZYOIFQZPWEJ-UHFFFAOYSA-N 6420138 BRD-K50785021-001-04-7 cyclamic-acid 0 75.73 MicroSource 1502367 SODIUM CYCLAMATE 179.062 OS(=O)(=O)NC1CCCCC1 HCAJEUSONLESMK-UHFFFAOYSA-N 7533 BRD-M61995960-001-03-2 BRD-K50785021-001-05-9 cyclamic-acid 0 95.8 MedChemEx HY-B0541 Cyclamic acid 179.062 OS(=O)(=O)NC1CCCCC1 HCAJEUSONLESMK-UHFFFAOYSA-N 7533 BRD-K50785021-001-03-9 cyclamic-acid 0 77.36 MicroSource 1301015 CYCLAMIC ACID 179.062 OS(=O)(=O)NC1CCCCC1 HCAJEUSONLESMK-UHFFFAOYSA-N 7533 BRD-K50785021-001-02-1 cyclamic-acid 0 100 Selleck S4015 Cyclamic acid 179.062 OS(=O)(=O)NC1CCCCC1 HCAJEUSONLESMK-UHFFFAOYSA-N 7533 BRD-A27370296-001-03-0 cyclandelate 0 96.09 MicroSource 1505082 CYCLANDELATE 276.173 "C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)[C@@H](O)c1ccccc1 |&1:1,&2:3,&3:12,r|" WZHCOOQXZCIUNC-QEJZJMRPSA-N 41097974 BRD-A27370296-001-02-2 cyclandelate 0 89.21 Selleck S4189 Cyclandelate 276.173 "C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)[C@@H](O)c1ccccc1 |&1:1,&2:3,&3:12,r|" WZHCOOQXZCIUNC-QEJZJMRPSA-N 41097974 BRD-A27370296-001-04-8 cyclandelate 0 96.1 Selleck S4189 Cyclandelate 276.173 "C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)[C@@H](O)c1ccccc1 |&1:1,&2:3,&3:12,r|" WZHCOOQXZCIUNC-QEJZJMRPSA-N 41097974 BRD-A41840684-001-01-8 cyclic-AMP 0 100 ChemDiv 6048-0067 329.053 "Nc1ncnc2n(cnc12)[C@H]1O[C@H]2CO[P@](O)(=O)O[C@@H]2[C@@H]1O |&1:10,&2:12,&3:15,&4:19,&5:20,r|" IVOMOUWHDPKRLL-DEGSGYPDSA-N 40467852 BRD-K79501723-001-04-6 cyclizine 0 99.27 MicroSource 1500211 CYCLIZINE 266.178 CN1CCN(CC1)C(c1ccccc1)c1ccccc1 UVKZSORBKUEBAZ-UHFFFAOYSA-N 6726 BRD-K79501723-300-01-8 cyclizine 0 95.97 Selleck S4139 Cyclizine 2HCl 266.178 CN1CCN(CC1)C(c1ccccc1)c1ccccc1 UVKZSORBKUEBAZ-UHFFFAOYSA-N 6726 BRD-K79501723-300-02-6 cyclizine 0 97.09 Selleck S4139 CYCLIZINE 266.178 CN1CCN(CC1)C(c1ccccc1)c1ccccc1 UVKZSORBKUEBAZ-UHFFFAOYSA-N 6726 BRD-K42348709-003-13-1 cyclobenzaprine 0 97.11 MicroSource 1503207 CYCLOBENZAPRINE HYDROCHLORIDE 275.167 CN(C)CCC=C1c2ccccc2C=Cc2ccccc12 |c:14| JURKNVYFZMSNLP-UHFFFAOYSA-N 2895 BRD-K42348709-003-14-9 cyclobenzaprine 0 98.15 MedChemEx HY-B0740 Cyclobenzaprine (hydrochloride) 275.167 CN(C)CCC=C1c2ccccc2C=Cc2ccccc12 |c:14| JURKNVYFZMSNLP-UHFFFAOYSA-N 2895 BRD-K14379200-001-04-7 cyclocreatine 0 96.8 Sigma MFCD00134455 (2-imino-1-imidazolidinyl)acetic acid 143.069 NC1=NCCN1CC(O)=O |t:1| AMHZIUVRYRVYBA-UHFFFAOYSA-N 2896 BRD-K67536197-003-11-4 cyclocytidine 0 99.31 MicroSource 1504137 ANCITABINE HYDROCHLORIDE 225.075 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O BBDAGFIXKZCXAH-CCXZUQQUSA-N 25051 BRD-K67536197-001-02-7|BRD-K67536197-001-02-7|BRD-K67536197-001-02-7 BRD-K67536197-003-12-9 cyclocytidine 0 100 MedChemEx HY-N0093 Ancitabine (hydrochloride) 225.075 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O BBDAGFIXKZCXAH-CCXZUQQUSA-N 25051 BRD-K67536197-003-10-6 cyclocytidine 0 100 Selleck S1973 Cyclocytidine HCl 225.075 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O BBDAGFIXKZCXAH-CCXZUQQUSA-N 25051 BRD-K80834753-003-01-3 BRD-K36055864-001-19-2 cycloheximide 0 83.87 MicroSource 1502112 CYCLOHEXIMIDE 281.163 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 YPHMISFOHDHNIV-FSZOTQKASA-N 6197 BRD-K36055864-001-20-0 cycloheximide 0 89.79 Sigma MFCD00082346 "4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-piperidinedione" 281.163 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 YPHMISFOHDHNIV-FSZOTQKASA-N 6197 BRD-K58938839-001-06-9 cyclopamine 0 87.32 Apollo BIC1011 Cyclopamine 411.314 "C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:32,t:18|" QASFUMOKHFSJGL-LAFRSMQTSA-N 442972 BRD-A41250306-001-11-7 cyclopenthiazide 0 99.7 Prestwick Prestw-994 Cyclopenthiazide 379.043 "NS(=O)(=O)c1cc2c(N[C@@H](CC3CCCC3)NS2(=O)=O)cc1Cl |&1:9,r|" BKYKPTRYDKTTJY-CYBMUJFWSA-N 6604279 BRD-A41250306-001-12-9 cyclopenthiazide 0 96.49 Toronto c988420 cyclopenthiazide 379.043 "NS(=O)(=O)c1cc2c(N[C@@H](CC3CCCC3)NS2(=O)=O)cc1Cl |&1:9,r|" BKYKPTRYDKTTJY-CYBMUJFWSA-N 6604279 BRD-A77291778-003-22-0 cyclopentolate 0 94.68 MicroSource 1500212 CYCLOPENTOLATE HYDROCHLORIDE 291.183 CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 |&1:8| SKYSRIRYMSLOIN-OAHLLOKOSA-N 6604325 BRD-A77291778-001-23-9 cyclopentolate 0 83.98 Sigma MFCD00599448 CYCLOPENTOLATE 291.183 CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 |&1:8| SKYSRIRYMSLOIN-OAHLLOKOSA-N 6604325 BRD-A09722536-002-18-0 cyclophosphamide 0 83.88 MicroSource 1500213 CYCLOPHOSPHAMIDE 260.025 ClCCN(CCCl)[P@@]1(=O)NCCCO1 |r| CMSMOCZEIVJLDB-CQSZACIVSA-N 9554282 BRD-A09722536-002-19-8 cyclophosphamide 0 93.6 Selleck S2057 Cyclophosphamide monohydrate 260.025 ClCCN(CCCl)[P@@]1(=O)NCCCO1 |r| CMSMOCZEIVJLDB-CQSZACIVSA-N 9554282 BRD-A09722536-002-17-2 cyclophosphamide 0 10.02 Selleck S2057 Cyclophosphamide monohydrate 260.025 ClCCN(CCCl)[P@@]1(=O)NCCCO1 |r| CMSMOCZEIVJLDB-CQSZACIVSA-N 9554282 BRD-A10420615-001-05-1 cyclopiazonic-acid 0 99.1 Tocris 1235 "(6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol" 336.147 "CC(=O)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O |a:6,7,8,&1:3,c:3|" SZINUGQCTHLQAZ-DQYPLSBCSA-N 54682463 BRD-K93666001-001-01-8 BRD-A10420615-001-04-4 cyclopiazonic-acid 0 81.26 Tocris 1235 Cyclopiazonic acid 336.147 "CC(=O)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O |a:6,7,8,&1:3,c:3|" SZINUGQCTHLQAZ-DQYPLSBCSA-N 54682463 BRD-K87226815-001-21-3 cycloserine-(D) 0 0 MedChemEx HY-B0030 D-Cycloserine 102.043 N[C@@H]1CONC1=O DYDCUQKUCUHJBH-UWTATZPHSA-N 6234 BRD-K87226815-001-17-1 cycloserine-(D) 0 0 MicroSource 1500215 CYCLOSERINE (D) 102.043 N[C@@H]1CONC1=O DYDCUQKUCUHJBH-UWTATZPHSA-N 6234 BRD-K87226815-001-20-5 cycloserine-(D) 0 0 MedChemEx HY-B0030 D-Cycloserine 102.043 N[C@@H]1CONC1=O DYDCUQKUCUHJBH-UWTATZPHSA-N 6234 BRD-K87226815-001-18-9 cycloserine-(D) 0 0 Selleck S1998 D-Cycloserine 102.043 N[C@@H]1CONC1=O DYDCUQKUCUHJBH-UWTATZPHSA-N 6234 BRD-K53226837-001-08-4 BRD-K87226815-001-19-7 cycloserine-(D) 0 0 Selleck S1998 D-Cycloserine 102.043 N[C@@H]1CONC1=O DYDCUQKUCUHJBH-UWTATZPHSA-N 6234 BRD-K13533483-001-19-9 cyclosporin-A 0 99.24 MicroSource 1502202 CYCLOSPORINE 1201.841 "CC[C@H]1NC(=O)[C@@H]([C@@H](O)[C@@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |&1:2,&2:6,&3:7,&4:9,&5:19,&6:27,&7:36,&8:45,&9:50,&10:55,&11:64,&12:68,r|" PMATZTZNYRCHOR-MAYCVHQQSA-N BRD-K13533483-001-20-9 cyclosporin-A 0 99.52 Tocris 1101 Cyclosporin A 1201.841 "CC[C@H]1NC(=O)[C@@H]([C@@H](O)[C@@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |&1:2,&2:6,&3:7,&4:9,&5:19,&6:27,&7:36,&8:45,&9:50,&10:55,&11:64,&12:68,r|" PMATZTZNYRCHOR-MAYCVHQQSA-N BRD-K13533483-001-18-9 cyclosporin-A 0 94.88 Tocris 1101 Cyclosporin A 1201.841 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C PMATZTZNYRCHOR-CGLBZJNRSA-N 5284373 BRD-K13533483-001-16-2 cyclosporin-A 0 98.93 Selleck S2286 Cyclosporin A 1201.841 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C PMATZTZNYRCHOR-CGLBZJNRSA-N 5284373 BRD-K03152136-001-01-6 BRD-K13533483-001-17-0 cyclosporin-A 0 98.67 Selleck S1514 Cyclosporine 1201.841 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C PMATZTZNYRCHOR-CGLBZJNRSA-N 5284373 BRD-A11864475-001-02-5 BRD-A38675539-001-13-5 cyclothiazide 0 56.71 Tocris 713 Cyclothiazide 389.027 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)[C@H]2C[C@H]3C[C@@H]2C=C3)cc1Cl |&1:9,&2:14,&3:16,&4:18,r,c:21|" BOCUKUHCLICSIY-JWUFEOHASA-N 101691640 BRD-A38675539-001-11-9 cyclothiazide 0 63.11 MicroSource 1503263 CYCLOTHIAZIDE 389.027 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)[C@H]2C[C@H]3C[C@@H]2C=C3)cc1Cl |&1:9,&2:14,&3:16,&4:18,r,c:21|" BOCUKUHCLICSIY-JWUFEOHASA-N 101691640 BRD-A38675539-001-14-3 cyclothiazide 0 59.05 Sigma MFCD00210192 "3-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide" 389.027 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)[C@H]2C[C@H]3C[C@@H]2C=C3)cc1Cl |&1:9,&2:14,&3:16,&4:18,r,c:21|" BOCUKUHCLICSIY-JWUFEOHASA-N 101691640 BRD-A38639147-001-17-6 BRD-A38675539-001-12-7 cyclothiazide 0 65.61 DuPont A001186324 "3-(bicyclo[2.2.1]hept-5-en-2-yl)-6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide" 389.027 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)[C@H]2C[C@H]3C[C@@H]2C=C3)cc1Cl |&1:9,&2:14,&3:16,&4:18,r,c:21|" BOCUKUHCLICSIY-JWUFEOHASA-N 101691640 BRD-A38675539-001-10-1 cyclothiazide 0 59.16 Tocris 713 Cyclothiazide 389.027 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)[C@H]2C[C@H]3C[C@@H]2C=C3)cc1Cl |&1:9,&2:14,&3:16,&4:18,r,c:21|" BOCUKUHCLICSIY-JWUFEOHASA-N 101691640 BRD-K59866480-001-07-3 cyclovalone 0 97.7 Sigma MFCD00019515 "(2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone" 366.147 COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O DHKKONBXGAAFTB-OTYYAQKOSA-N 1550234 BRD-K59866480-001-09-9 cyclovalone 0 95.38 Sigma MFCD00019515 "2,6-DIVANILLYLIDENECYCLOHEXANONE" 366.147 COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O DHKKONBXGAAFTB-OTYYAQKOSA-N 1550234 BRD-K59866480-001-08-1 cyclovalone 0 0 Enamine Z46041679 366.147 COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O DHKKONBXGAAFTB-OTYYAQKOSA-N 1550234 BRD-K84397942-001-01-3 BRD-K27799744-001-02-8 cyclovirobuxin-D 0 100 Selleck S2402 Cyclovirobuxin D (Bebuxine) 402.361 CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC)C4(C)C GMNAPBAUIVITMI-ABNIRSKTSA-N 260439 BRD-K27799744-001-03-6 cyclovirobuxin-D 0 0 Selleck S2402 Cyclovirobuxin D 402.361 CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC)C4(C)C GMNAPBAUIVITMI-ABNIRSKTSA-N 260439 BRD-K35479987-001-01-5 BRD-K27799744-001-04-4 cyclovirobuxin-D 0 100 Selleck S2402 Cyclovirobuxin D (Bebuxine) 402.361 CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC)C4(C)C GMNAPBAUIVITMI-ABNIRSKTSA-N 260439 BRD-K00005335-001-01-9 CycLuc1 0 85.83 MedChemEx HY-111653 CycLuc1 305.029 OC(=O)[C@H]1CSC(=N1)c1nc2cc3CCNc3cc2s1 |c:6| HBZBAMXERPYTFS-SECBINFHSA-N 91885395 BRD-K69877120-001-02-9 CYM-50260 0 94.06 Tocris 4677 CYM 50260 348.984 FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 FHPOTBQOUBMMCI-UHFFFAOYSA-N 44620894 BRD-K69877120-001-01-7 CYM-50260 0 96.41 Tocris 4677 CYM 50260 348.984 FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 FHPOTBQOUBMMCI-UHFFFAOYSA-N 44620894 BRD-K80666802-003-02-9 CYM-50358 0 95.52 Tocris 4679 CYM 50358 hydrochloride 388.075 Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl QWJOPXDAQCDRRM-UHFFFAOYSA-N 53358422 BRD-K80666802-003-01-0 CYM-50358 0 97.71 Tocris 4679 CYM 50358 hydrochloride 388.075 Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl QWJOPXDAQCDRRM-UHFFFAOYSA-N 53358422 BRD-K27732927-001-04-9 CYM-50769 0 98.57 Tocris 4948 CYM 50769 416.093 COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1 QHVSQUYCVUHYKT-UHFFFAOYSA-N 50904505 BRD-K27732927-001-03-6 CYM-50769 0 98.77 Tocris 4948 CYM 50769 416.093 COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc34)c2=O)cc1 QHVSQUYCVUHYKT-UHFFFAOYSA-N 50904505 BRD-A43005764-003-01-5 CYM-5442 0 97.43 Tocris 3601 CYM 5442 hydrochloride 409.2 CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2[C@@H](CCc12)NCCO |&1:22| NUIKTBLZSPQGCP-LJQANCHMSA-N 93977386 BRD-A43005764-003-02-9 CYM-5442 0 96.42 Tocris 3601 CYM 5442 hydrochloride 409.2 CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2[C@@H](CCc12)NCCO |&1:22| NUIKTBLZSPQGCP-LJQANCHMSA-N 93977386 BRD-K29151923-001-01-5 CYM-5520 0 96.49 Tocris 5418 CYM 5520 345.148 Cc1cc(C(=O)Cn2cc(ccc2=O)C#N)c(C)n1Cc1ccccc1 FMYGNANMYYHBSU-UHFFFAOYSA-N 25110470 BRD-K29151923-001-02-9 CYM-5520 0 98.49 Tocris 5418 CYM5520 345.148 Cc1cc(C(=O)Cn2cc(ccc2=O)C#N)c(C)n1Cc1ccccc1 FMYGNANMYYHBSU-UHFFFAOYSA-N 25110470 BRD-K75940276-001-04-9 CYM-5541 0 84.02 Tocris 4897 CYM 5541 316.215 O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1 NDKGACIWVAOUQH-UHFFFAOYSA-N 17253208 BRD-K75940276-001-03-3 CYM-5541 0 93.59 Tocris 4897 CYM 5541 316.215 O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1 NDKGACIWVAOUQH-UHFFFAOYSA-N 17253208 BRD-A62798249-001-04-4 cypermethrin 0 42.23 MicroSource 1503606 CYPERMETHRIN 415.074 "CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 |&1:3,&2:8,&3:12,r|" KAATUXNTWXVJKI-CMKODMSKSA-N 12617361 BRD-A62798249-001-05-9 cypermethrin 0 0 LKT C9660 Cypermethrin 415.074 "CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 |&1:3,&2:8,&3:12,r|" KAATUXNTWXVJKI-CMKODMSKSA-N 12617361 BRD-K28143534-003-26-7 cyproheptadine 0 0 MicroSource 1505973 CYPROHEPTADINE HYDROCHLORIDE 287.167 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:16| JJCFRYNCJDLXIK-UHFFFAOYSA-N 2913 BRD-K28143534-001-02-2 cyproheptadine 0 98.68 MicroSource 1505973 CYPROHEPTADINE HYDROCHLORIDE 287.167 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:16| JJCFRYNCJDLXIK-UHFFFAOYSA-N 2913 BRD-K28143534-003-25-9 cyproheptadine 0 98.46 Tocris 996 Cyproheptadine hydrochloride 287.167 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:16| JJCFRYNCJDLXIK-UHFFFAOYSA-N 2913 BRD-K28143534-003-24-2 cyproheptadine 0 98.41 Selleck S2044 Cyproheptadine HCl 287.167 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:16| JJCFRYNCJDLXIK-UHFFFAOYSA-N 2913 BRD-K41141507-001-17-0 cyproterone-acetate 0 92.44 MicroSource 1500216 CYPROTERONE ACETATE 416.175 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" UWFYSQMTEOIJJG-FDTZYFLXSA-N 9880 BRD-A95207036-001-04-4 BRD-K41141507-001-15-4 cyproterone-acetate 0 89.99 Sigma MFCD00864671 "(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-10-chloro-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate" 416.175 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" UWFYSQMTEOIJJG-FDTZYFLXSA-N 9880 BRD-K41141507-001-18-9 cyproterone-acetate 0 0 MedChemEx HY-13604 Cyproterone (acetate) 416.175 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" UWFYSQMTEOIJJG-FDTZYFLXSA-N 9880 BRD-K41141507-001-16-2 cyproterone-acetate 0 94.11 Selleck S2042 Cyproterone Acetate 416.175 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" UWFYSQMTEOIJJG-FDTZYFLXSA-N 9880 BRD-K59573506-001-01-8 BRD-K36711084-001-02-0 cyromazine 0 99.31 MicroSource 1505903 CYROMAZINE 166.097 Nc1nc(N)nc(NC2CC2)n1 LVQDKIWDGQRHTE-UHFFFAOYSA-N 47866 BRD-K36711084-001-01-2 cyromazine 0 97.92 Selleck S4167 Cyromazine 166.097 Nc1nc(N)nc(NC2CC2)n1 LVQDKIWDGQRHTE-UHFFFAOYSA-N 47866 BRD-K92611362-003-03-9 cysteamine 1 100 MedChemEx HY-77591 Cysteamine hydrochloride 77.03 NCCS UFULAYFCSOUIOV-UHFFFAOYSA-N 6058 BRD-K92611362-001-02-6 cysteamine 1 0 MicroSource 1504226 CYSTEAMINE HYDROCHLORIDE 77.03 NCCS UFULAYFCSOUIOV-UHFFFAOYSA-N 6058 BRD-M77687198-001-11-4 BRD-K23363278-001-02-1 CYT-997 0 96.56 Selleck S2195 434.243 CCC[C@H](Nc1nc(ncc1C)-c1ccc(NC(=O)NCC)c(OC)c1)c1cccnc1 MTJHLONVHHPNSI-IBGZPJMESA-N 11351021 BRD-K87737963-001-09-9 cyt387 0 95.39 MedChemEx HY-10961 Momelotinib 414.18 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 ZVHNDZWQTBEVRY-UHFFFAOYSA-N 25062766 BRD-K87737963-001-07-8 cyt387 0 90.97 Selleck S2219 Momelotinib (CYT387) 414.18 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 ZVHNDZWQTBEVRY-UHFFFAOYSA-N 25062766 BRD-K87737963-001-06-0 cyt387 0 95.48 Selleck S2219 CYT387 414.18 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 ZVHNDZWQTBEVRY-UHFFFAOYSA-N 25062766 BRD-K33106058-001-20-0 cytarabine 0 90.88 Selleck S1648 Cytarabine 243.086 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 UHDGCWIWMRVCDJ-CCXZUQQUSA-N 6253 BRD-K71847383-001-07-5 BRD-K71847383-001-12-5 cytidine 0 100 Selleck S2053 Cytidine 243.086 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 UHDGCWIWMRVCDJ-XVFCMESISA-N 6175 BRD-K33106058-001-16-8 BRD-K71847383-001-03-4 cytidine 0 Sigma C4654 Cytidine 243.086 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1" 6175 BRD-K71847383-001-13-3 cytidine 0 MicroSource 1500217 CYTARABINE 243.086 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1" 6175 BRD-K74186897-001-13-2 cytisine 0 93.11 MicroSource 1504027 CYTISINE 190.111 O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 ANJTVLIZGCUXLD-DTWKUNHWSA-N 10235 BRD-A55579717-001-04-0 BRD-K74186897-001-11-6 cytisine 0 89.64 Tocris 1390 (-)-Cytisine 190.111 O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 ANJTVLIZGCUXLD-DTWKUNHWSA-N 10235 BRD-K74186897-001-10-8 cytisine 0 79.25 Selleck S2287 Cytisine 190.111 O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 ANJTVLIZGCUXLD-DTWKUNHWSA-N 10235 BRD-K74186897-001-12-4 cytisine 0 98.23 Selleck S2287 "Cytisine (Baphitoxine, Sophorine)" 190.111 O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 ANJTVLIZGCUXLD-DTWKUNHWSA-N 10235 BRD-K26664453-001-13-9 cytochalasin-B 0 93.35 Tocris 5474 Cytochalasin B 479.267 "C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C |t:20,30|" GBOGMAARMMDZGR-TYHYBEHESA-N 5311281 BRD-K48988407-001-01-2 cytochlor 0 100 Berry PY 7114 261.052 Nc1nc(=O)n(cc1Cl)[C@H]1C[C@@H](O)[C@@H](CO)O1 NGGRGTWYSXYVDK-FSDSQADBSA-N 92132144 BRD-K87021635-003-03-9 CZC-54252 0 98.82 Tocris 4534 CZC 54252 hydrochloride 504.135 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1 CLGWUCNXOBLWFM-UHFFFAOYSA-N 44252734 BRD-K87021635-003-02-2 CZC-54252 0 96.05 Tocris 4534 CZC 54252 hydrochloride 504.135 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1 CLGWUCNXOBLWFM-UHFFFAOYSA-N 44252734 BRD-K01377300-001-01-1 CZC24832 0 96.68 Selleck S7018 CZC24832 364.112 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1 RXRZPHQBTHQXSV-UHFFFAOYSA-N 42623951 BRD-K01377300-001-02-9 CZC24832 0 98.69 Tocris 4674 CZC 24832 364.112 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1 RXRZPHQBTHQXSV-UHFFFAOYSA-N 42623951 BRD-K74377520-001-01-7 D-(+)-maltose 0 100 MicroSource 1301024 D-(+)-MALTOSE 342.116 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O GUBGYTABKSRVRQ-QUYVBRFLSA-N 6255 BRD-K74377520-001-02-9 D-(+)-maltose 0 100 Sigma MFCD00062317 "(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol" 342.116 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O GUBGYTABKSRVRQ-QUYVBRFLSA-N 6255 BRD-K29066607-001-02-9 D-157495 0 94.7 MedChemEx HY-102020 RG3039 431.128 Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 MNLHFGXIUJNDAF-UHFFFAOYSA-N 53258905 BRD-K00003205-003-01-9 D-3263 0 90.23 MedChemEx HY-16162A D-3263 (hydrochloride) 373.237 COc1ccc2n(C(=O)[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(=O)n(CCN)c2c1 ZGTYTFYRCIRWBL-HYVNUMGLSA-N 44137358 BRD-K09132007-001-07-5 D-4476 0 96.91 Tocris 2902 D 4476 398.138 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1 DPDZHVCKYBCJHW-UHFFFAOYSA-N 6419753 BRD-K09132007-001-11-7 D-4476 0 95.61 Tocris 2902 D 4476 398.138 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1 DPDZHVCKYBCJHW-UHFFFAOYSA-N 6419753 BRD-K26997899-001-03-9 D-64131 0 95.78 Tocris 1643 D-64131 251.095 COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1 ICMIJSRDISNKOC-UHFFFAOYSA-N 3921152 BRD-K26997899-001-02-2 D-64131 0 98.74 Tocris 1643 D-64131 251.095 COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1 ICMIJSRDISNKOC-UHFFFAOYSA-N 3921152 BRD-K32372024-001-01-0 D-7193 1 0 ChemImpex 4347 324.045 CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(O)=O)C(O)=O YTPQSLLEROSACP-YUMQZZPRSA-N 6995101 BRD-K64636206-001-02-7 D-alpha-tocopheryl-succinate 0 93.52 SantaCruz sc-200141 D-??-Tocopheryl Succinate 530.397 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(O)=O)c(C)c(C)c2O1 IELOKBJPULMYRW-NJQVLOCASA-N 20353 BRD-K04657451-001-01-0 D-delta-tocopherol 0 91.79 Acros 42105 "D-delta-Tocopherol, 93%" 402.35 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 GZIFEOYASATJEH-VHFRWLAGSA-N 92094 BRD-K20879694-001-01-7 D-limonene 0 0 Sigma MFCD00062991 (4R)-4-isopropenyl-1-methyl-1-cyclohexene 136.125 CC(=C)[C@@H]1CCC(C)=CC1 |c:7| XMGQYMWWDOXHJM-JTQLQIEISA-N 440917 BRD-K20879694-001-02-5 D-limonene 0 0 MicroSource 307080 d-LIMONENE 136.125 CC(=C)[C@@H]1CCC(C)=CC1 |c:7| XMGQYMWWDOXHJM-JTQLQIEISA-N 440917 BRD-A81494260-001-02-5 BRD-K00911807-003-01-2 D-phenylalanine 0 84.31 MicroSource 1503391 D-PHENYLALANINE 165.079 N[C@H](Cc1ccccc1)C(O)=O COLNVLDHVKWLRT-MRVPVSSYSA-N 71567 BRD-K00911807-001-03-2 D-phenylalanine 0 72.63 Selleck S4153 D-Phenylalanine 165.079 N[C@H](Cc1ccccc1)C(O)=O COLNVLDHVKWLRT-MRVPVSSYSA-N 71567 BRD-K00911807-001-04-0 D-phenylalanine 0 100 Selleck S4153 D-Phenylalanine 165.079 N[C@H](Cc1ccccc1)C(O)=O COLNVLDHVKWLRT-MRVPVSSYSA-N 71567 BRD-K71822263-001-03-2 D-serine 0 100 Enzo AC392 D-Serine 105.043 N[C@H](CO)C(O)=O MTCFGRXMJLQNBG-UWTATZPHSA-N 71077 BRD-K71822263-001-04-9 D-serine 0 0 Tocris 226 D-Serine 105.043 N[C@H](CO)C(O)=O MTCFGRXMJLQNBG-UWTATZPHSA-N 71077 BRD-A05674712-001-06-0 "D,L-mevalonic-acid-lactone" 1 0 Prestwick Prestw-750 "Mevalonic-D, L acid lactone" 130.063 "C[C@@]1(O)CCOC(=O)C1 |&1:1,r|" JYVXNLLUYHCIIH-ZCFIWIBFSA-N 6419891 BRD-A77118605-237-09-5 D609 0 86.67 MedChemEx HY-70072 D609 228.064 SC(=S)OC1CC2CC1C1CCCC21 PWLXJBSAUKKGCM-UHFFFAOYSA-N 4234241 BRD-A77118605-237-08-7 D609 0 77.18 MedChemEx HY-70072 D609 228.064 SC(=S)OC1CC2CC1C1CCCC21 PWLXJBSAUKKGCM-UHFFFAOYSA-N 4234241 BRD-A77118605-237-07-9 D609 0 57.69 Enzo ST330 D609 228.064 SC(=S)OC1CC2CC1C1CCCC21 PWLXJBSAUKKGCM-UHFFFAOYSA-N 4234241 BRD-A77118605-237-06-1 D609 0 37.75 Tocris 1437 D609 228.064 SC(=S)OC1CC2CC1C1CCCC21 PWLXJBSAUKKGCM-UHFFFAOYSA-N 4234241 BRD-K01080633-001-02-9 DAA-1106 0 95.53 MedChemEx HY-19945 DAA-1106 395.153 COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 DCRZYADKQRHHSF-UHFFFAOYSA-N 10430788 BRD-K01080633-001-01-9 DAA-1106 0 98.31 MedChemEx HY-19945 DAA-1106 395.153 COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 DCRZYADKQRHHSF-UHFFFAOYSA-N 10430788 BRD-K38168441-001-04-5 dabigatran 0 66.71 MedChemEx HY-10163 Dabigatran 471.202 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 YBSJFWOBGCMAKL-UHFFFAOYSA-N 216210 BRD-K38168441-001-02-9 dabigatran 0 69.2 Selleck S2196 "BIBR 953 (Dabigatran etexilate, Pradaxa)" 471.202 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 YBSJFWOBGCMAKL-UHFFFAOYSA-N 216210 BRD-K38168441-001-05-2 dabigatran 0 65.98 MedChemEx HY-10163 Dabigatran 471.202 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 YBSJFWOBGCMAKL-UHFFFAOYSA-N 216210 BRD-K38168441-001-03-7 dabigatran 0 77.34 Selleck S2196 "BIBR 953 (Dabigatran etexilate, Pradaxa)" 471.202 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 YBSJFWOBGCMAKL-UHFFFAOYSA-N 216210 BRD-K57041787-001-03-9 dabigatran-etexilate 0 98.31 MedChemEx HY-10274 Dabigatran etexilate 627.317 CCCCCCOC(=O)\N=C(\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 KSGXQBZTULBEEQ-UHFFFAOYSA-N 9578572 BRD-K57041787-066-01-1 dabigatran-etexilate 0 22.21 MicroSource 1503900 DABIGATRAN ETEXILATE MESYLATE 627.317 CCCCCCOC(=O)\N=C(\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 KSGXQBZTULBEEQ-UHFFFAOYSA-N 9578572 BRD-K57041787-001-02-6 dabigatran-etexilate 0 92.78 Selleck S2154 Dabigatran Etexilate 627.317 CCCCCCOC(=O)\N=C(\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 KSGXQBZTULBEEQ-UHFFFAOYSA-N 9578572 BRD-K09951645-001-11-8 dabrafenib 0 97.66 Selleck S2807 Dabrafenib 519.101 CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F BFSMGDJOXZAERB-UHFFFAOYSA-N 44462760 BRD-K09951645-001-08-4 dabrafenib 0 98.14 MedChemEx HY-14660 dabrafenib 519.101 CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F BFSMGDJOXZAERB-UHFFFAOYSA-N 44462760 BRD-K09951645-001-06-8 dabrafenib 0 91.96 Selleck S2807 Dabrafenib (GSK2118436) 519.101 CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F BFSMGDJOXZAERB-UHFFFAOYSA-N 44462760 BRD-K35520305-001-17-7 dacarbazine 0 98.92 MicroSource 1500218 DACARBAZINE 182.092 CN(C)\N=N\c1nc[nH]c1C(N)=O FDKXTQMXEQVLRF-ZHACJKMWSA-N 135398738 BRD-K35520305-001-16-9 dacarbazine 0 93.54 Selleck S1221 Dacarbazine 182.092 CN(C)\N=N\c1nc[nH]c1C(N)=O FDKXTQMXEQVLRF-ZHACJKMWSA-N 135398738 BRD-K56957086-001-09-7 dacinostat 0 87.84 Selleck S1095 "LAQ824 (NVP-LAQ824, Dacinostat)" 379.19 OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 BWDQBBCUWLSASG-MDZDMXLPSA-N 6445533 BRD-K56957086-001-06-3 dacinostat 0 87.31 Selleck S1095 LAQ824 (Dacinostat) 379.19 OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 BWDQBBCUWLSASG-MDZDMXLPSA-N 6445533 BRD-K82861010-001-02-5 daclatasvir 0 94.53 Selleck S1482 Daclatasvir (BMS-790052) 738.385 COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C FKRSSPOQAMALKA-CUPIEXAXSA-N 25154714 BRD-K82861010-001-03-3 daclatasvir 0 94.8 Selleck S1482 Daclatasvir (BMS-790052) 738.385 COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C FKRSSPOQAMALKA-CUPIEXAXSA-N 25154714 BRD-K57169635-001-05-9 dacomitinib 0 97.34 Tocris 6231 Dacomitinib 469.168 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 LVXJQMNHJWSHET-AATRIKPKSA-N 11511120 BRD-K57169635-001-04-5 dacomitinib 0 95.48 Selleck S2727 "Dacomitinib (PF299804, PF299)" 469.168 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 LVXJQMNHJWSHET-AATRIKPKSA-N 11511120 BRD-K70578146-001-06-7 dactinomycin 0 77.87 MicroSource 330001 DACTINOMYCIN 1254.628 CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O RJURFGZVJUQBHK-IIXSONLDSA-N 457193 BRD-K42095107-001-22-1 daidzein 0 93.17 Tocris 1417 Daidzein 254.058 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N 5281708 BRD-K42095107-001-18-9 daidzein 0 87.82 Enzo T110 Daidzein 254.058 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N 5281708 BRD-K42095107-001-21-3 daidzein 0 97.99 Selleck S1849 Daidzein 254.058 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N 5281708 BRD-K42095107-001-16-3 daidzein 0 89.48 Selleck S1849 Daidzein 254.058 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N 5281708 BRD-K42095107-001-17-1 daidzein 0 94.14 Tocris 1417 Daidzein 254.058 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N 5281708 BRD-K12979078-001-02-9 daidzin 0 90.05 MedChemEx HY-N0018 Daidzin 416.111 OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O KYQZWONCHDNPDP-QNDFHXLGSA-N 107971 BRD-A89196962-300-01-7 dalargin 0 79.63 InterBioScreen STOCK1N-27439 725.386 "CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |a:23,41,&1:4,&2:8,&3:28|" GDPHPXYFLPDZGH-ABDYMBPTSA-N BRD-K30177383-001-02-9 dalbavancin 0 92.67 MedChemEx HY-17586 Dalbavancin 1814.609 CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2 KGPGQDLTDHGEGT-SZUNQUCBSA-N 16134627 BRD-K30177383-001-01-0 dalbavancin 0 68.91 MedChemEx HY-17586 Dalbavancin 1814.609 CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2 KGPGQDLTDHGEGT-SZUNQUCBSA-N 16134627 BRD-K18849474-001-05-9 dalcetrapib 0 92.83 MedChemEx HY-14950 Dalcetrapib 389.239 CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C YZQLWPMZQVHJED-UHFFFAOYSA-N 6918540 BRD-K18849474-001-04-4 dalcetrapib 0 95.55 Selleck S2772 Dalcetrapib??JTT-705?? 389.239 CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C YZQLWPMZQVHJED-UHFFFAOYSA-N 6918540 BRD-K18849474-001-03-6 dalcetrapib 0 58.55 Selleck S2772 "Dalcetrapib (JTT-705, RO4607381)" 389.239 CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C YZQLWPMZQVHJED-UHFFFAOYSA-N 6918540 BRD-K22482860-001-21-4 dalfampridine 0 97.14 MicroSource 1501130 FAMPRIDINE 94.053 Nc1ccncc1 NUKYPUAOHBNCPY-UHFFFAOYSA-N 1727 BRD-K22482860-001-20-6 dalfampridine 0 96.6 Tocris 940 4-Aminopyridine 94.053 Nc1ccncc1 NUKYPUAOHBNCPY-UHFFFAOYSA-N 1727 BRD-K00003321-001-01-9 dalfopristin 0 79.72 MedChemEx HY-A0241 Dalfopristin 690.33 "[H][C@]12[C@@H](CCN1C(=O)c1coc(CC(=O)C[C@H](O)\C=C(/C)\C=C/CNC(=O)\C=C\[C@@H](C)[C@@H](OC2=O)C(C)C)n1)S(=O)(=O)CCN(CC)CC |c:19,22,t:28|" SUYRLXYYZQTJHF-FENKCRFESA-N 124201618 BRD-K26813177-001-03-2 daltroban 0 94.94 Sigma D7441 [4-(2-{[(4-chlorophenyl)sulfonyl]amino}ethyl)phenyl]acetic acid 353.049 OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 IULOBWFWYDMECP-UHFFFAOYSA-N 54343 BRD-K83452553-001-07-9 daminozide 0 100 Tocris 4684 Daminozide 160.085 CN(C)NC(=O)CCC(O)=O NOQGZXFMHARMLW-UHFFFAOYSA-N 72200802 BRD-K83452553-001-05-8 daminozide 0 63.13 Tocris 4684 Daminozide 160.085 CN(C)NC(=O)CCC(O)=O NOQGZXFMHARMLW-UHFFFAOYSA-N 72200802 BRD-K48970916-001-14-9 danazol 0 92.26 MedChemEx HY-B1029 Danazol 337.204 C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8| POZRVZJJTULAOH-LHZXLZLDSA-N 28417 BRD-K35589454-003-02-9 danegaptide 0 88.96 MedChemEx HY-10913A Danegaptide Hydrochloride 291.122 NCC(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)c1ccccc1 BIZKIHUJGMSVFD-MNOVXSKESA-N 16656685 BRD-K35589454-003-01-1 danegaptide 0 85.91 MedChemEx HY-10913A GAP-134 (Hydrochloride) 291.122 NCC(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)c1ccccc1 BIZKIHUJGMSVFD-MNOVXSKESA-N 16656685 BRD-K13769342-001-01-5 danirixin 0 94.48 MedChemEx HY-19768 Danirixin 441.093 Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@H]1CCCNC1 NGYNBSHYFOFVLS-LBPRGKRZSA-N 24780598 BRD-K45916615-066-04-9 danofloxacin 0 94.89 MedChemEx HY-B0501 Danofloxacin (mesylate) 357.149 CN1C[C@@H]2C[C@H]1CN2c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 QMLVECGLEOSESV-RYUDHWBXSA-N 71335 BRD-K45916615-066-02-5 danofloxacin 0 95.15 Selleck S3058 Danofloxacin Mesylate 357.149 CN1C[C@@H]2C[C@H]1CN2c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 QMLVECGLEOSESV-RYUDHWBXSA-N 71335 BRD-K08111240-001-03-9 danoprevir 0 92.83 MedChemEx HY-10238 Danoprevir 731.3 CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:14| ZVTDLPBHTSMEJZ-JSZLBQEHSA-N 11285588 BRD-K08111240-001-02-8 danoprevir 0 94.01 Selleck S1183 Danoprevir (ITMN-191) 731.3 CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:14| ZVTDLPBHTSMEJZ-JSZLBQEHSA-N 11285588 BRD-K81272440-236-13-5 dantrolene 0 97.08 MicroSource 1503209 DANTROLENE SODIUM 314.065 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1 OZOMQRBLCMDCEG-VIZOYTHASA-N 6914273 BRD-K81272440-236-14-9 dantrolene 0 94.15 Tocris 507 "Dantrolene, sodium salt" 314.065 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1 OZOMQRBLCMDCEG-VIZOYTHASA-N 6914273 BRD-K81272440-236-12-7 dantrolene 0 93.13 Tocris 507 "Dantrolene, sodium salt" 314.065 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1 OZOMQRBLCMDCEG-VIZOYTHASA-N 6914273 BRD-K10065684-001-07-4 dantron 0 96.26 MicroSource 211468 DANTHRON 240.042 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 QBPFLULOKWLNNW-UHFFFAOYSA-N 2950 BRD-K10065684-001-08-9 dantron 0 94.95 MedChemEx HY-B0923 Danthron 240.042 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 QBPFLULOKWLNNW-UHFFFAOYSA-N 2950 BRD-K07881437-001-03-8 danusertib 0 88.9 Selleck S1107 Danusertib (PHA-739358) 474.238 CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 XKFTZKGMDDZMJI-HSZRJFAPSA-N 11442891 BRD-K07881437-001-04-6 danusertib 0 93.08 Selleck S1107 Danusertib (PHA-739358) 474.238 CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 XKFTZKGMDDZMJI-HSZRJFAPSA-N 11442891 BRD-K58160573-001-04-7 dapagliflozin 0 89.07 MicroSource 1506320 DAPAGLIFLOZIN 408.134 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 JVHXJTBJCFBINQ-ADAARDCZSA-N 9887712 BRD-K58160573-001-05-4 dapagliflozin 0 98 Selleck S1548 Dapagliflozin 408.134 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 JVHXJTBJCFBINQ-ADAARDCZSA-N 9887712 BRD-K46604138-001-01-3 BRD-K00004659-001-01-9 dapansutrile 0 0 Enamine EN300-332757 3-methanesulfonylpropanenitrile 133.02 CS(=O)(=O)CCC#N LQFRYKBDZNPJSW-UHFFFAOYSA-N 12714644 BRD-K61269089-001-05-5 daphnetin 0 91.06 Selleck S2554 Daphnetin 178.027 Oc1ccc2ccc(=O)oc2c1O ATEFPOUAMCWAQS-UHFFFAOYSA-N 5280569 BRD-K61269089-001-06-9 daphnetin 0 96.19 MedChemEx HY-N0281 Daphnetin 178.027 Oc1ccc2ccc(=O)oc2c1O ATEFPOUAMCWAQS-UHFFFAOYSA-N 5280569 BRD-K33133047-001-01-8 dapiprazole 0 99.76 AvaChem 3081B "3-{2-[4-(2-methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine" 325.227 Cc1ccccc1N1CCN(CCc2nnc3CCCCn23)CC1 RFWZESUMWJKKRN-UHFFFAOYSA-N 3033538 BRD-K12885236-001-02-7 dapivirine 0 97.99 Selleck S2914 Dapivirine (TMC120) 329.164 Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 ILAYIAGXTHKHNT-UHFFFAOYSA-N 214347 BRD-K12885236-001-03-9 dapivirine 0 99.06 MedChemEx HY-14266 Dapivirine 329.164 Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 ILAYIAGXTHKHNT-UHFFFAOYSA-N 214347 BRD-K51579475-003-02-4 dapoxetine 0 98.79 Selleck S1869 Dapoxetine HCl 305.178 CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1 USRHYDPUVLEVMC-FQEVSTJZSA-N 71353 BRD-K51579475-003-03-2 dapoxetine 0 99.38 Selleck S1869 Dapoxetine hydrochloride (Priligy) 305.178 CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1 USRHYDPUVLEVMC-FQEVSTJZSA-N 71353 BRD-K06455935-001-02-9 daprodustat 0 94.74 MedChemEx HY-17608 Daprodustat 393.19 OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O NVTKJBXOBFRPLQ-UHFFFAOYSA-N 24831508 BRD-K06455935-001-01-3 daprodustat 0 93.43 MedChemEx HY-17608 Daprodustat 393.19 OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O NVTKJBXOBFRPLQ-UHFFFAOYSA-N 24831508 BRD-K62363391-001-26-9 dapsone 0 96.82 MedChemEx HY-B0688 Dapsone 248.062 Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 MQJKPEGWNLWLTK-UHFFFAOYSA-N 2955 BRD-K62363391-001-24-9 dapsone 0 98.4 MicroSource 1500222 DAPSONE 248.062 Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 MQJKPEGWNLWLTK-UHFFFAOYSA-N 2955 BRD-K47177710-001-04-9 DAPT 0 95.24 Tocris 2634 DAPT 432.186 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 DWJXYEABWRJFSP-XOBRGWDASA-N 5311272 BRD-K47177710-001-03-1 DAPT 0 96.31 Tocris 2634 DAPT 432.186 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 DWJXYEABWRJFSP-XOBRGWDASA-N 5311272 BRD-K47177710-001-05-9 DAPT 0 95.69 Tocris 2634 DAPT 432.186 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 DWJXYEABWRJFSP-XOBRGWDASA-N 5311272 BRD-K47177710-001-02-3 DAPT 0 96.05 Selleck S2215 DAPT (GSI-IX) 432.186 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 DWJXYEABWRJFSP-XOBRGWDASA-N 5311272 BRD-K00003611-001-01-9 daptomycin 0 74.27 MedChemEx HY-B0108 Daptomycin 1619.71 [H][C@]1(CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@]([H])(CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCCC)[C@@H](C)OC(=O)[C@]([H])(CC(=O)c2ccccc2N)NC(=O)[C@@]([H])(NC1=O)[C@H](C)CC(O)=O DOAKLVKFURWEDJ-QCMAZARJSA-N 21585658 BRD-K19085898-001-02-9 darapladib 0 97.95 MedChemEx HY-10521 Darapladib 666.265 CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 WDPFJWLDPVQCAJ-UHFFFAOYSA-N 9939609 BRD-K19085898-001-01-8 darapladib 0 94.14 MedChemEx HY-10521 Darapladib 666.265 CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 WDPFJWLDPVQCAJ-UHFFFAOYSA-N 9939609 BRD-K82908348-001-01-9 darglitazone 0 96.02 Cayman 17681 "5-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzyl}-1,3-thiazolidine-2,4-dione" 420.114 Cc1oc(nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1)-c1ccccc1 QQKNSPHAFATFNQ-UHFFFAOYSA-N 60870 BRD-K95773607-004-05-9 darifenacin 0 98.26 MedChemEx HY-A0012 Darifenacin (hydrobromide) 426.231 NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 HXGBXQDTNZMWGS-RUZDIDTESA-N 444031 BRD-K95773607-004-04-6 darifenacin 0 94.16 MicroSource 1505714 DARIFENACIN HYDROBROMIDE 426.231 NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 HXGBXQDTNZMWGS-RUZDIDTESA-N 444031 BRD-K95773607-001-03-4|BRD-K95773607-001-03-4|BRD-K95773607-001-03-4 BRD-K95773607-004-03-8 darifenacin 0 95.96 Selleck S3144 Darifenacin HBr 426.231 NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 HXGBXQDTNZMWGS-RUZDIDTESA-N 444031 BRD-A44971162-001-01-9 darolutamide 0 98.18 MedChemEx HY-16985 398.126 "C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)[C@@H](C)O |a:1,&1:25|" BLIJXOOIHRSQRB-NWDGAFQWSA-N 121489720 BRD-A44971162-001-02-7 darolutamide 0 98.62 Selleck S7559 ODM-201 398.126 "C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)[C@@H](C)O |a:1,&1:25|" BLIJXOOIHRSQRB-NWDGAFQWSA-N 121489720 BRD-A01259528-001-01-9 BRD-K84986517-001-01-8 darunavir 0 98.7 Selleck S1620 Darunavir Ethanolate 547.235 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 CJBJHOAVZSMMDJ-HEXNFIEUSA-N 213039 BRD-M22677129-001-01-6 BRD-K84986517-001-02-9 darunavir 0 96.65 MedChemEx HY-17040 Darunavir 547.235 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 CJBJHOAVZSMMDJ-HEXNFIEUSA-N 213039 BRD-K54863166-001-01-9 darusentan 0 98.96 Key EE-0200 "(2S)-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid" 410.148 COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 FEJVSJIALLTFRP-LJQANCHMSA-N 177236 BRD-K02943813-001-01-9 dasabuvir 0 91.31 MedChemEx HY-13998 ABT-333 493.167 COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc(NS(C)(=O)=O)ccc2c1 NBRBXGKOEOGLOI-UHFFFAOYSA-N 56640146 BRD-K02943813-001-02-9 dasabuvir 0 92.69 MedChemEx HY-13998 Dasabuvir 493.167 COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc(NS(C)(=O)=O)ccc2c1 NBRBXGKOEOGLOI-UHFFFAOYSA-N 56640146 BRD-K49328571-001-19-2 dasatinib 0 97.07 Selleck S1021 Dasatinib (BMS-354825) 487.156 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 ZBNZXTGUTAYRHI-UHFFFAOYSA-N 3062316 BRD-K49328571-001-15-0 dasatinib 0 97.6 Selleck S1021 Dasatinib 487.156 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 ZBNZXTGUTAYRHI-UHFFFAOYSA-N 3062316 BRD-K00003142-003-01-9 dasotraline 0 97.59 MedChemEx HY-12850A Dasotraline (hydrochloride) 291.058 N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 SRPXSILJHWNFMK-MEDUHNTESA-N 9947999 BRD-K31633810-003-03-6 DAU-5884 0 97.49 Tocris 2096 DAU 5884 hydrochloride 315.158 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)N1Cc2ccccc2NC1=O NWXCDQHBVVPPTL-WDNDVIMCSA-N BRD-K31633810-003-04-9 DAU-5884 0 96.02 Tocris 2096 DAU 5884 hydrochloride 315.158 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)N1Cc2ccccc2NC1=O NWXCDQHBVVPPTL-WDNDVIMCSA-N BRD-K31633810-003-02-8 DAU-5884 0 96.79 Tocris 2096 DAU 5884 hydrochloride 315.158 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)N1Cc2ccccc2NC1=O NWXCDQHBVVPPTL-WDNDVIMCSA-N BRD-K14276241-001-01-2 daucosterol 0 89.9 MedChemEx HY-N0410 Daucosterol 576.439 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |t:13| NPJICTMALKLTFW-OFUAXYCQSA-N 5742590 BRD-K43389675-001-02-1 daunorubicin 0 90.99 MicroSource 1500223 DAUNORUBICIN 527.179 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O STQGQHZAVUOBTE-VGBVRHCVSA-N 30323 BRD-K43389675-003-19-1 daunorubicin 0 94.76 Selleck S3035 Daunorubicin HCl 527.179 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O STQGQHZAVUOBTE-VGBVRHCVSA-N 30323 BRD-K91966436-003-02-3 BRD-K43389675-003-20-9 daunorubicin 0 90.21 Tocris 1467 Daunorubicin hydrochloride 527.179 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O STQGQHZAVUOBTE-VGBVRHCVSA-N 30323 BRD-K79347022-003-01-4|BRD-A68009927-003-03-7 BRD-K43389675-003-16-7 daunorubicin 0 95.52 Selleck S3035 Daunorubicin HCl (Daunomycin HCl) 527.179 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O STQGQHZAVUOBTE-VGBVRHCVSA-N 30323 BRD-K20738689-001-01-2 dazmegrel 0 98.91 Vitas-M STK094650 283.132 Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O DEQLGSOHGTZKFB-UHFFFAOYSA-N 53555 BRD-K82767007-001-01-1 dazoxiben 0 95.24 AKSci K385 232.085 OC(=O)c1ccc(OCCn2ccnc2)cc1 XQGZSYKGWHUSDH-UHFFFAOYSA-N 53001 BRD-K59204667-001-05-6 DBeQ 0 96.56 Tocris 4417 DBeQ 340.169 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1 QAIMUUJJAJBPCL-UHFFFAOYSA-N 676352 BRD-K59204667-001-03-1 DBeQ 0 96.36 Selleck S7199 DBeQ 340.169 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1 QAIMUUJJAJBPCL-UHFFFAOYSA-N 676352 BRD-K00004704-001-01-9 DBPR-211 0 95.16 AMS Q65619 "1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-4-((pyrrolidine-1-sulfonamido)methyl)-5-(5-((4-(trifluoromethyl)phenyl)ethynyl)thiophen-2-yl)-1H-pyrazole-3-carboxamide" 750.123 FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 KAIYFJUWIBTYPK-UHFFFAOYSA-N 71515460 BRD-K83020231-001-01-2 DBPR108 0 95.35 MedChemEx HY-12528 DBPR108 324.196 CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N VQKSCYBKUIDZEI-STQMWFEESA-N 44201003 BRD-K10596918-001-01-9 DC-260126 0 94.07 Tocris 5357 DC 260126 307.104 CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 CNGHPXKWPGIDSK-UHFFFAOYSA-N 2843133 BRD-K10596918-001-02-9 DC-260126 0 95.9 Tocris 5357 DC 260126 307.104 CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 CNGHPXKWPGIDSK-UHFFFAOYSA-N 2843133 BRD-K49246350-001-01-1 DCC-2618 0 97.17 MedChemEx HY-15240 c-Kit-IN-1 489.161 Cn1cc(cn1)-c1cc(Oc2cc(F)c(NC(=O)C3(CC3)C(=O)Nc3ccccc3)cc2F)ccn1 WWOXKWLDMLMYQY-UHFFFAOYSA-N 46208890 BRD-K89299012-001-08-6 DCEBIO 0 97.49 Tocris 1422 DCEBIO 230.001 CCn1c2cc(Cl)c(Cl)cc2[nH]c1=O LKHRMULASXZCLG-UHFFFAOYSA-N 656765 BRD-K89299012-001-07-8 DCEBIO 0 99.81 Tocris 1422 DCEBIO 230.001 CCn1c2cc(Cl)c(Cl)cc2[nH]c1=O LKHRMULASXZCLG-UHFFFAOYSA-N 656765 BRD-K89299012-001-06-0 DCEBIO 0 99.43 Tocris 1422 DCEBIO 230.001 CCn1c2cc(Cl)c(Cl)cc2[nH]c1=O LKHRMULASXZCLG-UHFFFAOYSA-N 656765 BRD-K00005344-001-01-9 DCP-LA 0 100 MedChemEx HY-108599 DCP-LA 308.272 "CCCCC[C@H]1C[C@H]1C[C@H]1C[C@H]1CCCCCCCC(O)=O |&1:11,&2:9,&3:7,&4:5,r|" CONYTTFKIUJZOF-ZSYWTGECSA-N 53732028 BRD-A39255369-001-03-1 DCPIB 0 88.14 Tocris 1540 DCPIB 426.136 "CCCC[C@]1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1 |&1:4,r|" KHKGTPJPBOQECW-QFIPXVFZSA-N 12761153 BRD-K61845293-300-03-9 DDR1-IN-1 0 96.23 Tocris 5077 DDR1-IN-1 dihydrochloride 552.235 CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1 AOZPVMOOEJAZGK-UHFFFAOYSA-N 72836888 BRD-K61845293-300-01-9 DDR1-IN-1 0 92.41 Tocris 5077 DDR1-IN-1 552.235 CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1 AOZPVMOOEJAZGK-UHFFFAOYSA-N 72836888 BRD-K00004562-001-01-9 deazaguanine 0 73 Sigma MFCD22194349 "6-amino-1H-imidazo[4,5-c]pyridin-4-ol" 150.054 Nc1cc2[nH]cnc2c(O)n1 KXBCLNRMQPRVTP-UHFFFAOYSA-N 55710 BRD-K00003157-001-01-9 Debio-0932 0 94.04 MedChemEx HY-13469 Debio 0932 442.215 CN(C)c1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C RVJIQAYFTOPTKK-UHFFFAOYSA-N 44156921 BRD-K80419150-001-02-4 debrisoquin 0 80.31 PrincetonBio OSSK_732122 "3,4-dihydro-2(1H)-isoquinolinecarboximidamide" 175.111 NC(=N)N1CCc2ccccc2C1 JWPGJSVJDAJRLW-UHFFFAOYSA-N 2966 BRD-K80419150-065-03-7 debrisoquin 0 67.33 MicroSource 1506066 DEBRISOQUIN SULFATE 175.111 NC(=N)N1CCc2ccccc2C1 JWPGJSVJDAJRLW-UHFFFAOYSA-N 2966 BRD-K49783248-303-15-9 decamethonium 0 99.4 MedChemEx HY-B0570 Decamethonium (Bromide) 258.303 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C MTCUAOILFDZKCO-UHFFFAOYSA-N 2968 BRD-K49783248-303-08-4 decamethonium 0 99.47 MicroSource 1505991 DECAMETHONIUM BROMIDE 258.303 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C MTCUAOILFDZKCO-UHFFFAOYSA-N 2968 BRD-K49783248-303-07-6 decamethonium 0 97.69 Selleck S4072 Decamethonium Bromide 258.303 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C MTCUAOILFDZKCO-UHFFFAOYSA-N 2968 BRD-A56320380-300-01-6 decamethoxine 0 0 Innovapharm BBS-00029292 "N1,N10-bis(2-(2-isopropyl-5-methylcyclohexyloxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride" 622.565 "CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C |&1:40,&2:36,&3:34,&4:9,&5:6,&6:3|" ZADGGFKUEYIBJC-BPBUSIJASA-N BRD-A95300432-001-01-3 decernotinib 0 97.54 MedChemEx HY-12469 Decernotinib 392.157 "CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |&1:2,r|" ASUGUQWIHMTFJL-QGZVFWFLSA-N 59422203 BRD-K79254416-001-24-2 decitabine 0 72.95 Tocris 2624 Decitabine 228.086 Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 XAUDJQYHKZQPEU-KVQBGUIXSA-N 451668 BRD-K79254416-001-22-6 decitabine 0 100 Tocris 2624 Decitabine 228.086 Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 XAUDJQYHKZQPEU-KVQBGUIXSA-N 451668 BRD-K79254416-001-31-9 decitabine 0 82 Tocris 2624 Decitabine 228.086 Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 XAUDJQYHKZQPEU-KVQBGUIXSA-N 451668 BRD-K79254416-001-21-8 decitabine 0 99.02 Selleck S1200 Decitabine 228.086 Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 XAUDJQYHKZQPEU-KVQBGUIXSA-N 451668 BRD-K00004661-001-01-9 declopramide 0 93.64 Enamine Z3027746501 4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide 269.129 CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1 YEYAKZXEBSVURO-UHFFFAOYSA-N 70177 BRD-K00003318-300-01-9 decloxizine 0 94.56 MedChemEx HY-A0075 Decloxizine (dihydrochloride) 340.215 OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 OXBBIHZWNDPBMQ-UHFFFAOYSA-N 71135 BRD-K17641316-213-01-5 decoquinate 0 3.61 MicroSource 1505356 DECOQUINATE [5mM] 417.252 CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O JHAYEQICABJSTP-UHFFFAOYSA-N 29112 BRD-K17641316-001-05-9 decoquinate 0 18.62 MedChemEx HY-B1036 Decoquinate 417.252 CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O JHAYEQICABJSTP-UHFFFAOYSA-N 29112 BRD-K17641316-001-04-8 decoquinate 0 100 MedChemEx HY-B1036 Decoquinate 417.252 CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O JHAYEQICABJSTP-UHFFFAOYSA-N 29112 BRD-K17641316-001-02-2 decoquinate 0 27.28 Selleck S4145 Decoquinate 417.252 CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O JHAYEQICABJSTP-UHFFFAOYSA-N 29112 BRD-K17641316-001-03-0 decoquinate 0 6.87 Selleck S4145 Decoquinate 417.252 CCCCCCCCCCOc1cc2c(cc1OCC)[nH]cc(C(=O)OCC)c2=O JHAYEQICABJSTP-UHFFFAOYSA-N 29112 BRD-K43578482-001-02-2 defactinib 0 97.29 MedChemEx HY-12289 Defactinib 510.141 CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 FWLMVFUGMHIOAA-UHFFFAOYSA-N 25117126 BRD-K43578482-001-01-4 defactinib 0 98.24 MedChemEx HY-12289 Defactinib 510.141 CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 FWLMVFUGMHIOAA-UHFFFAOYSA-N 25117126 BRD-K43578482-001-04-9 defactinib 0 93.47 MedChemEx HY-12289 Defactinib 510.141 CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 FWLMVFUGMHIOAA-UHFFFAOYSA-N 25117126 BRD-K97010173-001-04-1 deferasirox 0 98.39 Selleck S1712 Deferasirox 373.106 OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O BOFQWVMAQOTZIW-UHFFFAOYSA-N 214348 BRD-K97010173-001-06-9 deferasirox 0 98.55 MedChemEx HY-17359 Deferasirox 373.106 OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O BOFQWVMAQOTZIW-UHFFFAOYSA-N 214348 BRD-K00003219-001-01-9 deferasirox-iron-chelate 0 0.45 MedChemEx HY-16564 Deferasirox (Fe3+ chelate) 427.026 OC(=O)c1ccc(cc1)-n1nc-2nc1-c1ccccc1O[Fe]Oc1ccccc-21 XLHBYAVMDSNIEM-UHFFFAOYSA-L BRD-K06878038-001-20-9 deferiprone 0 98.95 MedChemEx HY-B0568 Deferiprone 139.063 Cc1c(O)c(=O)ccn1C TZXKOCQBRNJULO-UHFFFAOYSA-N 2972 BRD-K06878038-001-18-6 deferiprone 0 95.65 MicroSource 1504512 DEFERIPRONE 139.063 Cc1c(O)c(=O)ccn1C TZXKOCQBRNJULO-UHFFFAOYSA-N 2972 BRD-K06878038-001-17-8 deferiprone 0 95.25 Selleck S4067 Deferiprone 139.063 Cc1c(O)c(=O)ccn1C TZXKOCQBRNJULO-UHFFFAOYSA-N 2972 BRD-K09821361-066-24-1 deferoxamine-mesylate 0 76.96 Sigma D9533 N~1~-{5-[acetyl(hydroxy)amino]pentyl}-N~4~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~4~-hydroxysuccinamide methanesulfonate 560.353 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN UBQYURCVBFRUQT-UHFFFAOYSA-N 2973 BRD-K09821361-066-23-3 deferoxamine-mesylate 0 56.23 MicroSource 1500224 DEFEROXAMINE MESYLATE 560.353 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN UBQYURCVBFRUQT-UHFFFAOYSA-N 2973 BRD-K09821361-066-25-8 deferoxamine-mesylate 0 95.48 MedChemEx HY-B0988 Deferoxamine (mesylate) 560.353 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN UBQYURCVBFRUQT-UHFFFAOYSA-N 2973 BRD-K30468934-001-02-9 deflazacort 0 96 MedChemEx HY-13609 Deflazacort 441.215 "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C |c:23,t:8,19|" FBHSPRKOSMHSIF-GRMWVWQJSA-N 189821 BRD-K62304154-001-03-4 deforolimus 0 31.14 Selleck S1022 Deforolimus (MK-8669) 989.563 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O |c:14,33,t:29,31|" BUROJSBIWGDYCN-LKLUGXJSSA-N BRD-K62304154-001-04-2 deforolimus 0 89.39 Selleck S1022 "Ridaforolimus (Deforolimus, MK-8669)" 989.563 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O |c:14,33,t:29,31|" BUROJSBIWGDYCN-LKLUGXJSSA-N BRD-K09078998-001-01-4 BRD-K00003578-001-01-9 degarelix 0 93.66 MedChemEx HY-16168A Degarelix 1630.749 CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O MEUCPCLKGZSHTA-XYAYPHGZSA-N 16136245 BRD-K00025573-001-04-9 dehydroacetic-acid 0 86.69 MicroSource 1301016 168.042 CC(=O)c1c(O)cc(C)oc1=O PKLPQOJFHFGVBS-UHFFFAOYSA-N 54678494 BRD-K00025573-001-05-9 dehydroacetic-acid 0 0 MedChemEx HY-B1211 Dehydroacetic acid 168.042 CC(=O)c1c(O)cc(C)oc1=O PKLPQOJFHFGVBS-UHFFFAOYSA-N 54678494 BRD-A64125466-236-04-6 dehydrocholate 0 85.01 MicroSource 1500225 DEHYDROCHOLATE SODIUM 402.241 "C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1CC3=O |a:1,7,16,18,&1:10,&2:11,&3:12,&4:25|" OHXPGWPVLFPUSM-IVFZZBRKSA-N 7048656 BRD-K90976994-236-19-9 dehydrocholate-acid 0 79.34 MedChemEx HY-B0998 Dehydrocholate (sodium) 402.241 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O OHXPGWPVLFPUSM-KLRNGDHRSA-N 6674 BRD-K90976994-001-20-9 dehydrocholate-acid 0 78.3 MedChemEx HY-B1393 Dehydrocholic acid 402.241 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O OHXPGWPVLFPUSM-KLRNGDHRSA-N 6674 BRD-K67186445-001-01-3 dehydrocorydaline 0 89.27 MedChemEx HY-N0674 "2,3,9,10-tetramethoxy-13-methyl-5H,6H-isoquino[3,2-a]isoquinolinium" 366.171 COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC RFKQJTRWODZPHF-UHFFFAOYSA-N 34781 BRD-K67186445-001-02-1 dehydrocorydaline 0 91.32 MedChemEx HY-N0674 Dehydrocorydaline 366.171 COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC RFKQJTRWODZPHF-UHFFFAOYSA-N 34781 BRD-K41256143-001-13-5 dehydroepiandrosterone 0 84.51 MicroSource 1505083 PRASTERONE 288.209 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |t:7| FMGSKLZLMKYGDP-USOAJAOKSA-N 5881 BRD-A79445307-001-01-8 BRD-K41256143-001-12-7 dehydroepiandrosterone 0 100 Selleck S2604 Dehydroepiandrosterone (DHEA) 288.209 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |t:7| FMGSKLZLMKYGDP-USOAJAOKSA-N 5881 BRD-K85833139-001-01-9 BRD-K15360631-325-01-4 dehydroepiandrosterone-sulfate 0 99.5 Sigma MFCD11045975 sodium (3beta)-17-oxoandrost-5-en-3-yl sulfate dihydrate 368.166 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CCC2=O |t:7| CZWCKYRVOZZJNM-USOAJAOKSA-N 12594 BRD-K90991629-100-02-9 delafloxacin 0 94.91 MedChemEx HY-14814A Delafloxacin (meglumine) 440.05 Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(O)C3)c(Cl)c12 DYDCPNMLZGFQTM-UHFFFAOYSA-N 487101 BRD-K17480742-001-01-1 delamanid 0 97.31 Adooq A12864 "(2R)-2-methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole" 534.173 C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O XDAOLTSRNUSPPH-XMMPIXPASA-N 6480466 BRD-K59325863-001-04-4 delanzomib 0 83.82 MedChemEx HY-10454 Delanzomib 413.212 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O SJFBTAPEPRWNKH-CCKFTAQKSA-N 24800541 BRD-K59325863-001-01-0 delanzomib 0 61.62 MedChemEx HY-10454 Delanzomib 413.212 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O SJFBTAPEPRWNKH-CCKFTAQKSA-N 24800541 BRD-K59325863-001-03-6 delanzomib 0 89.99 Selleck S1157 Delanzomib (CEP-18770) 413.212 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O SJFBTAPEPRWNKH-CCKFTAQKSA-N 24800541 BRD-K84591635-001-02-1 BRD-K59325863-001-02-8 delanzomib 0 92.52 Selleck S1157 CEP-18770 (Delanzomib) 413.212 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O SJFBTAPEPRWNKH-CCKFTAQKSA-N 24800541 BRD-K84591635-001-01-3 BRD-K00573984-003-01-5 delapril 0 94.88 AKSci R741 452.231 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)C1Cc2ccccc2C1 WOUOLAUOZXOLJQ-MBSDFSHPSA-N 5362116 BRD-K34068325-066-04-5 delavirdine 0 0 Tocris 4149 Delavirdine mesylate 456.194 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 WHBIGIKBNXZKFE-UHFFFAOYSA-N 5625 BRD-K34068325-066-02-9 delavirdine 0 91.35 Sigma MFCD00866948 N-[2-({4-[3-(isopropylamino)-2-pyridinyl]-1-piperazinyl}carbonyl)-1H-indol-5-yl]methanesulfonamide methanesulfonate 456.194 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 WHBIGIKBNXZKFE-UHFFFAOYSA-N 5625 BRD-K34068325-066-01-1 delavirdine 0 25.84 Enzo GR314 Delavirdine mesylate 456.194 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 WHBIGIKBNXZKFE-UHFFFAOYSA-N 5625 BRD-K34068325-066-03-7 delavirdine 0 95.35 MedChemEx HY-10571A Delavirdine (mesylate) 456.194 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 WHBIGIKBNXZKFE-UHFFFAOYSA-N 5625 BRD-K00003468-001-01-9 delcasertib 0 46.99 MedChemEx HY-106262 Delcasertib 2878.467 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O XPXZTVWPRKJTAA-PJKOMPQUSA-N 56843747 BRD-K00003500-001-01-9 delgocitinib 0 96.08 MedChemEx HY-109053 Delgocitinib 310.154 C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 LOWWYYZBZNSPDT-ZBEGNZNMSA-N 50914062 BRD-K45503887-001-01-1 delivert 0 88.91 MedChemEx HY-13948 Angiotensin II human 1045.535 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O CZGUSIXMZVURDU-FCWOTDAASA-N 78357780 BRD-K45503887-001-02-9 delivert 0 88.63 MedChemEx HY-13948 Angiotensin II human 1045.535 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O CZGUSIXMZVURDU-FCWOTDAASA-N 78357780 BRD-K00003363-001-01-9 delpazolid 0 92.44 MedChemEx HY-100180 Delpazolid 308.128 CN1CCN(C=N1)c1ccc(cc1F)N1C[C@H](CO)OC1=O |c:5| QLUWQAFDTNAYPN-LLVKDONJSA-N 44205191 BRD-K79107392-003-02-2 delphinidin 0 0 Cayman 11012 "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride" 303.05 Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1 JKHRCGUTYDNCLE-UHFFFAOYSA-O 128853 BRD-K79107392-003-01-4 delphinidin 0 0 Cayman 11012 303.05 Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1 JKHRCGUTYDNCLE-UHFFFAOYSA-O 128853 BRD-K85776940-001-01-9 delta-tocotrienol 0 0.25 AnalytiCon NP-013307 396.303 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ODADKLYLWWCHNB-LDYBVBFYSA-N 5282350 BRD-K90830492-305-01-4 deltarasin 0 98.28 Tocris 5424 Deltarasin 603.3 C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 LTZKEDSUXKTTTC-KXQOOQHDSA-N 73292904 BRD-K90830492-305-02-9 deltarasin 0 98.91 Tocris 5424 Deltarasin 603.3 C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 LTZKEDSUXKTTTC-KXQOOQHDSA-N 73292904 BRD-K51471001-303-07-9 demecarium 0 93.17 MedChemEx HY-B1626A Demecarium Bromide 556.399 CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C RWZVPVOZTJJMNU-UHFFFAOYSA-N 5966 BRD-K51471001-303-04-7 demecarium 0 94.41 Prestwick Prestw-616 Demecarium bromide 556.399 CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C RWZVPVOZTJJMNU-UHFFFAOYSA-N 5966 BRD-K00003347-003-01-9 demeclocycline 0 55.5 MedChemEx HY-17560 Demeclocycline (hydrochloride) 464.099 "[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(=O)[C@@H](C(N)=O)C(=O)[C@@]3(O)C(=O)[C@H]1C(=O)c1c(O)ccc(Cl)c1[C@H]2O |&1:11,&2:21|" JHOHXJYRVSLQCB-AWLLFJHESA-N BRD-K34122555-057-11-5 denatonium-benzoate 0 81.39 MicroSource 1505987 DENATONIUM BENZOATE 325.228 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZFQMTVNLDNXRNQ-UHFFFAOYSA-O 15488 BRD-K34122555-057-12-9 denatonium-benzoate 0 76.25 MedChemEx HY-B1146 Denatonium (benzoate) 325.228 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZFQMTVNLDNXRNQ-UHFFFAOYSA-O 15488 BRD-K00004656-001-01-9 denopamine 0 89.63 Sigma D7815 "4-((1R)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl)phenol" 317.163 COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC VHSBBVZJABQOSG-INIZCTEOSA-N 5311064 BRD-K01773083-001-01-4 denotivir 0 98.5 Vitas-M STL450987 5-(benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide 371.05 Cc1nsc(NC(=O)c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZPBLNADJHWHOEP-UHFFFAOYSA-N 39976 BRD-A62562325-001-03-3 deoxyarbutin 0 0 Selleck S4132 Deoxyarbutin 194.094 "Oc1ccc(O[C@H]2CCCCO2)cc1 |&1:6,r|" GFBCWCDNXDKFRH-NSHDSACASA-N 11521237 BRD-A62562325-001-02-5 deoxyarbutin 0 62.84 Selleck S4132 Deoxyarbutin 194.094 "Oc1ccc(O[C@H]2CCCCO2)cc1 |&1:6,r|" GFBCWCDNXDKFRH-NSHDSACASA-N 11521237 BRD-K41170226-001-13-8 deoxycholic-acid 0 100 Enzo BL052 Deoxycholic acid 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C KXGVEGMKQFWNSR-LLQZFEROSA-N 222528 BRD-K24556098-001-19-1 deoxycorticosterone-acetate 0 96.9 MicroSource 300029 DESOXYCORTICOSTERONE ACETATE 372.23 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| VPGRYOFKCNULNK-ACXQXYJUSA-N 5952 BRD-A75402480-001-04-6 BRD-K24556098-001-17-5 deoxycorticosterone-acetate 0 98.53 Selleck S4243 Deoxycorticosterone acetate 372.23 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| VPGRYOFKCNULNK-ACXQXYJUSA-N 5952 BRD-K24556098-001-18-3 deoxycorticosterone-acetate 0 88.64 Selleck S4243 Deoxycorticosterone acetate 372.23 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| VPGRYOFKCNULNK-ACXQXYJUSA-N 5952 BRD-K54733518-001-01-9 BRD-K24556098-001-20-9 deoxycorticosterone-acetate 0 89.01 Selleck S4243 Deoxycorticosterone 372.23 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| VPGRYOFKCNULNK-ACXQXYJUSA-N 5952 BRD-K24556098-001-16-7 deoxycorticosterone-acetate 0 96.47 Selleck S4243 Deoxycorticosterone acetate 372.23 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14| VPGRYOFKCNULNK-ACXQXYJUSA-N 5952 BRD-K33151569-003-09-7 deoxyepinephrine 0 83.38 Enzo AC835 N-Methyldopamine HCl 167.095 CNCCc1ccc(O)c(O)c1 NGKZFDYBISXGGS-UHFFFAOYSA-N 4382 BRD-K33151569-003-10-5 deoxyepinephrine 0 94.36 CombiBlocks QB-1311 N-Methyldopamine hydrochloride 167.095 CNCCc1ccc(O)c(O)c1 NGKZFDYBISXGGS-UHFFFAOYSA-N 4382 BRD-K00005351-050-01-9 deptropine 0 95.55 Toronto d288360 deptropine maleate 333.209 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:1:3.4:6.7.8|" ZWPODSUQWXAZNC-PMOLBWCYSA-N BRD-K77685957-300-10-9 dequalinium 0 91.47 MedChemEx HY-B0567 Dequalinium (Chloride) 456.325 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 PCSWXVJAIHCTMO-UHFFFAOYSA-P 2993 BRD-K77685957-300-09-1 dequalinium 0 95.31 MicroSource 1503127 DEQUALINIUM CHLORIDE 456.325 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 PCSWXVJAIHCTMO-UHFFFAOYSA-P 2993 BRD-K77685957-300-08-3 dequalinium 0 91.21 Selleck S4066 Dequalinium chloride 456.325 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 PCSWXVJAIHCTMO-UHFFFAOYSA-P 2993 BRD-K68558722-001-04-0 deracoxib 0 99.74 MicroSource 1505222 DERACOXIB 397.071 COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F WAZQAZKAZLXFMK-UHFFFAOYSA-N 3058754 BRD-K68558722-001-05-9 deracoxib 0 96.11 MedChemEx HY-17509 Deracoxib 397.071 COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F WAZQAZKAZLXFMK-UHFFFAOYSA-N 3058754 BRD-K00003310-001-01-9 derazantinib 0 81.15 MedChemEx HY-19981 Derazantinib 468.233 COCCNCCc1cccc(Nc2ncc3C[C@@H](c4ccccc4F)c4ccccc4-c3n2)c1 KPJDVVCDVBFRMU-AREMUKBSSA-N 46834118 BRD-K29462201-001-02-7 deserpidine 0 96.99 Key MD-0232 "methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate" 578.263 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 CVBMAZKKCSYWQR-WCGOZPBSSA-N 8550 BRD-K29462201-001-01-9 deserpidine 0 90.18 AKSci 71845 578.263 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 CVBMAZKKCSYWQR-WCGOZPBSSA-N 8550 BRD-K00003452-001-01-9 desidustat 0 93.55 MedChemEx HY-103227 Desidustat 332.101 OC(=O)CNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O IKRKQQLJYBAPQT-UHFFFAOYSA-N 75593290 BRD-K60762818-003-25-2 desipramine 0 49.2 MicroSource 1500227 DESIPRAMINE HYDROCHLORIDE 266.178 CNCCCN1c2ccccc2CCc2ccccc12 HCYAFALTSJYZDH-UHFFFAOYSA-N 2995 BRD-K60762818-003-26-0 desipramine 0 94.4 Sigma MFCD00058108 "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine hydrochloride" 266.178 CNCCCN1c2ccccc2CCc2ccccc12 HCYAFALTSJYZDH-UHFFFAOYSA-N 2995 BRD-K00003103-001-01-9 desisobutyryl-ciclesonide 0 84.9 MedChemEx HY-111490 Desisobutyryl-ciclesonide 470.267 "[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)CO |c:13,t:9|" OXPLANUPKBHPMS-FYSAVPLMSA-N 24848783 BRD-K99919177-001-01-3 deslanoside 0 98.38 AvaChem 1544 "(3beta,5beta,12beta)-3-({2,6-dideoxy-4-O-[2,6-dideoxy-4-O-(2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)-beta-D-ribo-hexopyranosyl]-beta-D-ribo-hexopyranosyl}oxy)-12,14-dihydroxycar" 942.482 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |t:66| OBATZBGFDSVCJD-LALPQLPRSA-N 28620 BRD-K82357231-001-18-3 desloratadine 0 67.71 MicroSource 1505393 DESLORATIDINE 310.124 Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 JAUOIFJMECXRGI-UHFFFAOYSA-N 124087 BRD-K82357231-001-21-9 desloratadine 0 98.28 Tocris 5958 Desloratadine 310.124 Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 JAUOIFJMECXRGI-UHFFFAOYSA-N 124087 BRD-K82357231-001-19-1 desloratadine 0 95.53 Selleck S4012 Desloratadine 310.124 Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 JAUOIFJMECXRGI-UHFFFAOYSA-N 124087 BRD-K82357231-001-17-5 desloratadine 0 81.2 Selleck S4012 Desloratadine 310.124 Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 JAUOIFJMECXRGI-UHFFFAOYSA-N 124087 BRD-K00003134-001-01-9 deslorelin 0 98.49 MedChemEx HY-12556 Deslorelin 1281.641 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 GJKXGJCSJWBJEZ-XRSSZCMZSA-N 25077495 BRD-K10042277-001-05-0 desmethylclozapine 0 67.09 Tocris 1007 N-Desmethylclozapine 312.114 Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13| JNNOSTQEZICQQP-UHFFFAOYSA-N 135409468 BRD-K00003582-015-01-9 desmopressin-acetate 0 90.81 MedChemEx HY-17370 Desmopressin (Acetate) 1068.427 NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O |r| NFLWUMRGJYTJIN-AIOUAYLGSA-N BRD-K46061689-001-01-9 desogestrel 0 97.27 Enzo AC3084 DESOGESTREL 310.23 CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:10| RPLCPCMSCLEKRS-BPIQYHPVSA-N 40973 BRD-K46061689-001-02-9 desogestrel 0 82.81 MedChemEx HY-12516 Desogestrel 310.23 CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:10| RPLCPCMSCLEKRS-BPIQYHPVSA-N 40973 BRD-K21528677-001-05-9 desonide 0 94.6 MedChemEx HY-B0248 Desonide 416.22 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:14,t:10|" WBGKWQHBNHJJPZ-LECWWXJVSA-N 5311066 BRD-K21528677-001-04-4 desonide 0 89.25 MicroSource 1505726 DESONIDE 416.22 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:14,t:10|" WBGKWQHBNHJJPZ-LECWWXJVSA-N 5311066 BRD-A26858303-001-02-8 BRD-K21528677-001-02-8 desonide 0 97.37 Selleck S1701 Desonide 416.22 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:14,t:10|" WBGKWQHBNHJJPZ-LECWWXJVSA-N 5311066 BRD-K21528677-001-03-6 desonide 0 89.62 Selleck S1701 Desonide 416.22 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:14,t:10|" WBGKWQHBNHJJPZ-LECWWXJVSA-N 5311066 BRD-K30131328-001-01-5 BRD-K30697463-001-19-9 desoximetasone 0 92.11 MedChemEx HY-17570 Desoximetasone 376.205 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO |c:11,t:7|" VWVSBHGCDBMOOT-IIEHVVJPSA-N 5311067 BRD-K26024145-001-01-9 desoxycorticosterone-pivalate 0 98.85 InterBioScreen STOCK1N-55228 "3,20-dioxopregn-4-en-21-yl pivalate" 414.277 CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:17| VVOIQBFMTVCINR-WWMZEODYSA-N 11876263 BRD-K98521173-001-19-4 desoxycortone 0 98.09 Prestwick Prestw-957 Deoxycorticosterone 330.219 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |t:8| ZESRJSPZRDMNHY-YFWFAHHUSA-N 6166 BRD-K13819402-003-10-2 desoxypeganine 0 96.73 Enzo NP073 Desoxypeganine HCl 172.1 C1CN2Cc3ccccc3N=C2C1 |c:11| WUFQLZTXIWKION-UHFFFAOYSA-N 442894 BRD-K13819402-003-11-9 desoxypeganine 0 95.63 Vitas-M STK801663 "1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline" 172.1 C1CN2Cc3ccccc3N=C2C1 |c:11| WUFQLZTXIWKION-UHFFFAOYSA-N 442894 BRD-K01825598-036-02-9 desvenlafaxine 0 78.4 Selleck S4112 Desvenlafaxine Succinate 381.215 CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 |&1:4| KYYIDSXMWOZKMP-HNNXBMFYSA-N 12018336 BRD-K01825598-036-04-9 desvenlafaxine 0 76.88 Selleck S4112 Desvenlafaxine Succinate 381.215 CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 |&1:4| KYYIDSXMWOZKMP-HNNXBMFYSA-N 12018336 BRD-K01825598-036-03-9 desvenlafaxine 0 92.25 MicroSource 1504280 DESVENLAFAXINE SUCCINATE 381.215 CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 |&1:4| KYYIDSXMWOZKMP-HNNXBMFYSA-N 12018336 BRD-K01825598-036-05-9 desvenlafaxine 0 72.38 Tocris 4194 WY 45233 succinate 381.215 CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 |&1:4| KYYIDSXMWOZKMP-HNNXBMFYSA-N 12018336 BRD-K01825598-036-06-9 desvenlafaxine 0 84.28 Tocris 4194 WY 45233 succinate 263.189 CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 |&1:4| KYYIDSXMWOZKMP-HNNXBMFYSA-N 12018336 BRD-K77597856-003-03-9 detomidine 0 94.38 MedChemEx HY-B0163A Detomidine (hydrochloride) 186.116 Cc1cccc(Cc2cnc[nH]2)c1C RHDJRPPFURBGLQ-UHFFFAOYSA-N 56032 BRD-K77597856-003-02-5 detomidine 0 98.34 Selleck S2092 Detomidine HCl 186.116 Cc1cccc(Cc2cnc[nH]2)c1C RHDJRPPFURBGLQ-UHFFFAOYSA-N 56032 BRD-K31238592-001-02-9 devazepide 0 98.14 Tocris 2304 "L-364,718 | MK 329 |" 408.159 CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9| NFHRQQKPEBFUJK-HSZRJFAPSA-N 443375 BRD-K38775274-001-24-7 dexamethasone 0 81.22 Tocris 1126 Dexamethasone 392.2 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" UREBDLICKHMUKA-CXSFZGCWSA-N 5743 BRD-A27572786-001-02-0 BRD-K38775274-001-29-9 dexamethasone 0 83 Tocris 1126 Dexamethasone 392.2 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" UREBDLICKHMUKA-CXSFZGCWSA-N 5743 BRD-K38775274-001-22-1 dexamethasone 0 95.93 Tocris 1126 Dexamethasone 392.2 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" UREBDLICKHMUKA-CXSFZGCWSA-N 5743 BRD-A27572786-001-01-2 BRD-K38775274-001-23-9 dexamethasone 0 92.38 Selleck S1322 Dexamethasone (DHAP) 392.2 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" UREBDLICKHMUKA-CXSFZGCWSA-N 5743 BRD-K45192137-001-01-1 BRD-K47635719-001-21-1 dexamethasone-acetate 0 97.02 MicroSource 1500231 DEXAMETHASONE ACETATE 434.21 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |c:11,t:7|" AKUJBENLRBOFTD-RPRRAYFGSA-N 236702 BRD-A93424738-001-04-8 BRD-K47635719-001-22-9 dexamethasone-acetate 0 96.14 MedChemEx HY-14648A Dexamethasone (acetate) 434.21 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |c:11,t:7|" AKUJBENLRBOFTD-RPRRAYFGSA-N 236702 BRD-K47635719-001-20-3 dexamethasone-acetate 0 92.16 Selleck S3124 Dexamethasone acetate 434.21 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |c:11,t:7|" AKUJBENLRBOFTD-RPRRAYFGSA-N 236702 BRD-K40063336-001-01-8 BRD-K39462424-050-09-8 dexchlorpheniramine 0 95.84 MicroSource 1500183 DEXCHLORPHENIRAMINE MALEATE 274.124 CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 SOYKEARSMXGVTM-HNNXBMFYSA-N 33036 BRD-K39462424-050-10-9 dexchlorpheniramine 0 99.06 MedChemEx HY-B1062 Dexchlorpheniramine (maleate) 274.124 CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 SOYKEARSMXGVTM-HNNXBMFYSA-N 33036 BRD-K30019776-001-01-9 dexfosfoserine 1 0 Sigma MFCD00065935 (2S)-2-amino-3-(phosphonooxy)propanoic acid 185.009 N[C@@H](COP(O)(O)=O)C(O)=O BZQFBWGGLXLEPQ-REOHCLBHSA-N 68841 BRD-K30019776-003-01-5 dexfosfoserine 1 0 MicroSource 1506151 DEXFOSFOSERINE HYDROCHLORIDE 185.009 N[C@@H](COP(O)(O)=O)C(O)=O BZQFBWGGLXLEPQ-REOHCLBHSA-N 68841 BRD-K05900209-001-02-6 dexlansoprazole 0 1.2 MicroSource 1504282 DEXLANSOPRAZOLE 369.076 Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 MJIHNNLFOKEZEW-RUZDIDTESA-N 9578005 BRD-K05900209-001-01-8 dexlansoprazole 0 0 Selleck S4099 Dexlansoprazole 369.076 Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 MJIHNNLFOKEZEW-RUZDIDTESA-N 9578005 BRD-K05900209-001-04-2 dexlansoprazole 0 94.54 Selleck S4099 Dexlansoprazole 369.076 Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 MJIHNNLFOKEZEW-RUZDIDTESA-N 9578005 BRD-K05900209-001-03-4 dexlansoprazole 0 95.4 Selleck S4099 Dexlansoprazole 369.076 Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 MJIHNNLFOKEZEW-RUZDIDTESA-N 9578005 BRD-K07609981-001-01-7 dexloxiglumide 0 96.36 AdvChemBlocks G-6604 460.153 CCCCCN(CCCOC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 QNQZBKQEIFTHFZ-GOSISDBHSA-N 65937 BRD-K18423410-003-03-3 dexmedetomidine 0 93.69 Tocris 2749 Dexmedetomidine hydrochloride 200.131 C[C@H](c1cnc[nH]1)c1cccc(C)c1C CUHVIMMYOGQXCV-NSHDSACASA-N 5311068 BRD-K18423410-003-04-9 dexmedetomidine 0 93.47 Tocris 2749 Dexmedetomidine hydrochloride 200.131 C[C@H](c1cnc[nH]1)c1cccc(C)c1C CUHVIMMYOGQXCV-NSHDSACASA-N 5311068 BRD-K18423410-003-02-5 dexmedetomidine 0 98.01 Selleck S2090 Dexmedetomidine HCl (Precedex) 200.131 C[C@H](c1cnc[nH]1)c1cccc(C)c1C CUHVIMMYOGQXCV-NSHDSACASA-N 5311068 BRD-K18423410-001-02-9 dexmedetomidine 0 97.7 Selleck S3075 Dexmedetomidine 200.131 C[C@H](c1cnc[nH]1)c1cccc(C)c1C CUHVIMMYOGQXCV-NSHDSACASA-N 5311068 BRD-K44309363-003-02-1 dexniguldipine 0 92.38 Tocris 1124 (R)-(-)-Niguldipine hydrochloride 609.284 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|" SVJMLYUFVDMUHP-MGBGTMOVSA-N 6918097 BRD-K71210479-001-05-5 dexpanthenol 0 89.08 MicroSource 1505420 DEXPANTHENOL 205.131 CC(C)(CO)[C@@H](O)C(=O)NCCCO SNPLKNRPJHDVJA-ZETCQYMHSA-N 131204 BRD-K71210479-001-06-9 dexpanthenol 0 100 MedChemEx HY-B1391 D-Panthenol 205.131 CC(C)(CO)[C@@H](O)C(=O)NCCCO SNPLKNRPJHDVJA-ZETCQYMHSA-N 131204 BRD-K07265709-003-05-6 dexrazoxane 0 94.57 Selleck S1222 Dexrazoxane Hydrochloride 268.117 C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 BMKDZUISNHGIBY-ZETCQYMHSA-N 71384 BRD-K07265709-003-03-1 dexrazoxane 0 48.5 Selleck S1222 "Dexrazoxane HCl (ICRF-187, ADR-529)" 268.117 C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 BMKDZUISNHGIBY-ZETCQYMHSA-N 71384 BRD-K07265709-003-04-9 dexrazoxane 0 0 Tocris 3857 Dexrazoxane hydrochloride 268.117 C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 BMKDZUISNHGIBY-ZETCQYMHSA-N 71384 BRD-K67117832-001-01-9 dextran 0 100 ANpharma AN-19460 "(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexana;l" 504.169 OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O FZWBNHMXJMCXLU-BLAUPYHCSA-N 5460037 BRD-K33211335-337-13-9 dextromethorphan 0 93.97 MedChemEx HY-B1333 Dextromethorphan (hydrobromide hydrate) 271.194 COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 MKXZASYAUGDDCJ-NJAFHUGGSA-N 5360696 BRD-K33211335-004-01-7 dextromethorphan 0 99.02 MicroSource 1500233 DEXTROMETHORPHAN HYDROBROMIDE 271.194 COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 MKXZASYAUGDDCJ-NJAFHUGGSA-N 5360696 BRD-K00003272-001-01-9 dextrorotation-nimorazole-phosphate-ester 0 93.3 MedChemEx HY-18716 Dextrorotation nimorazole phosphate ester 350.099 Cc1ncc(n1C[C@@H](CN1CCOCC1)OP(O)(O)=O)[N+]([O-])=O CCDHHPOGWLYHAX-SNVBAGLBSA-N 25191609 BRD-K51431759-001-03-9 dextrose 0 100 MedChemEx HY-B0389 Dextrose 180.063 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O GZCGUPFRVQAUEE-SLPGGIOYSA-N 107526 BRD-K51431759-001-02-9 dextrose 0 96.3 Selleck S2123 Dextrose 180.063 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O GZCGUPFRVQAUEE-SLPGGIOYSA-N 107526 BRD-K82002057-001-03-9 DFB 0 90.4 Tocris 1625 DFB 244.081 Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1 YYMCVDNIIFNDJK-BEQMOXJMSA-N 6604893 BRD-K82002057-001-01-2 DFB 0 98.04 Tocris 1625 DFB 244.081 Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1 YYMCVDNIIFNDJK-BEQMOXJMSA-N 6604893 BRD-K75748943-300-01-3 DG-172 0 79.69 Tocris 5566 DG 172 dihydrochloride 381.084 CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1 ZJMDTBBCNMGFMS-SAPNQHFASA-N 57342889 BRD-K75748943-300-02-9 DG-172 0 87.99 Tocris 5566 DG 172 dihydrochloride 381.084 CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1 ZJMDTBBCNMGFMS-SAPNQHFASA-N 57342889 BRD-K00003486-003-01-9 DG051 0 95.07 MedChemEx HY-10825 DG051 389.139 OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 PVCTYSQBVIGZRU-KRWDZBQOSA-N 72199860 BRD-K06014311-001-03-8 DH-97 0 96 Tocris 1218 DH 97 334.205 CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 HDOIPCLEKCEANF-UHFFFAOYSA-N 3467177 BRD-K06014311-001-04-9 DH-97 0 96.23 Tocris 1218 DH 97 334.205 CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 HDOIPCLEKCEANF-UHFFFAOYSA-N 3467177 BRD-K06014311-001-02-0 DH-97 0 73.31 Tocris 1218 DH 97 334.205 CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 HDOIPCLEKCEANF-UHFFFAOYSA-N 3467177 BRD-K41262162-303-11-9 DHBP 0 84.11 Tocris 839 DHBP dibromide 354.303 CCCCCCC[n+]1ccc(cc1)-c1cc[n+](CCCCCCC)cc1 XJGZGUSMZSXHJI-UHFFFAOYSA-N 80263 BRD-K41262162-303-02-2 DHBP 0 0 Tocris 839 DHBP dibromide 354.303 CCCCCCC[n+]1ccc(cc1)-c1cc[n+](CCCCCCC)cc1 XJGZGUSMZSXHJI-UHFFFAOYSA-N 80263 BRD-K69122748-001-10-1 diacerein 0 95.35 MicroSource 1502010 DIACERIN 368.053 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O TYNLGDBUJLVSMA-UHFFFAOYSA-N 26248 BRD-K69122748-001-12-9 diacerein 0 89.62 MedChemEx HY-N0283 Diacerein 368.053 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O TYNLGDBUJLVSMA-UHFFFAOYSA-N 26248 BRD-K69122748-001-09-3 diacerein 0 87.14 Selleck S4267 Diacerein 368.053 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O TYNLGDBUJLVSMA-UHFFFAOYSA-N 26248 BRD-K69122748-001-11-9 diacerein 0 93.69 Selleck S4267 Diacerein 368.053 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O TYNLGDBUJLVSMA-UHFFFAOYSA-N 26248 BRD-K93611241-001-02-2 diacetamate 0 98.65 MicroSource 1504515 DIACETAMATE 193.074 CC(=O)Nc1ccc(OC(C)=O)cc1 UJAOSPFULOFZRR-UHFFFAOYSA-N 17499 BRD-K93611241-001-03-9 diacetamate 0 84.56 Sigma MFCD00059205 4-ACETAMIDOPHENYL ACETATE 193.074 CC(=O)Nc1ccc(OC(C)=O)cc1 UJAOSPFULOFZRR-UHFFFAOYSA-N 17499 BRD-A52394261-419-01-7 diadenosine-tetraphosphate 0 100 Sigma D1262-10MG "P1,P4-Di(adenosine-5') tetraphosphate ammonium salt" 836.048 "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:10,12,32,34,35,37,49,51,&1:15,&2:19,&3:23,&4:27|" YOAHKNVSNCMZGQ-XPWFQUROSA-N 21706 BRD-K68502831-001-01-2 dianhydrogalactitol 1 0 MedChemEx HY-16513 VAL-083 146.058 O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1 AAFJXZWCNVJTMK-GUCUJZIJSA-N 15942827 BRD-K68502831-001-02-9 dianhydrogalactitol 1 78.8 MedChemEx HY-16513 VAL-083 146.058 O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1 AAFJXZWCNVJTMK-GUCUJZIJSA-N 15942827 BRD-A27143604-001-02-0 diarylpropionitrile 0 94.36 Tocris 1494 DPN 239.095 "Oc1ccc(C[C@@H](C#N)c2ccc(O)cc2)cc1 |&1:6,r|" GHZHWDWADLAOIQ-ZDUSSCGKSA-N 6604873 BRD-A27143604-001-03-9 diarylpropionitrile 0 90.17 Tocris 1494 DPN 239.095 "Oc1ccc(C[C@@H](C#N)c2ccc(O)cc2)cc1 |&1:6,r|" GHZHWDWADLAOIQ-ZDUSSCGKSA-N 6604873 BRD-K48247567-001-08-9 diatrizoic-acid 0 98.63 MedChemEx HY-B0926 Diatrizoic acid 613.77 CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I YVPYQUNUQOZFHG-UHFFFAOYSA-N 2140 BRD-K48247567-001-01-9 diatrizoic-acid 0 97.75 MicroSource 1505777 DIATRIZOIC ACID 613.77 CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I YVPYQUNUQOZFHG-UHFFFAOYSA-N 2140 BRD-K97464279-001-04-9 diaveridine 0 94.52 MedChemEx HY-B1902 Diaveridine 260.127 COc1ccc(Cc2cnc(N)nc2N)cc1OC LDBTVAXGKYIFHO-UHFFFAOYSA-N 21453 BRD-K97464279-001-03-5 diaveridine 0 99.41 MicroSource 1502300 DIAVERIDINE 260.127 COc1ccc(Cc2cnc(N)nc2N)cc1OC LDBTVAXGKYIFHO-UHFFFAOYSA-N 21453 BRD-K73109821-001-22-7 diazoxide 0 89.52 Tocris 964 Diazoxide 229.992 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| GDLBFKVLRPITMI-UHFFFAOYSA-N 3019 BRD-K73109821-001-20-1 diazoxide 0 99.38 MicroSource 2300206 DIAZOXIDE 229.992 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| GDLBFKVLRPITMI-UHFFFAOYSA-N 3019 BRD-K73109821-001-23-9 diazoxide 0 97.02 Tocris 964 Diazoxide 229.992 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| GDLBFKVLRPITMI-UHFFFAOYSA-N 3019 BRD-K73109821-001-19-3 diazoxide 0 99.21 Tocris 964 Diazoxide 229.992 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| GDLBFKVLRPITMI-UHFFFAOYSA-N 3019 BRD-K48427910-001-01-1 dibekacin 0 0 MicroSource 1503114 DIBEKACIN 451.264 NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 JJCQSGDBDPYCEO-XVZSLQNASA-N 470999 BRD-K79145749-003-02-2 dibenzepine 0 96.96 Selleck S4319 Dibenzepine HCl 295.168 CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O QPGGEKPRGVJKQB-UHFFFAOYSA-N 9419 BRD-K79145749-003-03-0 dibenzepine 0 99.06 Selleck S4319 Dibenzepine HCl 295.168 CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O QPGGEKPRGVJKQB-UHFFFAOYSA-N 9419 BRD-K46863940-001-05-4 dibenzothiophene 0 0 MicroSource 1500235 DIBENZOTHIOPHENE 184.035 c1ccc2c(c1)sc1ccccc21 IYYZUPMFVPLQIF-UHFFFAOYSA-N 3023 BRD-K46863940-001-04-7 dibenzothiophene 0 0 Selleck S4205 Dibenzothiophene 184.035 c1ccc2c(c1)sc1ccccc21 IYYZUPMFVPLQIF-UHFFFAOYSA-N 3023 BRD-K46863940-001-06-2 dibenzothiophene 0 99.86 Selleck S4205 Dibenzothiophene 184.035 c1ccc2c(c1)sc1ccccc21 IYYZUPMFVPLQIF-UHFFFAOYSA-N 3023 BRD-K73477617-001-09-9 dibutyl-phthalate 0 98.55 MedChemEx HY-Y0304 Dibutyl phthalate 278.152 CCCCOC(=O)c1ccccc1C(=O)OCCCC DOIRQSBPFJWKBE-UHFFFAOYSA-N 3026 BRD-K73477617-001-08-5 dibutyl-phthalate 0 99.18 MicroSource 330086 DIBUTYL PHTHALATE 278.152 CCCCOC(=O)c1ccccc1C(=O)OCCCC DOIRQSBPFJWKBE-UHFFFAOYSA-N 3026 BRD-K54187111-001-10-9 dichlorisone-acetate 0 90.68 MedChemEx HY-B1383 Dichlorisone acetate 454.131 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C |c:19,t:15|" YNNURTVKPVJVEI-GSLJADNHSA-N 5388959 BRD-K54187111-001-09-2 dichlorisone-acetate 0 88.29 MicroSource 1505779 DICHLORISONE ACETATE 454.131 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C |c:19,t:15|" YNNURTVKPVJVEI-GSLJADNHSA-N 5388959 BRD-A40195998-001-02-7 BRD-K54187111-001-07-6 dichlorisone-acetate 0 82.88 Selleck S4395 Dichlorisone Acetate 454.131 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C |c:19,t:15|" YNNURTVKPVJVEI-GSLJADNHSA-N 5388959 BRD-K54187111-001-08-4 dichlorisone-acetate 0 91.61 Selleck S4395 dichlorisone acetate 454.131 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C |c:19,t:15|" YNNURTVKPVJVEI-GSLJADNHSA-N 5388959 BRD-M97302542-001-04-4 dichloroacetate 1 96.5 Sigma MFCD00070489 sodium dichloroacetate 150.933 [Na].OC(=O)C(Cl)Cl FLWQSOHPGISTPX-UHFFFAOYSA-N BRD-M97302542-001-03-6 dichloroacetate 1 0 Tocris 2755 DCA 150.933 [Na].OC(=O)C(Cl)Cl FLWQSOHPGISTPX-UHFFFAOYSA-N BRD-K62326629-001-20-8 dichlorophen 0 92.97 Sigma MFCD00002322 "2,2'-methylenebis(4-chlorophenol)" 268.006 Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O MDNWOSOZYLHTCG-UHFFFAOYSA-N 3037 BRD-K62326629-001-19-0 dichlorophen 0 75.11 MicroSource 1500626 DICHLOROPHEN 268.006 Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O MDNWOSOZYLHTCG-UHFFFAOYSA-N 3037 BRD-K23779958-001-05-8 dichlorvos 1 0 MicroSource 330018 DICHLORVOS 219.946 COP(=O)(OC)OC=C(Cl)Cl OEBRKCOSUFCWJD-UHFFFAOYSA-N 3039 BRD-K23779958-001-08-9 dichlorvos 1 0 AMS A000317286 "2,2-dichlorovinyl dimethyl phosphate" 219.946 COP(=O)(OC)OC=C(Cl)Cl OEBRKCOSUFCWJD-UHFFFAOYSA-N 3039 BRD-A06426627-001-04-3 diclazuril 0 94.34 MicroSource 1502348 DICLAZURIL 405.979 "Clc1ccc(cc1)[C@@H](C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O |&1:7,r|" ZSZFUDFOPOMEET-GFCCVEGCSA-N 25273624 BRD-A06426627-001-06-9 diclazuril 0 96.37 MedChemEx HY-B0357 Diclazuril 405.979 "Clc1ccc(cc1)[C@@H](C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O |&1:7,r|" ZSZFUDFOPOMEET-GFCCVEGCSA-N 25273624 BRD-A06426627-001-03-5 diclazuril 0 98.14 Selleck S2028 Diclazuril 405.979 "Clc1ccc(cc1)[C@@H](C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O |&1:7,r|" ZSZFUDFOPOMEET-GFCCVEGCSA-N 25273624 BRD-K08252256-236-33-8 diclofenac 0 99.61 MicroSource 1500237 DICLOFENAC SODIUM 295.017 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl DCOPUUMXTXDBNB-UHFFFAOYSA-N 3033 BRD-K08252256-237-02-1 diclofenac 0 97.9 Selleck S3062 Diclofenac Potassium 295.017 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl DCOPUUMXTXDBNB-UHFFFAOYSA-N 3033 BRD-K08252256-224-02-9 diclofenac 0 97.96 Selleck S3063 Diclofenac Diethylamine 295.017 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl DCOPUUMXTXDBNB-UHFFFAOYSA-N 3033 BRD-K08252256-236-32-0 diclofenac 0 98.33 Selleck S1903 Diclofenac Sodium 295.017 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl DCOPUUMXTXDBNB-UHFFFAOYSA-N 3033 BRD-K71499074-001-13-9 diclofenamide 0 87.25 MedChemEx HY-B0397 Dichlorphenamide 303.915 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O GJQPMPFPNINLKP-UHFFFAOYSA-N 3038 BRD-K71499074-001-12-9 diclofenamide 0 98.21 Selleck S2177 Dichlorphenamide 303.915 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O GJQPMPFPNINLKP-UHFFFAOYSA-N 3038 BRD-A51078674-003-01-0 diclofensine 0 97.06 MedChemEx HY-18610 Diclofensine (hydrochloride) 321.069 COc1ccc2[C@@H](CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 |&1:6| ZJDCGVDEEHWEIG-HNNXBMFYSA-N 23872188 BRD-A51078674-003-02-9 diclofensine 0 97.83 MedChemEx HY-18610 Diclofensine (hydrochloride) 321.069 COc1ccc2[C@@H](CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 |&1:6| ZJDCGVDEEHWEIG-HNNXBMFYSA-N 23872188 BRD-A41657926-001-03-0 dicloralurea 1 0 MicroSource 1503738 DICLORALUREA 351.851 "O[C@@H](NC(=O)N[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |&1:1,&2:6,r|" PPJXIHLNYDVTDI-XIXRPRMCSA-N 7059662 BRD-A41657926-001-04-9 dicloralurea 1 100 Labotest LT00044260 "N'-[(Z)-2,2,2-trichloro-1-hydroxyethyl]-N-(2,2,2-trichloro-1-hydroxyethyl)carbamimidic acid" 351.851 "O[C@@H](NC(=O)N[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |&1:1,&2:6,r|" PPJXIHLNYDVTDI-XIXRPRMCSA-N 7059662 BRD-K05673000-323-14-9 dicloxacillin 0 83.52 MedChemEx HY-B0977 Dicloxacillin (Sodium hydrate) 469.027 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl YFAGHNZHGGCZAX-JKIFEVAISA-N 18381 BRD-K05673000-236-12-1 dicloxacillin 0 87.83 MicroSource 1500238 DICLOXACILLIN SODIUM 469.027 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl YFAGHNZHGGCZAX-JKIFEVAISA-N 18381 BRD-K05673000-323-13-5 dicloxacillin 0 60.29 Selleck S4111 Dicloxacillin Sodium 469.027 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl YFAGHNZHGGCZAX-JKIFEVAISA-N 18381 BRD-K59843513-323-01-4 BRD-K05673000-323-12-7 dicloxacillin 0 51.56 Selleck S4111 Dicloxacillin Sodium 469.027 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl YFAGHNZHGGCZAX-JKIFEVAISA-N 18381 BRD-K82236179-001-08-9 dicoumarol 0 96.81 MedChemEx HY-N0645 Dicoumarol 336.063 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 DOBMPNYZJYQDGZ-UHFFFAOYSA-N 54676038 BRD-K82236179-213-01-0 dicoumarol 0 99.51 MicroSource 1500239 DICUMAROL 336.063 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 DOBMPNYZJYQDGZ-UHFFFAOYSA-N 54676038 BRD-K57091285-001-07-7 dicyclohexylamine 0 96.38 Vitas-M STK379549 181.183 C1CCC(CC1)NC1CCCCC1 XBPCUCUWBYBCDP-UHFFFAOYSA-N 7582 BRD-K57091285-001-08-9 dicyclohexylamine 0 0 Labotest LTBB000396 N-cyclohexylcyclohexanamine 181.183 C1CCC(CC1)NC1CCCCC1 XBPCUCUWBYBCDP-UHFFFAOYSA-N 7582 BRD-K68507560-003-25-3 dicycloverine 0 100 MicroSource 1500240 DICYCLOMINE HYDROCHLORIDE 309.267 CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 CURUTKGFNZGFSE-UHFFFAOYSA-N 3042 BRD-K68507560-003-24-6 dicycloverine 0 100 Selleck S4373 Dicyclomine HCl 309.267 CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 CURUTKGFNZGFSE-UHFFFAOYSA-N 3042 BRD-K68507560-003-26-1 dicycloverine 0 100 Selleck S4373 DICYCLOMINE HYDROCHLORIDE 309.267 CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 CURUTKGFNZGFSE-UHFFFAOYSA-N 3042 BRD-K99063460-001-16-9 didanosine 0 94.81 MedChemEx HY-B0249 Didanosine 236.091 OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O BXZVVICBKDXVGW-NKWVEPMBSA-N 135398739 BRD-K99063460-001-13-1 didanosine 0 99.4 Selleck S1702 Didanosine (Videx) 236.091 OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O BXZVVICBKDXVGW-NKWVEPMBSA-N 135398739 BRD-K99063460-001-12-3 didanosine 0 95.19 Selleck S1702 Didanosine 236.091 OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O BXZVVICBKDXVGW-NKWVEPMBSA-N 135398739 BRD-K84794093-001-07-5 dideoxyadenosine 0 97.9 Berry PR 3495 235.107 Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CO)O1 WVXRAFOPTSTNLL-NKWVEPMBSA-N 20039 BRD-K94146583-001-01-6 didox 0 95.72 MedChemEx HY-19387 Didox 169.038 ONC(=O)c1ccc(O)c(O)c1 QJMCKEPOKRERLN-UHFFFAOYSA-N 3045 BRD-K95309561-001-27-9 dienestrol 0 93.72 MedChemEx HY-B1403 Dienestrol 266.131 C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1 NFDFQCUYFHCNBW-SCGPFSFSSA-N 667476 BRD-K95309561-001-24-7 dienestrol 0 90.26 MicroSource 1500241 DIENESTROL 266.131 C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1 NFDFQCUYFHCNBW-SCGPFSFSSA-N 667476 BRD-K50853363-001-03-9 dienogest 0 95.22 MedChemEx HY-B0084 Dienogest 311.189 "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N |c:4,10|" AZFLJNIPTRTECV-FUMNGEBKSA-N 68861 BRD-K50853363-001-02-3 dienogest 0 92.69 Selleck S1251 Dienogest 311.189 "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N |c:4,10|" AZFLJNIPTRTECV-FUMNGEBKSA-N 68861 BRD-K64504314-001-01-8 BRD-K45542189-048-23-9 diethylcarbamazine 0 96.21 MedChemEx HY-12642 Diethylcarbamazine (citrate) 199.168 CCN(CC)C(=O)N1CCN(C)CC1 RCKMWOKWVGPNJF-UHFFFAOYSA-N 3052 BRD-K45542189-048-22-1 diethylcarbamazine 0 99.23 MicroSource 1500242 DIETHYLCARBAMAZINE CITRATE 199.168 CCN(CC)C(=O)N1CCN(C)CC1 RCKMWOKWVGPNJF-UHFFFAOYSA-N 3052 BRD-K45330754-001-22-5 diethylstilbestrol 0 78.29 MicroSource 1500244 DIETHYLSTILBESTROL 268.146 CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 RGLYKWWBQGJZGM-ISLYRVAYSA-N 448537 BRD-K45330754-001-21-7 diethylstilbestrol 0 93.73 Selleck S1859 Diethylstilbestrol 268.146 CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 RGLYKWWBQGJZGM-ISLYRVAYSA-N 448537 BRD-K94080537-001-11-9 diethyltoluamide 0 97.32 MedChemEx HY-B0978 Diethyltoluamide 191.131 CCN(CC)C(=O)c1cccc(C)c1 MMOXZBCLCQITDF-UHFFFAOYSA-N 4284 BRD-K94080537-001-09-7 diethyltoluamide 0 98.89 MicroSource 1601020 DIETHYLTOLUAMIDE 191.131 CCN(CC)C(=O)c1cccc(C)c1 MMOXZBCLCQITDF-UHFFFAOYSA-N 4284 BRD-K96206066-001-07-9 difenpiramide 0 85.55 Enamine Z60744762 "2-[1,1'-biphenyl]-4-yl-N-(2-pyridinyl)acetamide" 288.126 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1ccccn1 PWHROYKAGRUWDQ-UHFFFAOYSA-N 100472 BRD-A66869276-001-02-9 diflorasone-diacetate 0 97.55 MicroSource 1505880 DIFLORASONE DIACETATE 494.212 "C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O |a:1,6,14,16,18,21,23,&1:3,&2:4,c:12,t:8|" BOBLHFUVNSFZPJ-OAEHMYPASA-N 51895260 BRD-K73923631-003-02-9 difloxacin 0 97.01 MicroSource 1502359 DIFLOXACIN HYDROCHLORIDE 399.139 CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1 NOCJXYPHIIZEHN-UHFFFAOYSA-N 56206 BRD-K73923631-003-01-1 difloxacin 0 95.11 Selleck S4384 Difloxacin HCl 399.139 CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1 NOCJXYPHIIZEHN-UHFFFAOYSA-N 56206 BRD-K73923631-003-03-7 difloxacin 0 96.14 Selleck S4384 2-(6-chloro-9H-carbazol-2-yl)propanoic acid 399.139 CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1 NOCJXYPHIIZEHN-UHFFFAOYSA-N 56206 BRD-K22031190-001-23-6 diflunisal 0 98.97 MicroSource 1500245 DIFLUNISAL 250.044 OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F HUPFGZXOMWLGNK-UHFFFAOYSA-N 3059 BRD-K72992801-001-16-9 difluprednate 0 91.09 MedChemEx HY-17569 Difluprednate 508.227 "CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(C)=O |c:18,t:14|" WYQPLTPSGFELIB-JTQPXKBDSA-N 443936 BRD-K80076813-001-08-8 diftalone 0 98.16 Vitas-M STL175186 "phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione" 264.09 O=C1N2Cc3ccccc3C(=O)N2Cc2ccccc12 CXSJGNHRBWJXEA-UHFFFAOYSA-N 30717 BRD-K18518344-001-16-9 digitoxigenin 0 93.04 Sigma MFCD00003687 Digitoxigenin 374.246 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25| XZTUSOXSLKTKJQ-CESUGQOBSA-N 4369270 BRD-K18518344-001-15-9 digitoxigenin 0 93.94 Prestwick Prestw-436 Digitoxigenin 374.246 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25| XZTUSOXSLKTKJQ-CESUGQOBSA-N 4369270 BRD-K63668566-001-03-9 digitoxin 0 84.91 MedChemEx HY-B1357 Digitoxin 764.435 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45| WDJUZGPOPHTGOT-XUDUSOBPSA-N 441207 BRD-K18619710-001-15-9 digoxigenin 0 95.53 MedChemEx HY-B1025 Digoxigenin 390.241 C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 |t:26| SHIBSTMRCDJXLN-KCZCNTNESA-N 15478 BRD-K18619710-001-14-4 digoxigenin 0 97.81 Selleck S4396 Digoxigenin 390.241 C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 |t:26| SHIBSTMRCDJXLN-KCZCNTNESA-N 15478 BRD-K00004302-001-01-9 digoxin 0 86.19 Tocris 4583 Digoxin 780.43 [H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |t:60| LTMHDMANZUZIPE-SYUUTQQWSA-N 12940973 BRD-K20152659-001-10-3 dihomo-gamma-linolenic-acid 0 0 Sigma MFCD00065721 "(8Z,11Z,14Z)-8,11,14-icosatrienoic acid" 306.256 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O HOBAELRKJCKHQD-QNEBEIHSSA-N 5280581 BRD-K20152659-001-07-9 dihomo-gamma-linolenic-acid 0 24.38 Sigma MFCD00065721 "(8Z,11Z,14Z)-8,11,14-icosatrienoic acid" 306.256 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O HOBAELRKJCKHQD-QNEBEIHSSA-N 5280581 BRD-K20152659-001-04-6 dihomo-gamma-linolenic-acid 0 81.2 Enzo FA009 "8(Z),11(Z),14(Z)-Eicosatrienoic acid" 306.256 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O HOBAELRKJCKHQD-QNEBEIHSSA-N 5280581 BRD-K31471398-003-06-9 dihydrexidine 0 100 Tocris 884 Dihydrexidine hydrochloride 267.126 Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O BGOQGUHWXBGXJW-RHSMWYFYSA-N 6603820 BRD-K31471398-003-01-5 dihydrexidine 0 67.11 Tocris 884 Dihydrexidine hydrochloride 267.126 Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O BGOQGUHWXBGXJW-RHSMWYFYSA-N 6603820 BRD-K62213621-001-03-9 dihydroartemisinin 0 82.5 MedChemEx HY-N0176 Dihydroartemisinin 284.162 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BJDCWCLMFKKGEE-ISOSDAIHSA-N 3000518 BRD-K62213621-001-02-4 dihydroartemisinin 0 91.37 MicroSource 1504143 ARTENIMOL 284.162 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BJDCWCLMFKKGEE-ISOSDAIHSA-N 3000518 BRD-A82452087-001-02-3 BRD-K62213621-001-01-6 dihydroartemisinin 0 94.91 Selleck S2290 Dihydroartemisinin (DHA) 284.162 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 BJDCWCLMFKKGEE-ISOSDAIHSA-N 3000518 BRD-K45089490-001-02-8|BRD-K11421397-001-01-9 BRD-K97440753-066-19-9 dihydroergocristine 0 96.31 Tocris 474 Dihydroergocristine mesylate 611.311 CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O DEQITUUQPICUMR-HJPBWRTMSA-N 107715 BRD-K97440753-066-20-9 dihydroergocristine 0 88.58 Tocris 474 Dihydroergocristine mesylate 611.311 CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O DEQITUUQPICUMR-HJPBWRTMSA-N 107715 BRD-K97440753-066-18-1 dihydroergocristine 0 90.32 Tocris 474 Dihydroergocristine mesylate 611.311 CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O DEQITUUQPICUMR-HJPBWRTMSA-N 107715 BRD-K72166146-066-06-2 dihydroergotamine 0 97.15 Tocris 475 Dihydroergotamine mesylate 583.279 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O LUZRJRNZXALNLM-JGRZULCMSA-N 10531 BRD-K72166146-066-05-4 dihydroergotamine 0 94.59 MicroSource 1500248 DIHYDROERGOTAMINE MESYLATE 583.279 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O LUZRJRNZXALNLM-JGRZULCMSA-N 10531 BRD-K72166146-066-07-9 dihydroergotamine 0 96.85 Tocris 475 Dihydroergotamine mesylate 583.279 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O LUZRJRNZXALNLM-JGRZULCMSA-N 10531 BRD-K72166146-066-04-7 dihydroergotamine 0 85.55 Tocris 475 Dihydroergotamine mesylate 583.279 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O LUZRJRNZXALNLM-JGRZULCMSA-N 10531 BRD-K01614093-001-05-9 dihydromyricetin 0 80.78 MedChemEx HY-N0112 Dihydromyricetin 320.053 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 KJXSIXMJHKAJOD-LSDHHAIUSA-N 161557 BRD-K01614093-001-04-2 dihydromyricetin 0 0 MedChemEx HY-N0112 Dihydromyricetin 320.053 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 KJXSIXMJHKAJOD-LSDHHAIUSA-N 161557 BRD-K01614093-001-02-6 dihydromyricetin 0 75.51 Selleck S2399 Dihydromyricetin 320.053 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 KJXSIXMJHKAJOD-LSDHHAIUSA-N 161557 BRD-K01614093-001-03-4 dihydromyricetin 0 79.27 Selleck S2399 Dihydromyricetin (Ampeloptin) 320.053 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 KJXSIXMJHKAJOD-LSDHHAIUSA-N 161557 BRD-M15413738-326-05-0 dihydrostreptomycin 0 54.8 Selleck S4523 DIHYDROSTREPTOMYCIN [5mM] 583.281 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@H](O)[C@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@H](O)[C@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO DLNWBHHJUACHNB-SNGKZNBCSA-N 73707353 BRD-A34455052-001-01-8 dihydrotachysterol 0 0 Sigma MFCD00867069 "(5E,7E,22E)-9,10-secoergosta-5,7,22-trien-3-ol" 398.355 "CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2\C(CCC[C@@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C |&1:3,&2:7,&3:9,&4:12,&5:17,&6:23,&7:27,r|" ILYCWAKSDCYMBB-CEQNRCNESA-N BRD-K18637542-001-01-7 dihydroxyacetone 1 0 Sigma MFCD00004670 "1,3-dihydroxyacetone" 90.032 OCC(=O)CO RXKJFZQQPQGTFL-UHFFFAOYSA-N 670 BRD-A20589515-001-02-9 dihydroxyphenylglycine 0 0 Tocris 342 "(RS)-3,5-DHPG" 183.053 "N[C@@H](C(O)=O)c1cc(O)cc(O)c1 |&1:1,r|" HOOWCUZPEFNHDT-SSDOTTSWSA-N 10197959 BRD-A20589515-001-03-9 dihydroxyphenylglycine 0 100 Tocris 342 "(RS)-3,5-DHPG" 183.053 "N[C@@H](C(O)=O)c1cc(O)cc(O)c1 |&1:1,r|" HOOWCUZPEFNHDT-SSDOTTSWSA-N 10197959 BRD-K36802417-001-01-7 diiodothyropropionic-acid 0 3.17 Sigma MFCD00045945 "3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid" 509.882 OC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 WONYMNWUJVKVII-UHFFFAOYSA-N 160565 BRD-K48722258-300-11-0 dilazep 0 90.89 MicroSource 1502263 DILAZEP DIHYDROCHLORIDE 604.3 COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 QVZCXCJXTMIDME-UHFFFAOYSA-N 3074 BRD-K48722258-300-10-2 dilazep 0 92.84 Tocris 481 Dilazep 604.3 COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 QVZCXCJXTMIDME-UHFFFAOYSA-N 3074 BRD-K00003459-001-01-9 dilmapimod 0 95.74 MedChemEx HY-10404 Dilmapimod 456.141 Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2n(-c3c(F)cccc3F)c(=O)ccc12 ORVNHOYNEHYKJG-UHFFFAOYSA-N 10297982 BRD-K10974103-001-21-1 diloxanide 0 98.59 MicroSource 1505532 DILOXANIDE FUROATE 327.007 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 BDYYDXJSHYEDGB-UHFFFAOYSA-N 19529 BRD-K24023109-003-28-6 diltiazem 0 99.25 Tocris 685 Diltiazem hydrochloride 414.161 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O HSUGRBWQSSZJOP-RTWAWAEBSA-N 39186 BRD-K24023109-003-30-9 diltiazem 0 97.12 Tocris 685 Diltiazem hydrochloride 414.161 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O HSUGRBWQSSZJOP-RTWAWAEBSA-N 39186 BRD-K24023109-003-25-2 diltiazem 0 97.11 Selleck S1865 Diltiazem HCl 414.161 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O HSUGRBWQSSZJOP-RTWAWAEBSA-N 39186 BRD-K24023109-003-26-0 diltiazem 0 95.79 Tocris 685 Diltiazem hydrochloride 414.161 COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O HSUGRBWQSSZJOP-RTWAWAEBSA-N 39186 BRD-K00005337-001-01-9 DIM-C-pPhCO2Me 0 95.06 MedChemEx HY-112056 DIM-C-pPhCO2Me 380.152 COC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 BBAOKSZCULLDIW-UHFFFAOYSA-N 15637614 BRD-K23541596-300-07-2 dimaprit 0 100 Selleck S4320 Dimaprit 2HCl 161.099 CN(C)CCCSC(N)=N OLHQOJYVQUNWPL-UHFFFAOYSA-N 3077 BRD-K23541596-300-09-9 dimaprit 0 100 Tocris 506 Dimaprit dihydrochloride 161.099 CN(C)CCCSC(N)=N OLHQOJYVQUNWPL-UHFFFAOYSA-N 3077 BRD-K23541596-300-08-0 dimaprit 0 100 Tocris 506 Dimaprit dihydrochloride 161.099 CN(C)CCCSC(N)=N OLHQOJYVQUNWPL-UHFFFAOYSA-N 3077 BRD-K29812331-011-01-7 dimemorfan 0 98.52 Key KS-1259 "phosphoric acid compound with (9alpha,13alpha,14alpha)-3,17-dimethylmorphinan (1:1)" 255.199 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C)cc31 KBEZZLAAKIIPFK-NJAFHUGGSA-N 3037918 BRD-M98649031-001-08-6 dimenhydrinate 0 57.26 MicroSource 1500251 DIMENHYDRINATE 469.188 Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1 NFLLKCVHYJRNRH-UHFFFAOYSA-N 10660 BRD-M98649031-001-10-2 dimenhydrinate 0 59.15 MedChemEx HY-B1215 Dimenhydrinate 469.188 Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1 NFLLKCVHYJRNRH-UHFFFAOYSA-N 10660 BRD-M98649031-001-09-4 dimenhydrinate 0 0 MedChemEx HY-B1215 Dimenhydrinate 469.188 Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1 NFLLKCVHYJRNRH-UHFFFAOYSA-N 10660 BRD-A56152450-001-03-8 dimercaprol 1 0 Sigma MFCD00004864 "2,3-disulfanyl-1-propanol" 124.002 "OC[C@@H](S)CS |&1:2,r|" WQABCVAJNWAXTE-GSVOUGTGSA-N 6971262 BRD-A56152450-001-02-0 dimercaprol 1 0 MicroSource 1500252 DIMERCAPROL 124.002 "OC[C@@H](S)CS |&1:2,r|" WQABCVAJNWAXTE-GSVOUGTGSA-N 6971262 BRD-K88701661-001-03-7 dimercaptosuccinic-acid 1 0 AlfaAesar A17909 "(2R,3S)-2,3-disulfanylbutanedioic acid" 181.971 OC(=O)[C@@H](S)[C@@H](S)C(O)=O ACTRVOBWPAIOHC-XIXRPRMCSA-N 2724354 BRD-K88701661-001-02-9 dimercaptosuccinic-acid 1 0 AlfaAesar A17909 181.971 OC(=O)[C@@H](S)[C@@H](S)C(O)=O ACTRVOBWPAIOHC-XIXRPRMCSA-N 2724354 BRD-K30126819-304-04-9 dimesna 0 100 MedChemEx HY-B1022 Dimesna 281.936 OS(=O)(=O)CCSSCCS(O)(=O)=O BYUKOOOZTSTOOH-UHFFFAOYSA-N 65626 BRD-K30126819-304-03-5 dimesna 0 93.12 MicroSource 1502283 DIMESNA 281.936 OS(=O)(=O)CCSSCCS(O)(=O)=O BYUKOOOZTSTOOH-UHFFFAOYSA-N 65626 BRD-K30126819-304-02-7 dimesna 0 100 Selleck S1201 Dimesna 281.936 OS(=O)(=O)CCSSCCS(O)(=O)=O BYUKOOOZTSTOOH-UHFFFAOYSA-N 65626 BRD-K43687498-001-09-8 dimethadione 0 0 MicroSource 1500253 DIMETHADIONE 129.043 CC1(C)OC(=O)NC1=O JYJFNDQBESEHJQ-UHFFFAOYSA-N 3081 BRD-K26674746-001-01-4 dimethicone 0 0 Sigma MFCD00008265 "1,1,1,3,3,3-hexamethyldisiloxane" 162.09 C[Si](C)(C)O[Si](C)(C)C UQEAIHBTYFGYIE-UHFFFAOYSA-N 24764 BRD-K83192048-050-03-5 dimethindene-(S)-(+) 0 97.21 Tocris 1425 "(2Z)-2-butenedioic acid compound with N,N-dimethyl-2-{3-[(1S)-1-(2-pyridinyl)ethyl]-1H-inden-2-yl}ethanamine (1:1)" 292.194 C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2| MVMQESMQSYOVGV-OAHLLOKOSA-N 6604866 BRD-K83192048-050-02-7 dimethindene-(S)-(+) 0 84.97 Tocris 1425 (S)-(+)-Dimethindene maleate 292.194 C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2| MVMQESMQSYOVGV-OAHLLOKOSA-N 6604866 BRD-K73391359-003-10-2 dimethisoquin 0 95.73 Prestwick Prestw-630 Dimethisoquin hydrochloride 272.189 CCCCc1cc2ccccc2c(OCCN(C)C)n1 XNMYNYSCEJBRPZ-UHFFFAOYSA-N 6857 BRD-K73391359-003-11-9 dimethisoquin 0 97.5 Toronto d460475 dimethisoquin hydrochloride 272.189 CCCCc1cc2ccccc2c(OCCN(C)C)n1 XNMYNYSCEJBRPZ-UHFFFAOYSA-N 6857 BRD-K31111078-001-04-2 dimethyl-fumarate 0 97.66 MicroSource 1506154 DIMETHYL FUMARATE 144.042 COC(=O)\C=C\C(=O)OC LDCRTTXIJACKKU-ONEGZZNKSA-N 637568 BRD-K31111078-001-05-9 dimethyl-fumarate 0 0 Selleck S2586 Dimethyl Fumarate 144.042 COC(=O)\C=C\C(=O)OC LDCRTTXIJACKKU-ONEGZZNKSA-N 637568 BRD-K31111078-001-03-4 dimethyl-fumarate 0 0 Selleck S2586 Dimethyl Fumarate 144.042 COC(=O)\C=C\C(=O)OC LDCRTTXIJACKKU-ONEGZZNKSA-N 637568 BRD-A17224697-001-01-0 dimethyl-isosorbide 0 0 AMS A000684285 "3,6-dimethoxyhexahydrofuro[3,2-b]furan" 174.089 "CO[C@@H]1CO[C@H]2[C@H](CO[C@@H]12)OC |&1:6,&2:9,&3:2,&4:5,r|" MEJYDZQQVZJMPP-YWIQKCBGSA-N 59968542 BRD-K01826026-001-01-9 dimetindene 0 52.79 AMS A002862705 "N,N-dimethyl-2-{3-[1-(2-pyridinyl)ethyl]-1H-inden-2-yl}ethanamine" 292.194 "C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |&1:1,r,c:2|" MVMQESMQSYOVGV-OAHLLOKOSA-N 6604866 BRD-K72728560-001-01-4 dimetridazole 0 96.89 MicroSource 1506152 DIMETRIDAZOLE 141.054 Cc1ncc(n1C)[N+]([O-])=O IBXPYPUJPLLOIN-UHFFFAOYSA-N 3090 BRD-U80626937-000-01-6 BRD-K92848252-001-01-9 diminazene-aceturate 0 87.59 MicroSource 1502349 DIMINAZENE ACETURATE 281.139 NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1 XNYZHCFCZNMTFY-UHFFFAOYSA-N 2354 BRD-M65846159-001-02-6 BRD-K92848252-001-02-7 diminazene-aceturate 0 87.18 Selleck S4104 Diminazene Aceturate 281.139 NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1 XNYZHCFCZNMTFY-UHFFFAOYSA-N 2354 BRD-M65846159-001-01-8 BRD-K92848252-001-03-5 diminazene-aceturate 0 80.7 Selleck S4104 Diminazene Aceturate 281.139 NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1 XNYZHCFCZNMTFY-UHFFFAOYSA-N 2354 BRD-M65846159-001-03-4 BRD-K60567437-001-10-2 dimpylate 0 89.72 MicroSource 330017 DIMPYLATE 304.101 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C FHIVAFMUCKRCQO-UHFFFAOYSA-N 3017 BRD-K60567437-001-13-9 dimpylate 0 91.18 Sigma MFCD00036204 Diazinon 304.101 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C FHIVAFMUCKRCQO-UHFFFAOYSA-N 3017 BRD-K13662825-001-07-5 dinaciclib 0 97.43 Selleck S2768 Dinaciclib (SCH727965) 396.227 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO PIMQWRZWLQKKBJ-SFHVURJKSA-N 46926350 BRD-K13662825-001-04-2 dinaciclib 0 Selleck S2768 Dinaciclib (SCH727965) 396.227 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO "InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1" 46926350 BRD-K93240442-001-09-9 dinitolmide 0 92.58 MedChemEx HY-B1004 Dinitolmide 225.039 Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O ZEFNOZRLAWVAQF-UHFFFAOYSA-N 3092 BRD-K93240442-001-08-4 dinitolmide 0 98.55 MicroSource 1503036 DINITOLMIDE 225.039 Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O ZEFNOZRLAWVAQF-UHFFFAOYSA-N 3092 BRD-K81672972-001-03-1 dinoprost 0 100 Enzo PG008 Dinoprost 354.241 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O PXGPLTODNUVGFL-YNNPMVKQSA-N 5280363 BRD-K81672972-234-15-9 dinoprost 0 85 Tocris 4214 Prostaglandin F2alpha 354.241 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O PXGPLTODNUVGFL-YNNPMVKQSA-N 5280363 BRD-K26521938-001-07-2 dinoprostone 0 32.25 Tocris 2296 Prostaglandin E2 352.225 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O XEYBRNLFEZDVAW-ARSRFYASSA-N 5280360 BRD-K26521938-001-09-8 dinoprostone 0 98.3 Cayman 10007211 "(5Z,11beta,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid" 352.225 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O XEYBRNLFEZDVAW-ARSRFYASSA-N 5280360 BRD-K67340225-001-02-9 dioscin 0 100 MedChemEx HY-N0124 Dioscin 868.482 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 |t:8| VNONINPVFQTJOC-ZGXDEBHDSA-N 119245 BRD-K28690501-001-03-9 diosgenin 0 100 MedChemEx HY-N0177 Diosgenin 414.313 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 |t:8| WQLVFSAGQJTQCK-VKROHFNGSA-N 99474 BRD-K28690501-001-02-1 diosgenin 0 95.08 Selleck S2291 Diosgenin 414.313 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 |t:8| WQLVFSAGQJTQCK-VKROHFNGSA-N 99474 BRD-K15864401-001-01-0 BRD-K26862302-001-06-9 diosmetin 0 98.29 MedChemEx HY-N0125 Diosmetin 300.063 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 MBNGWHIJMBWFHU-UHFFFAOYSA-N 5281612 BRD-K26862302-001-05-2 diosmetin 0 97.56 Selleck S2380 Diosmetin 300.063 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 MBNGWHIJMBWFHU-UHFFFAOYSA-N 5281612 BRD-K94436377-001-10-2 diosmin 0 88.29 MicroSource 1503219 DIOSMIN 608.174 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 GZSOSUNBTXMUFQ-YFAPSIMESA-N 5281613 BRD-K94436377-001-13-9 diosmin 0 89.97 MedChemEx HY-N0178 Diosmin 608.174 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 GZSOSUNBTXMUFQ-YFAPSIMESA-N 5281613 BRD-K94436377-001-11-0 diosmin 0 89.84 Selleck S2292 Diosmin 608.174 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 GZSOSUNBTXMUFQ-YFAPSIMESA-N 5281613 BRD-K94436377-001-12-8 diosmin 0 78.93 Selleck S2292 Diosmin 608.174 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 GZSOSUNBTXMUFQ-YFAPSIMESA-N 5281613 BRD-K22902927-001-01-4|BRD-A35279169-001-07-8 BRD-K22193694-001-14-9 dioxybenzone 0 98.11 MedChemEx HY-B0966 Dioxybenzone 244.074 COc1ccc(C(=O)c2ccccc2O)c(O)c1 MEZZCSHVIGVWFI-UHFFFAOYSA-N 8569 BRD-K22193694-001-13-6 dioxybenzone 0 96.11 MicroSource 1500255 DIOXYBENZONE 244.074 COc1ccc(C(=O)c2ccccc2O)c(O)c1 MEZZCSHVIGVWFI-UHFFFAOYSA-N 8569 BRD-K11595419-001-02-2 dipeptamin 1 0 ChemImpex 1676 (2S)-5-amino-2-{[(2S)-2-aminopropanoyl]amino}-5-oxopentanoic acid 217.106 C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O HJCMDXDYPOUFDY-WHFBIAKZSA-N 7014883 BRD-K11595419-001-01-4 dipeptamin 1 0 ChemImpex 1676 217.106 C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O HJCMDXDYPOUFDY-WHFBIAKZSA-N 7014883 BRD-A30693873-003-11-0 diperodon 0 95.2 Selleck S4397 Diperodon HCl 397.2 O=C(Nc1ccccc1)OC[C@@H](CN1CCCCC1)OC(=O)Nc1ccccc1 |&1:11| YUGZHQHSNYIFLG-HXUWFJFHSA-N 40479653 BRD-A30693873-003-12-8 diperodon 0 98.2 MicroSource 1505780 DIPERODON HYDROCHLORIDE 397.2 O=C(Nc1ccccc1)OC[C@@H](CN1CCCCC1)OC(=O)Nc1ccccc1 |&1:11| YUGZHQHSNYIFLG-HXUWFJFHSA-N 40479653 BRD-A30693873-003-13-6 diperodon 0 92.9 Selleck S4397 Diperodon hydrochloride 397.2 O=C(Nc1ccccc1)OC[C@@H](CN1CCCCC1)OC(=O)Nc1ccccc1 |&1:11| YUGZHQHSNYIFLG-HXUWFJFHSA-N 40479653 BRD-K93441486-067-13-9 diphemanil 0 87.66 MedChemEx HY-16171 Diphenmanil (methylsulfate) 278.191 C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1 LCTZPQRFOZKZNK-UHFFFAOYSA-N 6127 BRD-K93441486-067-12-8 diphemanil 0 96.64 Selleck S4034 Diphemanil Methylsulfate 278.191 C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1 LCTZPQRFOZKZNK-UHFFFAOYSA-N 6127 BRD-K51730347-001-06-4 diphencyprone 0 98.43 Sigma 42910 "2,3-diphenyl-2-cyclopropen-1-one" 206.073 O=c1c(c1-c1ccccc1)-c1ccccc1 HCIBTBXNLVOFER-UHFFFAOYSA-N 65057 BRD-K51730347-001-05-6 diphencyprone 0 0 Vitas-M STK289679 206.073 O=c1c(c1-c1ccccc1)-c1ccccc1 HCIBTBXNLVOFER-UHFFFAOYSA-N 65057 BRD-K47278471-003-26-3 diphenhydramine 0 98.11 MicroSource 1500256 DIPHENHYDRAMINE HYDROCHLORIDE 255.162 CN(C)CCOC(c1ccccc1)c1ccccc1 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 3100 BRD-K47278471-003-25-5 diphenhydramine 0 96.69 Selleck S1866 Diphenhydramine HCl 255.162 CN(C)CCOC(c1ccccc1)c1ccccc1 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 3100 BRD-K01663662-003-20-2 diphenidol 0 99.63 Enamine Z57257314 309.209 OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 OGAKLTJNUQRZJU-UHFFFAOYSA-N 3055 BRD-K01663662-003-21-0 diphenidol 0 96.93 Selleck S4292 Diphenidol hydrochloride 309.209 OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 OGAKLTJNUQRZJU-UHFFFAOYSA-N 3055 BRD-K65814004-003-03-9 diphenyleneiodonium 0 97.71 Tocris 504 Diphenyleneiodonium chloride 278.967 [I]1c2ccccc2-c2ccccc12 |^1:0| ZSZPLBNCHKXQRY-UHFFFAOYSA-N BRD-K65814004-003-02-9 diphenyleneiodonium 0 100 Tocris 504 Diphenyleneiodonium chloride 278.967 [I]1c2ccccc2-c2ccccc12 |^1:0| ZSZPLBNCHKXQRY-UHFFFAOYSA-N BRD-K12362304-001-07-3 diphenylguanidine 0 85.15 Vitas-M STK802182 211.111 N=C(Nc1ccccc1)Nc1ccccc1 OWRCNXZUPFZXOS-UHFFFAOYSA-N 7594 BRD-K12362304-001-08-9 diphenylguanidine 0 95.16 Sigma 43029 "1,3-Diphenylguanidine" 211.111 N=C(Nc1ccccc1)Nc1ccccc1 OWRCNXZUPFZXOS-UHFFFAOYSA-N 7594 BRD-K22936972-003-23-6 diphenylpyraline 0 97.93 MicroSource 1500258 DIPHENYLPYRALINE HYDROCHLORIDE 281.178 CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 OWQUZNMMYNAXSL-UHFFFAOYSA-N 3103 BRD-K22936972-003-22-8 diphenylpyraline 0 96.12 Selleck S4321 Diphenylpyraline HCl 281.178 CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 OWQUZNMMYNAXSL-UHFFFAOYSA-N 3103 BRD-K22936972-003-24-4 diphenylpyraline 0 96.57 Selleck S4321 DIPHENYLPYRALINE HYDROCHLORIDE 281.178 CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 OWQUZNMMYNAXSL-UHFFFAOYSA-N 3103 BRD-A47494775-003-11-3 dipivefrine 0 94.37 Prestwick Prestw-632 Dipivefrin hydrochloride 351.205 CNC[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 |&1:3| OCUJLLGVOUDECM-CYBMUJFWSA-N 969492 BRD-A47494775-003-12-9 dipivefrine 0 WuXi EW21509-20-P1 Dipivefrin hydrochloride 351.205 CNC[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 |&1:3| OCUJLLGVOUDECM-CYBMUJFWSA-N 969492 BRD-K64838454-001-01-0 dipraglurant 0 94.48 MedChemEx HY-14859 Dipraglurant 265.102 Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1 LZXMUJCJAWVHPZ-UHFFFAOYSA-N 44557636 BRD-K64838454-001-02-9 dipraglurant 0 94.24 MedChemEx HY-14859 Dipraglurant 265.102 Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1 LZXMUJCJAWVHPZ-UHFFFAOYSA-N 44557636 BRD-K75385383-001-01-5 DIPT 0 88.49 Cayman 11550 N-[2-(1H-indol-3-yl)ethyl]-N-isopropyl-2-propanamine 244.194 CC(C)N(CCc1c[nH]c2ccccc12)C(C)C ZRVAAGAZUWXRIP-UHFFFAOYSA-N 26903 BRD-K86301799-001-39-7 dipyridamole 0 45.46 Tocris 691 Dipyridamole 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K86301799-001-36-3 dipyridamole 0 83.92 MicroSource 1500259 DIPYRIDAMOLE 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K86301799-001-37-1 dipyridamole 0 91.41 Selleck S1895 Dipyridamole (Persantine) 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K86301799-001-40-9 dipyridamole 0 81.85 Tocris 691 Dipyridamole 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K86301799-001-34-8 dipyridamole 0 85.04 Selleck S1895 Dipyridamole 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K86301799-001-35-5 dipyridamole 0 50.43 Tocris 691 Dipyridamole 504.317 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO IZEKFCXSFNUWAM-UHFFFAOYSA-N 3108 BRD-K47608922-001-05-9 dipyrocetyl 0 80.37 MedChemEx HY-B1179 Dipyrocetyl 238.048 CC(=O)Oc1cccc(C(O)=O)c1OC(C)=O NYIZXMGNIUSNKL-UHFFFAOYSA-N 68093 BRD-K47608922-001-04-7 dipyrocetyl 0 46.15 MicroSource 1503032 DIPYROCETYL 238.048 CC(=O)Oc1cccc(C(O)=O)c1OC(C)=O NYIZXMGNIUSNKL-UHFFFAOYSA-N 68093 BRD-K00003514-342-01-9 diquafosol 0 97.3 MedChemEx HY-B0606 Diquafosol (tetrasodium) 789.994 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O NMLMACJWHPHKGR-NCOIDOBVSA-N 148197 BRD-K52756523-001-27-0 dirithromycin 0 86.6 AvaChem 2876 "(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-" 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-K52756523-001-24-7 dirithromycin 0 82.32 MicroSource 1504144 DIRITHROMYCIN 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-K52756523-001-28-8 dirithromycin 0 95.4 Sigma MFCD00865041 "(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-ethyl-2,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl;tetrahydro-2H-pyran-2-yl)oxy)-15-((2-methoxyethoxy)met" 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-K15706428-001-01-2 BRD-K52756523-001-25-4 dirithromycin 0 91.3 MedChemEx HY-B0643 Dirithromycin 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-A77786295-001-01-1 BRD-K52756523-001-31-9 dirithromycin 0 100 MedChemEx HY-B0643 Dirithromycin 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-K52756523-001-26-2 dirithromycin 0 71.47 Selleck S4213 Dirithromycin 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-A83603976-001-01-6 BRD-K52756523-001-29-6 dirithromycin 0 75.68 Selleck S4213 Dirithromycin 834.545 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O WLOHNSSYAXHWNR-FDEBZETHSA-N 132274085 BRD-A44120870-001-01-6 BRD-K87386013-001-01-7 diroximel-fumarate 0 97.29 WuXi WXC04774 255.074 COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O YIMYDTCOUQIDMT-SNAWJCMRSA-N 73330464 BRD-K66672047-304-01-3 disodium-sebacate 0 68.1 Sigma MFCD00070501 disodium sebacate 202.121 OC(=O)CCCCCCCCC(O)=O CXMXRPHRNRROMY-UHFFFAOYSA-N 5192 BRD-A29734509-011-13-6 disopyramide 0 97.94 MicroSource 1500261 DISOPYRAMIDE PHOSPHATE 339.231 CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C |&1:6| UVTNFZQICZKOEM-UHFFFAOYSA-N 3114 BRD-A29734509-011-12-8 disopyramide 0 94.3 Selleck S4322 Disopyramide Phosphate 339.231 CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C |&1:6| UVTNFZQICZKOEM-UHFFFAOYSA-N 3114 BRD-A29734509-011-14-4 disopyramide 0 95.79 Selleck S4322 Disopyramide 339.231 CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C |&1:6| UVTNFZQICZKOEM-UHFFFAOYSA-N 3114 BRD-K32744045-001-31-2 disulfiram 0 99.04 MicroSource 1500262 DISULFIRAM 296.051 CCN(CC)C(=S)SSC(=S)N(CC)CC AUZONCFQVSMFAP-UHFFFAOYSA-N 3117 BRD-K32744045-001-30-4 disulfiram 0 90.47 Selleck S1680 Disulfiram 296.051 CCN(CC)C(=S)SSC(=S)N(CC)CC AUZONCFQVSMFAP-UHFFFAOYSA-N 3117 BRD-K32744045-001-34-6 disulfiram 0 93.01 Selleck S1680 disulfiram 296.051 CCN(CC)C(=S)SSC(=S)N(CC)CC AUZONCFQVSMFAP-UHFFFAOYSA-N 3117 BRD-K51807679-001-06-8 dithranol 0 0 Sigma D2953000 "1,8,9-anthracenetriol" 226.063 Oc1cccc2cc3cccc(O)c3c(O)c12 YUTJCNNFTOIOGT-UHFFFAOYSA-N 10187 BRD-K40654626-236-02-3 ditiocarb-sodium-trihydrate 1 0 Enamine Z104495648 sodium diethyldithiocarbamate 149.033 CCN(CC)C(S)=S LMBWSYZSUOEYSN-UHFFFAOYSA-N 8987 BRD-K40654626-236-01-5 ditiocarb-sodium-trihydrate 1 0 Enamine Z104495648 149.033 CCN(CC)C(S)=S LMBWSYZSUOEYSN-UHFFFAOYSA-N 8987 BRD-K33459542-001-08-9 ditolylguanidine 0 93.56 Tocris 841 DTG 239.142 Cc1ccccc1NC(=N)Nc1ccccc1C OPNUROKCUBTKLF-UHFFFAOYSA-N 7333 BRD-K33459542-001-07-4 ditolylguanidine 0 89.42 Tocris 841 DTG 239.142 Cc1ccccc1NC(=N)Nc1ccccc1C OPNUROKCUBTKLF-UHFFFAOYSA-N 7333 BRD-K05919151-001-01-6 dixanthogen 1 0 MicroSource 1503891 DIXANTHOGEN 241.956 CCOC(=S)SSC(=S)OCC FVIGODVHAVLZOO-UHFFFAOYSA-N 10404 BRD-K05919151-001-02-9 dixanthogen 1 0 Sigma MFCD00022144 "O,O-DIETHYL DITHIOBIS-(THIOFORMATE)" 241.956 CCOC(=S)SSC(=S)OCC FVIGODVHAVLZOO-UHFFFAOYSA-N 10404 BRD-K00003339-001-01-9 dixyrazine 0 96.92 MedChemEx HY-U00153 Dixyrazine 427.229 "C[C@H](CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc12 |&1:1,r|" MSYUMPGNGDNTIQ-HXUWFJFHSA-N 9932302 BRD-K23163214-050-16-9 dizocilpine-(-) 0 97.62 Tocris 955 (-)-MK 801 maleate 221.12 C[C@@]12N[C@@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-JKSUJKDBSA-N 6337640 BRD-K23163214-050-15-1 dizocilpine-(-) 0 99.01 Tocris 955 (-)-MK 801 maleate 221.12 C[C@@]12N[C@@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-JKSUJKDBSA-N 6337640 BRD-K23163214-051-01-9 dizocilpine-(-) 0 98.43 Selleck S2876 (-)-MK 801 Maleate 221.12 C[C@@]12N[C@@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-JKSUJKDBSA-N 6337640 BRD-K58930050-050-16-6 dizocilpine-(+) 0 98.29 Tocris 924 (+)-MK 801 maleate 221.12 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-CVEARBPZSA-N 180081 BRD-K58930050-050-17-9 dizocilpine-(+) 0 97.41 Tocris 924 (+)-MK 801 maleate 221.12 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-CVEARBPZSA-N 180081 BRD-K58930050-050-15-8 dizocilpine-(+) 0 98.82 Tocris 924 (+)-MK 801 maleate 221.12 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-CVEARBPZSA-N 180081 BRD-K58930050-001-05-2 dizocilpine-(+) 0 97.47 Selleck S2857 MK-801 (Dizocilpine) 221.12 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 LBOJYSIDWZQNJS-CVEARBPZSA-N 180081 BRD-K26573499-300-03-9 DMAB-anabaseine 0 74.7 Tocris 2241 DMAB-anabaseine dihydrochloride 291.174 CN(C)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| KHUUTHZSRXABAC-DTQAZKPQSA-N 9926048 BRD-K26573499-300-02-1 DMAB-anabaseine 0 90.18 Tocris 2241 DMAB-anabaseine dihydrochloride 291.174 CN(C)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| KHUUTHZSRXABAC-DTQAZKPQSA-N 9926048 BRD-K26573499-300-04-9 DMAB-anabaseine 0 91.34 Tocris 2241 DMAB-anabaseine dihydrochloride 291.174 CN(C)c1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| KHUUTHZSRXABAC-DTQAZKPQSA-N 9926048 BRD-K36775483-001-02-9 DMeOB 0 94.04 Tocris 1953 DMeOB 268.121 COc1cccc(\C=N\N=C\c2cccc(OC)c2)c1 FBNPHFBYHYNMHC-JYFOCSDGSA-N 6891506 BRD-K36775483-001-01-4 DMeOB 0 98.09 Tocris 1953 DMeOB 268.121 COc1cccc(\C=N\N=C\c2cccc(OC)c2)c1 FBNPHFBYHYNMHC-JYFOCSDGSA-N 6891506 BRD-K77961099-001-01-6 BRD-K39381259-001-01-0 DMH1 0 98.8 Selleck S7146 DMH1 380.164 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 JMIFGARJSWXZSH-UHFFFAOYSA-N 50997747 BRD-K39381259-001-02-8 DMH1 0 96.91 Tocris 4126 DMH-1 380.164 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 JMIFGARJSWXZSH-UHFFFAOYSA-N 50997747 BRD-K39381259-001-03-9 DMH1 0 97.41 Tocris 4126 DMH-1 380.164 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 JMIFGARJSWXZSH-UHFFFAOYSA-N 50997747 BRD-K40575944-001-02-9 DMH4 0 96.4 Tocris 4471 DMH4 400.19 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 SKZQZGSPYYHTQG-UHFFFAOYSA-N 5329447 BRD-K40575944-001-01-5 DMH4 0 97.3 Tocris 4471 DMH4 400.19 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 SKZQZGSPYYHTQG-UHFFFAOYSA-N 5329447 BRD-K03564313-001-04-9 DMNB 0 84.23 Tocris 2088 DMNB 211.048 COc1cc(C=O)c(cc1OC)[N+]([O-])=O YWSPWKXREVSQCA-UHFFFAOYSA-N 88505 BRD-K03564313-001-03-3 DMNB 0 94.25 Tocris 2088 DMNB 211.048 COc1cc(C=O)c(cc1OC)[N+]([O-])=O YWSPWKXREVSQCA-UHFFFAOYSA-N 88505 BRD-K89274813-001-03-1 DMP-543 0 96.22 Tocris 2330 DMP 543 412.139 Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 MUJBUUDUXGDXLW-UHFFFAOYSA-N 9887884 BRD-K89274813-001-02-3 DMP-543 0 98.35 Tocris 2330 DMP 543 412.139 Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 MUJBUUDUXGDXLW-UHFFFAOYSA-N 9887884 BRD-K89274813-001-04-9 DMP-543 0 96.58 Tocris 2330 DMP 543 412.139 Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 MUJBUUDUXGDXLW-UHFFFAOYSA-N 9887884 BRD-K54936858-001-02-9 DMP-777 0 87.92 MedChemEx HY-75957 DMP 777 564.295 CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 ZSDCIRYNTCVTMF-GIGWZHCTSA-N 177992 BRD-K54936858-001-01-6 DMP-777 0 87.47 MedChemEx HY-75957 DMP 777 564.295 CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 ZSDCIRYNTCVTMF-GIGWZHCTSA-N 177992 BRD-A22971209-001-01-0 DMPS 1 0 Vitas-M STK386918 187.964 "OS(=O)(=O)C[C@@H](S)CS |&1:5,r|" JLVSRWOIZZXQAD-VKHMYHEASA-N 1549058 BRD-M56212252-001-01-0 DMSO 0 0 Sigma 41639 (methylsulfinyl)methane 78.014 CS(C)=O.CS(C)=O CETRZFQIITUQQL-UHFFFAOYSA-N 21584481 BRD-K08970894-001-03-4 BRD-K64400208-001-09-1 DNQX 0 86.83 Tocris 189 DNQX 252.013 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+]([O-])=O RWVIMCIPOAXUDG-UHFFFAOYSA-N 3899541 BRD-K64400208-304-01-6 DNQX 0 95.18 Tocris 2312 DNQX disodium salt 252.013 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+]([O-])=O RWVIMCIPOAXUDG-UHFFFAOYSA-N 3899541 BRD-K64400208-001-08-3 DNQX 0 95.86 Tocris 189 DNQX 252.013 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+]([O-])=O RWVIMCIPOAXUDG-UHFFFAOYSA-N 3899541 BRD-K64400208-001-10-9 DNQX 0 90.36 Tocris 189 DNQX 252.013 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+]([O-])=O RWVIMCIPOAXUDG-UHFFFAOYSA-N 3899541 BRD-A78322124-003-16-5 dobutamine 0 0 Tocris 515 Dobutamine hydrochloride 301.168 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 JRWZLRBJNMZMFE-UHFFFAOYSA-N 65324 BRD-A78322124-003-18-1 dobutamine 0 79.75 MedChemEx HY-15746 Dobutamine (hydrochloride) 301.168 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 JRWZLRBJNMZMFE-UHFFFAOYSA-N 65324 BRD-A78322124-003-17-3 dobutamine 0 56.06 Tocris 515 "4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)-1,2-benzenediol hydrochloride" 301.168 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 JRWZLRBJNMZMFE-UHFFFAOYSA-N 65324 BRD-A78322124-003-15-7 dobutamine 0 76.94 MedChemEx HY-15746 Dobutamine (hydrochloride) 301.168 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 JRWZLRBJNMZMFE-UHFFFAOYSA-N 65324 BRD-A78322124-003-14-0 dobutamine 0 92.61 Tocris 515 Dobutamine hydrochloride 301.168 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 JRWZLRBJNMZMFE-UHFFFAOYSA-N 65324 BRD-K08290224-001-14-5 docebenone 0 62.9 Enzo EI216 Docebenone 326.188 "CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O |c:1,t:19|" WDEABJKSGGRCQA-UHFFFAOYSA-N 1967 BRD-K30577245-341-01-9 docetaxel 0 92.04 MicroSource 1502273 DOCETAXEL 807.347 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C |t:53| ZDZOTLJHXYCWBA-VCVYQWHSSA-N 148124 BRD-A05821830-341-01-5 BRD-K30577245-001-04-3 docetaxel 0 99.62 Selleck S1148 Docetaxel (Taxotere) 807.347 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C |t:53| ZDZOTLJHXYCWBA-VCVYQWHSSA-N 148124 BRD-A05821830-001-05-6 BRD-K30577245-001-05-0 docetaxel 0 84.28 Selleck S1148 Docetaxel 807.347 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C |t:53| ZDZOTLJHXYCWBA-VCVYQWHSSA-N 148124 BRD-K63265447-001-07-4|BRD-A28612473-001-01-3 BRD-K39965020-001-09-1 doconexent 0 47.46 MicroSource 1503885 DOCONEXENT 328.24 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O MBMBGCFOFBJSGT-KUBAVDMBSA-N 445580 BRD-K39965020-001-12-5 doconexent 0 56.12 Sigma D2534 "(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoic acid" 328.24 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O MBMBGCFOFBJSGT-KUBAVDMBSA-N 445580 BRD-K61937613-001-01-1 doconexent-ethyl-ester 1 0 Cayman 9090310 356.272 CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ITNKVODZACVXDS-YNUSHXQLSA-N 9831416 BRD-K50050533-001-05-9 docosanol 1 0 MedChemEx HY-B0222 1-Docosanol 326.355 CCCCCCCCCCCCCCCCCCCCCCO NOPFSRXAKWQILS-UHFFFAOYSA-N 12620 BRD-K50050533-001-03-9 docosanol 1 0 MicroSource 1505729 DOCOSANOL 326.355 CCCCCCCCCCCCCCCCCCCCCCO NOPFSRXAKWQILS-UHFFFAOYSA-N 12620 BRD-K50050533-001-04-7 docosanol 1 0 Selleck S1637 Docosanol (Abreva) 326.355 CCCCCCCCCCCCCCCCCCCCCCO NOPFSRXAKWQILS-UHFFFAOYSA-N 12620 BRD-K50050533-001-02-1 docosanol 1 0 Selleck S1637 Docosanol (Abreva) 326.355 CCCCCCCCCCCCCCCCCCCCCCO NOPFSRXAKWQILS-UHFFFAOYSA-N 12620 BRD-A00092689-236-04-9 docusate 0 93.4 MedChemEx HY-B1268 Docusate (Sodium) 422.234 "CCCC[C@@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(O)(=O)=O |&1:4,&2:12,&3:17|" HNSDLXPSAYFUHK-SQNIBIBYSA-N 40473171 BRD-A00092689-236-03-8 docusate 0 60.87 MicroSource 1503881 DOCUSATE SODIUM 422.234 "CCCC[C@@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(O)(=O)=O |&1:4,&2:12,&3:17|" HNSDLXPSAYFUHK-SQNIBIBYSA-N 40473171 BRD-K05680146-001-01-2 dodecyl-sulfate 0 0 Sigma MFCD00067711 dodecyl hydrogen sulfate 266.155 CCCCCCCCCCCCOS(O)(=O)=O MOTZDAYCYVMXPC-UHFFFAOYSA-N 8778 BRD-A14941520-051-01-0 dofequidar 0 98.23 MedChemEx HY-17013A Dofequidar (fumarate) 481.237 OC(COc1cccc2ncccc12)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1 KLWUUPVJTLHYIM-UHFFFAOYSA-N 9960287 BRD-K86887724-001-12-2 dofetilide 0 88.95 Tocris 3757 Dofetilide 441.139 CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 IXTMWRCNAAVVAI-UHFFFAOYSA-N 71329 BRD-K86887724-001-10-6 dofetilide 0 93.46 Selleck S1658 Dofetilide (Tikosyn) 441.139 CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 IXTMWRCNAAVVAI-UHFFFAOYSA-N 71329 BRD-K86887724-001-13-9 dofetilide 0 95.15 Tocris 3757 Dofetilide 441.139 CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 IXTMWRCNAAVVAI-UHFFFAOYSA-N 71329 BRD-K86887724-001-09-8 dofetilide 0 25.43 Selleck S1658 Dofetilide 441.139 CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 IXTMWRCNAAVVAI-UHFFFAOYSA-N 71329 BRD-K28029915-066-03-3 dolasetron 0 98.54 Tocris 5629 Dolasetron mesylate 324.147 O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 UKTAZPQNNNJVKR-YXSUXZIUSA-N BRD-K37792492-066-01-0|BRD-A03259768-066-01-9 BRD-K28029915-066-04-9 dolasetron 0 96.78 Tocris 5629 Dolasetron mesylate 324.147 O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 UKTAZPQNNNJVKR-YXSUXZIUSA-N BRD-K28029915-001-02-2 dolasetron 0 99.45 Enzo DL199 Dolasetron 324.147 O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 UKTAZPQNNNJVKR-YXSUXZIUSA-N BRD-K34008116-001-01-7 BRD-K78567475-001-01-4 dolastatin-10 0 94.05 MedChemEx HY-15580 Dolastatin 10 784.492 CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C OFDNQWIFNXBECV-VFSYNPLYSA-N 9810929 BRD-K78567475-001-02-9 dolastatin-10 0 91.4 MedChemEx HY-15580 Dolastatin 10 784.492 CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C OFDNQWIFNXBECV-VFSYNPLYSA-N 9810929 BRD-K67463151-001-02-9 dolutegravir 0 98.59 MedChemEx HY-13238 Dolutegravir 419.129 C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 RHWKPHLQXYSBKR-BMIGLBTASA-N 54726191 BRD-K30431096-004-02-9 domiphen 0 98.79 MedChemEx HY-B1467 Domiphen (bromide) 334.311 CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 YXUPZGKORWTXID-UHFFFAOYSA-N 3149 BRD-K30431096-004-01-3 domiphen 0 93.67 Selleck S4186 Domiphen Bromide 334.311 CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 YXUPZGKORWTXID-UHFFFAOYSA-N 3149 BRD-K38305202-001-18-2 domperidone 0 97.15 MicroSource 2300212 DOMPERIDONE 425.162 Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 FGXWKSZFVQUSTL-UHFFFAOYSA-N 3151 BRD-K38305202-001-17-4 domperidone 0 97.24 Tocris 2536 Domperidone 425.162 Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 FGXWKSZFVQUSTL-UHFFFAOYSA-N 3151 BRD-K38305202-001-16-6 domperidone 0 97.09 Selleck S2461 Domperidone 425.162 Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 FGXWKSZFVQUSTL-UHFFFAOYSA-N 3151 BRD-A49160188-003-12-7 donepezil 0 97.71 MicroSource 1504403 DONEPEZIL HYDROCHLORIDE 379.215 COc1cc2C[C@@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |r| ADEBPBSSDYVVLD-HXUWFJFHSA-N 1150567 BRD-A49160188-003-11-9 donepezil 0 97.48 Selleck S2462 Donepezil HCl (Aricept) 379.215 COc1cc2C[C@@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |r| ADEBPBSSDYVVLD-HXUWFJFHSA-N 1150567 BRD-K31092604-003-03-5 donitriptan 0 97.35 Tocris 3665 Donitriptan hydrochloride 403.201 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)C#N)cc12 SOHCKWZVTCTQBG-UHFFFAOYSA-N 197706 BRD-K43887077-003-26-3 dopamine 0 100 MicroSource 1500263 DOPAMINE HYDROCHLORIDE 153.079 NCCc1ccc(O)c(O)c1 VYFYYTLLBUKUHU-UHFFFAOYSA-N 681 BRD-K43887077-003-27-1 dopamine 0 85.26 Selleck S2529 Dopamine hydrochloride (Inotropin) 153.079 NCCc1ccc(O)c(O)c1 VYFYYTLLBUKUHU-UHFFFAOYSA-N 681 BRD-K43887077-003-25-5 dopamine 0 0 Selleck S2529 Dopamine HCl 153.079 NCCc1ccc(O)c(O)c1 VYFYYTLLBUKUHU-UHFFFAOYSA-N 681 BRD-K74065929-001-10-9 doramapimod 0 96.66 Tocris 5989 BIRB 796 527.29 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C MVCOAUNKQVWQHZ-UHFFFAOYSA-N 156422 BRD-K74065929-001-08-0 doramapimod 0 93.78 Selleck S1574 BIRB 796 (Doramapimod) 527.29 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C MVCOAUNKQVWQHZ-UHFFFAOYSA-N 156422 BRD-K74065929-001-07-2 doramapimod 0 87.92 Selleck S1574 BIRB 796 (Doramapimod) 527.29 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C MVCOAUNKQVWQHZ-UHFFFAOYSA-N 156422 BRD-K00003581-001-01-9 doramectin 0 85.08 MedChemEx HY-17035 Doramectin 898.508 "[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@@]5(O[C@H](C6CCCCC6)[C@@H](C)C=C5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:4,58,t:6,37,68|" QLFZZSKTJWDQOS-YDBLARSUSA-N 9832750 BRD-K00003231-001-01-9 doravirine 0 88.76 MedChemEx HY-16767 Doravirine 425.05 Cn1c(Cn2ccc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O ZIAOVIPSKUPPQW-UHFFFAOYSA-N 58460047 BRD-K45319714-002-02-7 doripenem 0 24.7 Sigma MFCD09749887 "(4R,5S,6S)-3-[((3S,5S)-5-{[(aminosulfonyl)amino]methyl}-3-pyrrolidinyl)sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate" 420.114 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O |c:20| AVAACINZEOAHHE-VFZPANTDSA-N 73303 BRD-K45319714-002-04-3 doripenem 0 18.82 MedChemEx HY-B0187A Doripenem (monohydrate) 420.114 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O |c:20| AVAACINZEOAHHE-VFZPANTDSA-N 73303 BRD-K45319714-002-03-5 doripenem 0 37.18 MedChemEx HY-B0187A Doripenem (monohydrate) 420.114 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O |c:20| AVAACINZEOAHHE-VFZPANTDSA-N 73303 BRD-K45319714-002-05-0 doripenem 0 0 Selleck S1374 Doripenem Hydrate 420.114 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O |c:20| AVAACINZEOAHHE-VFZPANTDSA-N 73303 BRD-K20901660-002-03-3 BRD-K45319714-002-01-9 doripenem 0 42.28 Selleck S1374 Doripenem Hydrate 420.114 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O |c:20| AVAACINZEOAHHE-VFZPANTDSA-N 73303 BRD-K54233340-300-05-1 dorsomorphin 0 91.96 Tocris 3093 Dorsomorphin dihydrochloride 399.206 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 XHBVYDAKJHETMP-UHFFFAOYSA-N 11524144 BRD-K54233340-001-07-9 dorsomorphin 0 MedChemEx HY-13418A 399.206 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 "InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2" 11524144 BRD-K48617017-003-14-9 dorzolamide 0 78.1 MedChemEx HY-B0109A Dorzolamide (hydrochloride) 324.027 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O IAVUPMFITXYVAF-XPUUQOCRSA-N 5284549 BRD-K54759182-003-08-0 dosulepin 0 97.97 Prestwick Prestw-488 Dosulepin hydrochloride 295.139 CN(C)CC\C=C1/c2ccccc2CSc2ccccc12 PHTUQLWOUWZIMZ-GZTJUZNOSA-N 5284550 BRD-K54759182-003-09-8 dosulepin 0 65.86 SantaCruz sc-300503 Dothiepin hydrochloride 295.139 CN(C)CC\C=C1/c2ccccc2CSc2ccccc12 PHTUQLWOUWZIMZ-GZTJUZNOSA-N 5284550 BRD-K00004678-001-01-9 DOTMP 0 0 AMS A100369 "[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methylphosphonic acid" 548.097 OP(O)(=O)CN1CCN(CP(O)(O)=O)CCN(CP(O)(O)=O)CCN(CP(O)(O)=O)CC1 RCXMQNIDOFXYDO-UHFFFAOYSA-N 124761 BRD-K85402309-406-01-8 dovitinib 0 96.83 Selleck S7765 Dovitinib (TKI258) Lactate 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K85402309-001-07-4 dovitinib 0 86.31 Selleck S1018 Dovitinib (TKI-258) 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K85402309-389-03-2 dovitinib 0 79.33 Selleck S2769 Dovitinib (TKI-258) Dilactic Acid 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K85402309-001-06-6 dovitinib 0 90.23 Selleck S1018 "Dovitinib (TKI-258, CHIR-258)" 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K85402309-389-04-0 dovitinib 0 77.54 Selleck S2769 Dovitinib Dilactic acid (TKI258 Dilactic aci 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K85402309-043-01-9 dovitinib 0 96.74 Selleck S7765 2-hydroxypropanoic acid compound with 4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-2-quinolinol (1:1) 392.176 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O PIQCTGMSNWUMAF-UHFFFAOYSA-N 135398510 BRD-K01825594-311-04-9 doxapram 0 95.19 MedChemEx HY-B0551A Doxapram (hydrochloride hydrate) 378.231 CCN1C[C@@H](CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 |&1:4| XFDJYSQDBULQSI-JOCHJYFZSA-N 28248394 BRD-K01825594-311-02-9 doxapram 0 97.8 Selleck S4037 Doxapram HCl 432.218 CCN1C[C@@H](CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 |&1:4| XFDJYSQDBULQSI-JOCHJYFZSA-N 28248394 BRD-K01825594-311-03-9 doxapram 0 72.83 MicroSource 1505534 DOXAPRAM HYDROCHLORIDE 432.218 CCN1C[C@@H](CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 |&1:4| XFDJYSQDBULQSI-JOCHJYFZSA-N 28248394 BRD-A47978079-003-01-9 BRD-K01825125-066-05-9 doxazosin 0 96.8 Tocris 2964 Doxazosin mesylate 451.186 "COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1 |&1:23,r|" RUZYUOTYCVRMRZ-HXUWFJFHSA-N 6604102 BRD-K37694030-003-12-7 doxepin 0 98.99 MicroSource 1500264 DOXEPIN HYDROCHLORIDE 279.162 CN(C)CC\C=C1\c2ccccc2COc2ccccc12 ODQWQRRAPPTVAG-BOPFTXTBSA-N 667468 BRD-K37694030-003-11-9 doxepin 0 97.2 Tocris 508 Doxepin hydrochloride 279.162 CN(C)CC\C=C1\c2ccccc2COc2ccccc12 ODQWQRRAPPTVAG-BOPFTXTBSA-N 667468 BRD-K82928892-001-02-5 doxercalciferol 0 85.38 Selleck S1467 Doxercalciferol (Hectorol) 412.334 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C HKXBNHCUPKIYDM-ZKVKAWQFSA-N 46931009 BRD-K82928892-001-04-1 doxercalciferol 0 95.96 Selleck S1467 Doxercalciferol (Hectorol) 412.334 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C HKXBNHCUPKIYDM-ZKVKAWQFSA-N 46931009 BRD-K82928892-001-03-3 doxercalciferol 0 0 Selleck S1467 Doxercalciferol 412.334 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C HKXBNHCUPKIYDM-ZKVKAWQFSA-N 46931009 BRD-K07234650-001-01-4 BRD-K58262659-001-12-9 doxifluridine 0 97.12 MedChemEx HY-B0021 Doxifluridine 246.065 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O ZWAOHEXOSAUJHY-ZIYNGMLESA-N 18343 BRD-K58262659-001-10-5 doxifluridine 0 96.34 MicroSource 1501189 DOXIFLURIDINE 246.065 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O ZWAOHEXOSAUJHY-ZIYNGMLESA-N 18343 BRD-A68537732-001-03-6 BRD-K58262659-001-09-7 doxifluridine 0 96.4 Selleck S2045 Doxifluridine 246.065 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O ZWAOHEXOSAUJHY-ZIYNGMLESA-N 18343 BRD-K83057217-001-01-2 BRD-K70507123-001-11-9 doxofylline 0 98.66 MedChemEx HY-B0004 Doxofylline 266.102 Cn1c2ncn(CC3OCCO3)c2c(=O)n(C)c1=O HWXIGFIVGWUZAO-UHFFFAOYSA-N 50942 BRD-K70507123-001-09-7 doxofylline 0 99.7 MicroSource 1502358 DOXOFYLLINE 266.102 Cn1c2ncn(CC3OCCO3)c2c(=O)n(C)c1=O HWXIGFIVGWUZAO-UHFFFAOYSA-N 50942 BRD-K70507123-001-08-9 doxofylline 0 97.83 Selleck S4164 Doxofylline 266.102 Cn1c2ncn(CC3OCCO3)c2c(=O)n(C)c1=O HWXIGFIVGWUZAO-UHFFFAOYSA-N 50942 BRD-K92093830-003-33-2 doxorubicin 0 93.34 Selleck S1208 doxorubicin 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-K92093830-001-05-4 doxorubicin 0 89.09 MicroSource 1505483 DOXORUBICIN 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-A52530684-001-02-9 BRD-K92093830-003-34-0 doxorubicin 0 87.44 Tocris 2252 Doxorubicin hydrochloride 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-K92093830-003-35-7 doxorubicin 0 92.9 Selleck S1208 Doxorubicin (Adriamycin) 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-K61468417-003-01-1 BRD-K92093830-003-31-6 doxorubicin 0 92.86 Selleck S1208 Doxorubicin (Adriamycin) 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-K92093830-003-30-8 doxorubicin 0 96.83 Tocris 2252 Doxorubicin hydrochloride 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-TZSSRYMLSA-N 31703 BRD-K01825679-003-04-9 doxycycline 0 0 MedChemEx HY-N0565B 444.153 "C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c2c(O)cccc12 |a:1,2,3,5,6,18,&1:12,&2:22,c:22,t:11|" JBIWCJUYHHGXTC-AKNGSSGZSA-N BRD-K01825679-311-02-9 doxycycline 0 99 Selleck S4163 Doxycycline hyclate 498.141 "C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c2c(O)cccc12 |a:1,2,3,5,6,18,&1:12,&2:22,c:22,t:11|" JBIWCJUYHHGXTC-AKNGSSGZSA-N BRD-M28128163-312-03-8 BRD-K01825679-311-01-9 doxycycline 0 88.97 Selleck S4163 Doxycycline Hyclate 498.141 "C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c2c(O)cccc12 |a:1,2,3,5,6,18,&1:12,&2:22,c:22,t:11|" JBIWCJUYHHGXTC-AKNGSSGZSA-N BRD-M28128163-312-01-2|BRD-M68646745-311-09-6 BRD-A44008656-036-25-8 doxylamine 0 98.3 MicroSource 1500267 DOXYLAMINE SUCCINATE 270.173 CN(C)CCOC(C)(c1ccccc1)c1ccccn1 HCFDWZZGGLSKEP-UHFFFAOYSA-N 43833352 BRD-A44008656-036-24-1 doxylamine 0 91.81 Selleck S4240 Doxylamine Succinate 270.173 CN(C)CCOC(C)(c1ccccc1)c1ccccn1 HCFDWZZGGLSKEP-UHFFFAOYSA-N 43833352 BRD-K00004636-001-01-9 DpC 0 100 Sigma SML0483 3-[bis(2-pyridyl)methyleneamino]-1-cyclohexyl-1-methyl-thiourea 353.167 CN(C1CCCCC1)C(=S)NN=C(c1ccccn1)c1ccccn1 GNLZNQJBZNOUBM-UHFFFAOYSA-N 57380301 BRD-K37087535-001-01-1 DPC-681 0 97.55 MedChemEx HY-19400 DPC-681 669.336 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNCc1cccc(F)c1)C(C)(C)C)S(=O)(=O)c1cccc(N)c1 PNIFFZXGBAYVMQ-RKKDRKJOSA-N 456215 BRD-K01824921-001-19-9 DPCPX 0 97.2 Tocris 439 DPCPX 304.19 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 FFBDFADSZUINTG-UHFFFAOYSA-N 1329 BRD-K01824921-001-18-5 DPCPX 0 99.02 Tocris 439 DPCPX 304.19 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 FFBDFADSZUINTG-UHFFFAOYSA-N 1329 BRD-A64553394-001-04-4 DPI-201106 0 94.82 Enzo NA116 SDZ-201106 466.237 "O[C@@H](COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |&1:1,r|" BYBYHCOEAFHGJL-RUZDIDTESA-N 10389826 BRD-K99922388-001-02-0 DPO-1 0 98.66 Tocris 2533 DPO-1 340.196 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 BPCNGVCAHAIZEE-COPCDDAFSA-N 21678144 BRD-K99922388-001-03-9 DPO-1 0 93.22 Tocris 2533 DPO-1 340.196 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 BPCNGVCAHAIZEE-COPCDDAFSA-N 21678144 BRD-K80315159-051-03-9 DPPE 0 94.69 Tocris 743 DPPE fumarate 283.194 CCN(CC)CCOc1ccc(Cc2ccccc2)cc1 NFIXBCVWIPOYCD-UHFFFAOYSA-N 108092 BRD-K80315159-051-02-0 DPPE 0 92.86 Tocris 743 DPPE fumarate 283.194 CCN(CC)CCOc1ccc(Cc2ccccc2)cc1 NFIXBCVWIPOYCD-UHFFFAOYSA-N 108092 BRD-A67976398-001-02-9 DQP-1105 0 94.9 Tocris 4491 DQP 1105 557.095 "Cc1ccc2[nH]c(=O)c(C3=NN([C@@H](C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |&1:12,r,t:9|" MVYNQMRZRULRIE-DEOSSOPVSA-N 136902743 BRD-A67976398-001-01-6 DQP-1105 0 93.59 Tocris 4491 DQP 1105 557.095 "Cc1ccc2[nH]c(=O)c(C3=NN([C@@H](C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |&1:12,r,t:9|" MVYNQMRZRULRIE-DEOSSOPVSA-N 136902743 BRD-K94920105-001-03-9 DR-2313 0 64.58 Tocris 2496 DR 2313 182.051 Cc1nc(=O)c2CSCCc2[nH]1 HRYKZAKEAVZGJD-UHFFFAOYSA-N 135522417 BRD-K94920105-001-05-9 DR-2313 0 86.89 Tocris 2496 DR 2313 182.051 Cc1nc(=O)c2CSCCc2[nH]1 HRYKZAKEAVZGJD-UHFFFAOYSA-N 135522417 BRD-A39794701-003-02-9 DR-4485 0 97.46 Tocris 5005 DR 4485 hydrochloride 454.158 "Clc1ccc(cc1)C1=CCN(CCCC[C@@]23CCCc4c2c(NC3=O)ccc4Cl)CC1 |&1:15,t:8|" SBTRHJHOLCAPFT-AREMUKBSSA-N 92211523 BRD-A39794701-003-01-6 DR-4485 0 98.04 Tocris 5005 DR 4485 hydrochloride 454.158 "Clc1ccc(cc1)C1=CCN(CCCC[C@@]23CCCc4c2c(NC3=O)ccc4Cl)CC1 |&1:15,t:8|" SBTRHJHOLCAPFT-AREMUKBSSA-N 92211523 BRD-K25486274-300-02-8 DRF053-(R) 0 92.37 Tocris 3610 (R)-DRF053 dihydrochloride 417.228 CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 LWANFAFTTOKZAX-QGZVFWFLSA-N 25168304 BRD-K25486274-300-01-0 DRF053-(R) 0 94.78 Tocris 3610 (R)-DRF053 dihydrochloride 417.228 CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 LWANFAFTTOKZAX-QGZVFWFLSA-N 25168304 BRD-K25486274-300-03-9 DRF053-(R) 0 95.49 Tocris 3610 (R)-DRF053 dihydrochloride 417.228 CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 LWANFAFTTOKZAX-QGZVFWFLSA-N 25168304 BRD-A22267103-003-13-1 drofenine 0 93.04 MicroSource 1500999 DROFENINE HYDROCHLORIDE 317.235 CCN(CC)CCOC(=O)[C@@H](C1CCCCC1)c1ccccc1 |&1:10| AGJBLWCLQCKRJP-LJQANCHMSA-N 38988270 BRD-A22267103-003-14-9 drofenine 0 88.88 MedChemEx HY-B1239 Drofenine (hydrochloride) 317.235 CCN(CC)CCOC(=O)[C@@H](C1CCCCC1)c1ccccc1 |&1:10| AGJBLWCLQCKRJP-LJQANCHMSA-N 38988270 BRD-K38477637-001-01-0 droloxifene 0 82.82 LKT D6957 3-((1E)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-butenyl)phenol 387.22 CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1 ZQZFYGIXNQKOAV-OCEACIFDSA-N 3033767 BRD-A38706605-001-01-2 dromostanolone-propionate 0 99.15 ANpharma AN-45527 2-methyl-3-oxoandrostan-17-yl propionate 360.266 "CCC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@@]12C |&1:5,&2:8,&3:9,&4:12,&5:16,&6:19,&7:21,&8:24,r|" NOTIQUSPUUHHEH-QOMQUSCHSA-N BRD-K05524748-001-05-9 dronedarone 0 98.57 MedChemEx HY-A0016 Dronedarone 556.297 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12 ZQTNQVWKHCQYLQ-UHFFFAOYSA-N 208898 BRD-K05524748-003-04-4 dronedarone 0 98.4 Selleck S2114 Dronedarone HCl 556.297 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12 ZQTNQVWKHCQYLQ-UHFFFAOYSA-N 208898 BRD-K97158071-001-19-9 droperidol 0 91.45 Tocris 5858 Droperidol 379.17 Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| RMEDXOLNCUSCGS-UHFFFAOYSA-N 3168 BRD-K97158071-001-18-1 droperidol 0 94.72 MicroSource 1501002 DROPERIDOL 379.17 Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| RMEDXOLNCUSCGS-UHFFFAOYSA-N 3168 BRD-K97158071-001-17-3 droperidol 0 91.46 Selleck S4096 Droperidol 379.17 Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| RMEDXOLNCUSCGS-UHFFFAOYSA-N 3168 BRD-A29349577-001-23-0 dropropizine 0 90.5 MicroSource 1501004 DROPROPIZINE 236.152 "OC[C@@H](O)CN1CCN(CC1)c1ccccc1 |&1:2,r|" PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-A29349577-001-22-2 dropropizine 0 89.09 Selleck S4138 Dropropizine 236.152 "OC[C@@H](O)CN1CCN(CC1)c1ccccc1 |&1:2,r|" PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-A29349577-001-25-9 dropropizine 0 95.89 MedChemEx HY-B1032 Dropropizine 236.152 "OC[C@@H](O)CN1CCN(CC1)c1ccccc1 |&1:2,r|" PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-A29349577-001-24-8 dropropizine 0 95.27 Selleck S4138 Dropropizine 236.152 "OC[C@@H](O)CN1CCN(CC1)c1ccccc1 |&1:2,r|" PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-K04394237-001-04-5 drospirenone 0 97.89 Selleck S1377 Drospirenone 366.219 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:10| METQSPRSQINEEU-HXCATZOESA-N 68873 BRD-K04394237-001-06-0 drospirenone 0 98.46 MicroSource 1503831 DROSPIRENONE 366.219 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:10| METQSPRSQINEEU-HXCATZOESA-N 68873 BRD-A00938334-001-01-3 BRD-K04394237-001-03-7 drospirenone 0 99.66 Selleck S1377 Drospirenone 366.219 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:10| METQSPRSQINEEU-HXCATZOESA-N 68873 BRD-K04394237-001-05-2 drospirenone 0 86.58 Selleck S1377 Drospirenone 366.219 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:10| METQSPRSQINEEU-HXCATZOESA-N 68873 BRD-K70875526-001-01-8 BRD-K00633793-003-03-4 drotaverine 0 84.01 Enamine EN300-260709 "(1E)-1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride" 397.225 CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc23)cc1OCC |t:8| NCVXEYAKRVJMTQ-UHFFFAOYSA-N 13492 BRD-K00633793-001-01-2 drotaverine 0 88.7 Vitas-M STK301594 397.225 CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc23)cc1OCC |t:8| NCVXEYAKRVJMTQ-UHFFFAOYSA-N 13492 BRD-K17219082-001-02-9 droxicam 0 0 Sigma MFCD00866032 "5-methyl-3-(2-pyridinyl)-2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide" 357.042 CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O OEHFRZLKGRKFAS-UHFFFAOYSA-N 65679 BRD-K17219082-001-01-1 droxicam 0 0 Ark AK129765 357.042 CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O OEHFRZLKGRKFAS-UHFFFAOYSA-N 65679 BRD-K20372197-001-04-9 droxidopa 0 100 MedChemEx HY-13458 Droxidopa 213.064 N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O QXWYKJLNLSIPIN-JGVFFNPUSA-N 92974 BRD-K20372197-001-02-3 droxidopa 0 0 Selleck S3041 Droxidopa (L-DOPS) 213.064 N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O QXWYKJLNLSIPIN-JGVFFNPUSA-N 92974 BRD-K20372197-001-03-1 droxidopa 0 100 Selleck S3041 Droxidopa (L-DOPS) 213.064 N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O QXWYKJLNLSIPIN-JGVFFNPUSA-N 92974 BRD-K11558771-001-13-9 droxinostat 0 90.4 Selleck S1422 Droxinostat 243.066 Cc1cc(Cl)ccc1OCCCC(=O)NO JHSXDAWGLCZYSM-UHFFFAOYSA-N 568416 BRD-K09619578-001-02-1 DS2-(806622) 0 87.43 Tocris 3679 DS2 353.039 Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1 AZKMWHRDICVYEI-UHFFFAOYSA-N 979718 BRD-K09619578-001-01-3 DS2-(806622) 0 89.78 Tocris 3679 DS2 353.039 Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1 AZKMWHRDICVYEI-UHFFFAOYSA-N 979718 BRD-K09619578-001-03-9 DS2-(806622) 0 90.61 Tocris 3679 DS2 353.039 Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1 AZKMWHRDICVYEI-UHFFFAOYSA-N 979718 BRD-K35498911-001-02-9 DSM265 0 97.71 MedChemEx HY-100184 DSM265 415.07 Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F OIZSVTOIBNSVOS-UHFFFAOYSA-N 51347395 BRD-K00004570-001-01-9 DSPC 0 0 ChemImpex 10927 "1,2-Distearoyl-rac-glycero-3-phosphocholine" 790.633 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC |&1:21,r|" NRJAVPSFFCBXDT-WBCKFURZSA-O 5313335 BRD-K46384285-001-02-9 DSR-6434 0 95.77 Tocris 4809 DSR 6434 400.234 CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1 SSZHESNDOMBSRV-UHFFFAOYSA-N 25071151 BRD-K46384285-001-01-3 DSR-6434 0 90.78 Tocris 4809 DSR 6434 400.234 CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1 SSZHESNDOMBSRV-UHFFFAOYSA-N 25071151 BRD-K08859203-001-01-9 DU-728 0 100 MedChemEx HY-12290 Arg-Gly-Asp-Ser 433.192 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O NNRFRJQMBSBXGO-CIUDSAMLSA-N 107775 BRD-K08859203-001-02-9 DU-728 0 99.1 MedChemEx HY-12290 Arg-Gly-Asp-Ser 433.192 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O NNRFRJQMBSBXGO-CIUDSAMLSA-N 107775 BRD-K71103788-003-13-8 duloxetine 0 98.43 Tocris 4798 (S)-Duloxetine hydrochloride 297.119 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 ZEUITGRIYCTCEM-KRWDZBQOSA-N 60835 BRD-K71103788-003-12-0 duloxetine 0 98.4 MicroSource 1505387 DULOXETINE HYDROCHLORIDE 297.119 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 ZEUITGRIYCTCEM-KRWDZBQOSA-N 60835 BRD-K71103788-003-11-2 duloxetine 0 98.66 Selleck S2084 Duloxetine HCl 297.119 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 ZEUITGRIYCTCEM-KRWDZBQOSA-N 60835 BRD-K06221026-001-07-6 DUP-697 0 97.02 Tocris 1430 DuP 697 409.945 CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 AJFTZWGGHJXZOB-UHFFFAOYSA-N 3177 BRD-K06221026-001-08-9 DUP-697 0 94.71 Tocris 1430 DuP 697 409.945 CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 AJFTZWGGHJXZOB-UHFFFAOYSA-N 3177 BRD-K06221026-001-06-8 DUP-697 0 92.68 Tocris 1430 DuP 697 409.945 CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 AJFTZWGGHJXZOB-UHFFFAOYSA-N 3177 BRD-K30373883-001-03-9 dutasteride 0 97.49 MedChemEx HY-13613 Dutasteride 528.221 C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |c:12| JWJOTENAMICLJG-QWBYCMEYSA-N 6918296 BRD-K30373883-001-02-8 dutasteride 0 97.58 Selleck S1202 Dutasteride 528.221 C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |c:12| JWJOTENAMICLJG-QWBYCMEYSA-N 6918296 BRD-K28984613-001-01-5 BRD-K93468883-001-02-0 duvelisib 0 95.49 Selleck S7028 IPI-145 (INK1197) 416.115 C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 SJVQHLPISAIATJ-ZDUSSCGKSA-N 50905713 BRD-K93468883-001-05-9 duvelisib 0 98.68 MedChemEx HY-17044 Duvelisib 416.115 C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 SJVQHLPISAIATJ-ZDUSSCGKSA-N 50905713 BRD-K22520627-001-01-7 DVD-111 0 99.45 MedChemEx HY-17456 Noopept 318.158 CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 PJNSMUBMSNAEEN-AWEZNQCLSA-N 180496 BRD-K22520627-001-02-9 DVD-111 0 93.54 MedChemEx HY-17456 Omberacetam 318.158 CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 PJNSMUBMSNAEEN-AWEZNQCLSA-N 180496 BRD-K00003171-001-01-9 DWK-1339 0 95.08 MedChemEx HY-14503 DWK-1339 326.152 COCCCc1ccc2oc(cc2c1)-c1ccc(OC)c(OC)c1 CUEPJIGXQLIOIK-UHFFFAOYSA-N 24764491 BRD-K58343622-001-02-4 DY131 0 79.07 Tocris 2266 DY131 311.163 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1 WLKOCYWYAWBGKY-CPNJWEJPSA-N 5497124 BRD-K58343622-001-01-6 DY131 0 88.82 Tocris 2266 DY131 311.163 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1 WLKOCYWYAWBGKY-CPNJWEJPSA-N 5497124 BRD-K58343622-001-03-9 DY131 0 83.02 Tocris 2266 DY131 311.163 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1 WLKOCYWYAWBGKY-CPNJWEJPSA-N 5497124 BRD-K72259270-003-27-2 dyclonine 0 79.73 MedChemEx HY-B0364A Dyclonine (hydrochloride) 289.204 CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 BZEWSEKUUPWQDQ-UHFFFAOYSA-N 3180 BRD-K72259270-003-24-9 dyclonine 0 61.31 MicroSource 1500268 DYCLONINE HYDROCHLORIDE 289.204 CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 BZEWSEKUUPWQDQ-UHFFFAOYSA-N 3180 BRD-K72259270-003-25-6 dyclonine 0 93.29 Selleck S2041 Dyclonine hydrochloride 289.204 CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 BZEWSEKUUPWQDQ-UHFFFAOYSA-N 3180 BRD-K72259270-003-23-1 dyclonine 0 72.66 Selleck S2041 Dyclonine HCl 289.204 CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 BZEWSEKUUPWQDQ-UHFFFAOYSA-N 3180 BRD-K72259270-003-26-4 dyclonine 0 72.43 MedChemEx HY-B0364A Dyclonine (hydrochloride) 289.204 CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 BZEWSEKUUPWQDQ-UHFFFAOYSA-N 3180 BRD-K68620903-001-11-4 dydrogesterone 0 98.97 MicroSource 1505535 DYDROGESTERONE 312.209 "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C |c:8,t:10|" JGMOKGBVKVMRFX-HQZYFCCVSA-N 9051 BRD-A86597857-001-01-1 BRD-K68620903-001-12-9 dydrogesterone 0 100 MedChemEx HY-B0257A Dydrogesterone 312.209 "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C |c:8,t:10|" JGMOKGBVKVMRFX-HQZYFCCVSA-N 9051 BRD-K68620903-001-10-6 dydrogesterone 0 0 Selleck S4097 Dydrogesterone 312.209 "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C |c:8,t:10|" JGMOKGBVKVMRFX-HQZYFCCVSA-N 9051 BRD-K27038879-001-01-0 BRD-K68620903-001-09-8 dydrogesterone 0 0 Selleck S4097 Dydrogesterone 312.209 "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C |c:8,t:10|" JGMOKGBVKVMRFX-HQZYFCCVSA-N 9051 BRD-K87718015-001-04-9 dynasore 0 76.38 Tocris 2897 Dynasore 322.095 Oc1ccc(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O SYNDQCRDGGCQRZ-VXLYETTFSA-N 135533054 BRD-K87718015-001-01-9 dynasore 0 57.82 Selleck S8047 Dynasore 322.095 Oc1ccc(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O SYNDQCRDGGCQRZ-VXLYETTFSA-N 135533054 BRD-K87718015-001-02-7 dynasore 0 89.1 Selleck S8047 Dynasore 322.095 Oc1ccc(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O SYNDQCRDGGCQRZ-VXLYETTFSA-N 135533054 BRD-K23479488-001-01-3 dynole-34-2 0 45.25 Tocris 4222 Dynole 34-2 408.289 CCCCCCCCNC(=O)C(=C\c1cn(CCCN(C)C)c2ccccc12)\C#N MYIMRONQBLZJFI-DYTRJAOYSA-N 44157463 BRD-K23479488-001-02-9 dynole-34-2 0 92.06 Tocris 4222 Dynole 34-2 408.289 CCCCCCCCNC(=O)C(=C\c1cn(CCCN(C)C)c2ccccc12)\C#N MYIMRONQBLZJFI-DYTRJAOYSA-N 44157463 BRD-A00827783-001-24-6 dyphylline 0 99.68 MicroSource 1500269 DYPHYLLINE 254.102 "Cn1c2ncn(C[C@@H](O)CO)c2c(=O)n(C)c1=O |&1:7,r|" KSCFJBIXMNOVSH-ZCFIWIBFSA-N 688353 BRD-A00827783-001-23-8 dyphylline 0 97.44 Selleck S1504 Dyphylline 254.102 "Cn1c2ncn(C[C@@H](O)CO)c2c(=O)n(C)c1=O |&1:7,r|" KSCFJBIXMNOVSH-ZCFIWIBFSA-N 688353 BRD-A00827783-001-25-9 dyphylline 0 96.86 MedChemEx HY-B0128 Diphylline 254.102 "Cn1c2ncn(C[C@@H](O)CO)c2c(=O)n(C)c1=O |&1:7,r|" KSCFJBIXMNOVSH-ZCFIWIBFSA-N 688353 BRD-K00004561-001-01-9 E-2001 0 31.37 Sigma MFCD28047721 2-[4-(4-fluorobenzoyl)-1-piperidyl]-1-naphthalen-2-yl-ethanone 375.163 Fc1ccc(cc1)C(=O)C1CCN(CC(=O)c2ccc3ccccc3c2)CC1 WPFPDSUMDURRRW-UHFFFAOYSA-N 129687 BRD-K50564936-001-02-9 E-2012 0 91.68 MedChemEx HY-10016 E 2012 419.201 COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 PUOAETJYKQITMO-LANLRWRYSA-N 11560787 BRD-K50564936-001-01-6 E-2012 0 90.8 MedChemEx HY-10016 E 2012 419.201 COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 PUOAETJYKQITMO-LANLRWRYSA-N 11560787 BRD-K41713976-300-03-4 E-4031 0 92.7 Tocris 1808 E-4031 dihydrochloride 401.177 Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 SRUISGSHWFJION-UHFFFAOYSA-N 3185 BRD-K41713976-300-06-9 E-4031 0 92.15 Tocris 1808 E-4031 dihydrochloride 401.177 Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 SRUISGSHWFJION-UHFFFAOYSA-N 3185 BRD-K41713976-300-02-6 E-4031 0 96.27 Tocris 1808 E-4031 dihydrochloride 401.177 Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 SRUISGSHWFJION-UHFFFAOYSA-N 3185 BRD-K00004314-001-01-9 E-64 0 83.7 Tocris 5208 E 64 357.201 CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCNC(N)=N LTLYEAJONXGNFG-DCAQKATOSA-N 123985 BRD-K00004649-001-01-9 E3330 0 79.51 Sigma E8534 "(2E)-3-(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-nonyl-2-propenoic acid" 378.204 "CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |c:11,t:18|" AALSSIXXBDPENJ-FYWRMAATSA-N 6439397 BRD-K00003449-001-01-9 E7046 0 97.54 MedChemEx HY-103088 E7046 483.122 C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O MKLKAQMPKHNQPR-NSHDSACASA-N 56944705 BRD-K05444225-001-03-3 E7449 0 94.48 MedChemEx HY-12418 E7449 317.128 O=c1[nH][nH]c2nc(CN3Cc4ccccc4C3)nc3cccc1c23 JLFSBHQQXIAQEC-UHFFFAOYSA-N 135565981 BRD-K05444225-001-02-5 E7449 0 83.95 MedChemEx HY-12418 E7449 317.128 O=c1[nH][nH]c2nc(CN3Cc4ccccc4C3)nc3cccc1c23 JLFSBHQQXIAQEC-UHFFFAOYSA-N 135565981 BRD-K05444225-001-01-7 E7449 0 45.71 MedChemEx HY-12418 E7449 317.128 O=c1[nH][nH]c2nc(CN3Cc4ccccc4C3)nc3cccc1c23 JLFSBHQQXIAQEC-UHFFFAOYSA-N 135565981 BRD-K00003172-001-01-9 E7820 0 97.34 MedChemEx HY-14571 E7820 336.068 Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c2[nH]cc(C#N)c12 LWGUASZLXHYWIV-UHFFFAOYSA-N 196970 BRD-K53030960-001-02-9 eact 0 97.95 Tocris 4876 Eact 428.141 COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(cs1)-c1ccccc1 ZUXNHFFVQWADJL-UHFFFAOYSA-N 3173542 BRD-K53030960-001-01-4 eact 0 96.51 Tocris 4876 Eact 428.141 COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(cs1)-c1ccccc1 ZUXNHFFVQWADJL-UHFFFAOYSA-N 3173542 BRD-K66998413-300-01-6 EB-47 0 95.65 Tocris 4140 EB 47 537.208 Nc1ncnc2n(cnc12)[C@H]1O[C@H]([C@H](O)[C@@H]1O)C(=O)N1CCN(CC(=O)Nc2cccc3C(=O)NCc23)CC1 DDFLFKTXUWPNMV-LFALDJFMSA-N 53229989 BRD-K66998413-300-02-9 EB-47 0 96.22 Tocris 4140 EB 47 537.208 Nc1ncnc2n(cnc12)[C@H]1O[C@H]([C@H](O)[C@@H]1O)C(=O)N1CCN(CC(=O)Nc2cccc3C(=O)NCc23)CC1 DDFLFKTXUWPNMV-LFALDJFMSA-N 53229989 BRD-K13314656-001-02-9 ebastine 0 97.98 MedChemEx HY-B0674 Ebastine 469.298 CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1 MJJALKDDGIKVBE-UHFFFAOYSA-N 3191 BRD-K13314656-001-01-0 ebastine 0 92.12 Selleck S4262 Ebastine 469.298 CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1 MJJALKDDGIKVBE-UHFFFAOYSA-N 3191 BRD-K00004209-001-01-9 EBPC 0 90.37 Tocris 518 EBPC 261.1 "CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1=O |&1:5,r|" FQMSSTZJKSWSMP-LLVKDONJSA-N 6919079 BRD-K22421059-001-03-1 ebrotidine 0 78.38 MedChemEx HY-15538 Ebrotidine 475.976 NC(=N)Nc1nc(CSCCN\C=N\S(=O)(=O)c2ccc(Br)cc2)cs1 ZQHFZHPUZXNPMF-UHFFFAOYSA-N 65869 BRD-K22421059-001-02-3 ebrotidine 0 83.9 MedChemEx HY-15538 Ebrotidine 475.976 NC(=N)Nc1nc(CSCCN\C=N\S(=O)(=O)c2ccc(Br)cc2)cs1 ZQHFZHPUZXNPMF-UHFFFAOYSA-N 65869 BRD-K22421059-001-01-5 ebrotidine 0 65.02 MedChemEx HY-15538 Ebrotidine 475.976 NC(=N)Nc1nc(CSCCN\C=N\S(=O)(=O)c2ccc(Br)cc2)cs1 ZQHFZHPUZXNPMF-UHFFFAOYSA-N 65869 BRD-K29359156-001-30-1 ebselen 0 93.11 MicroSource 1501188 EBSELEN 274.985 O=c1n([se]c2ccccc12)-c1ccccc1 DYEFUKCXAQOFHX-UHFFFAOYSA-N 3194 BRD-K41705163-001-02-9 EC-144 0 94.11 Tocris 4701 EC 144 413.162 COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C VOASEWXFCTZRDF-UHFFFAOYSA-N 11517212 BRD-K41705163-001-01-1 EC-144 0 96.8 Tocris 4701 EC 144 413.162 COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C VOASEWXFCTZRDF-UHFFFAOYSA-N 11517212 BRD-K81004638-001-01-7 EC-23 0 98.05 Sigma MFCD18086921 "4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethynyl]benzoic acid" 332.178 CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O OQVLOWLEEHYBJH-UHFFFAOYSA-N 10314719 BRD-K81004638-001-02-5 EC-23 0 97.56 Tocris 4011 EC 23 332.178 CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O OQVLOWLEEHYBJH-UHFFFAOYSA-N 10314719 BRD-K47371940-001-01-6 ecabapide 0 87.95 Enamine Z52799962 371.185 CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1 JTAGHJPZEDNHHA-UHFFFAOYSA-N 65885 BRD-K03353589-236-01-4 ecabet 0 98.28 OxChem AX8127117 380.166 CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1S(O)(=O)=O)C(O)=O IWCWQNVIUXZOMJ-MISYRCLQSA-N 65781 BRD-A60635434-001-01-1 ecamsule-triethanolamine 0 77.09 Sigma 55901-25MG "[rac-(1R,3E,4R)-7,7-dimethyl-2-oxo-3-[[4-[rac-(E)-[rac-(1R,4R)-7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-ylidene]methyl]phenyl]methylene]norbornan-1-yl]methanesulfonic acid" 562.17 "CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2=Cc1ccc(C=C2[C@@H]3CC[C@](CS(O)(=O)=O)(C2=O)C3(C)C)cc1 |&1:3,6,&2:22,25,r|" HEAHZSUCFKFERC-MPPVQRIUSA-N 131634633 BRD-K00010937-001-01-9 echinomycin 0 96.61 Tocris 5520 echinomycin 1100.421 "[H][C@]1(COC(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@]2([H])N(C)C(=O)[C@H](C)NC(=O)[C@@]([H])(COC(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@]([H])(CS[C@]2([H])SC)N(C)C(=O)[C@H](C)NC1=O)NC(=O)c1cnc2ccccc2n1)NC(=O)c1cnc2ccccc2n1 |&1:45,@:8,34|" AUJXLBOHYWTPFV-DYWXRLDNSA-N BRD-A51820102-008-28-9 econazole 0 99.93 MicroSource 1501185 ECONAZOLE NITRATE 380.025 Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| LEZWWPYKPKIXLL-SFHVURJKSA-N 6604378 BRD-A51820102-008-29-9 econazole 0 97.92 MedChemEx HY-B0453 Econazole (nitrate) 380.025 Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| LEZWWPYKPKIXLL-SFHVURJKSA-N 6604378 BRD-A51820102-008-27-1 econazole 0 98.03 Selleck S2535 Econazole nitrate 380.025 Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| LEZWWPYKPKIXLL-SFHVURJKSA-N 6604378 BRD-K34566599-001-03-9 ectoine 0 100 Sigma 81619 "(4S)-2-methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid" 142.074 CC1=NCC[C@H](N1)C(O)=O |t:1| WQXNXVUDBPYKBA-YFKPBYRVSA-N 6993223 BRD-K34566599-001-02-8 ectoine 0 98.7 Sigma MFCD03419286 "(4S)-2-methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid" 142.074 CC1=NCC[C@H](N1)C(O)=O |t:1| WQXNXVUDBPYKBA-YFKPBYRVSA-N 6993223 BRD-K00004306-001-01-9 edaglitazone 0 97.51 Tocris 4784 Edaglitazone 464.086 "Cc1oc(nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)c2sccc12)-c1ccccc1 |&1:14,r|" HAAXAFNSRADSMK-FQEVSTJZSA-N 76961439 BRD-K35458079-001-34-9 edaravone 0 19.81 MedChemEx HY-B0099 Edaravone 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-33-1 edaravone 0 65.37 MedChemEx HY-B0099 Edaravone 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-29-9 edaravone 0 64.17 MicroSource 1503635 EDARAVONE 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-35-6 edaravone 0 26.35 Sigma Y0001138 "5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-31-5 edaravone 0 0 Selleck S1326 Edaravone (MCI-186) 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-28-1 edaravone 0 5.75 Tocris 786 Edaravone 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K35458079-001-27-3 edaravone 0 38.22 Selleck S1326 Edaravone 174.079 Cc1cc(=O)n([nH]1)-c1ccccc1 KZQYIMCESJLPQH-UHFFFAOYSA-N 70335 BRD-K00003258-001-01-9 edasalonexent 0 0 MedChemEx HY-17630 Edasalonexent 490.32 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCNC(=O)c1ccccc1O JQLBBYLGWHUHRW-KUBAVDMBSA-N 44626120 BRD-K01825687-001-02-9 edelfosine 0 100 Cayman 60912 (R)-2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate 524.408 "CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC |a:20,&1:23|" MHFRGQHAERHWKZ-HHHXNRCGSA-O 6610230 BRD-K01825687-001-01-9 edelfosine 0 0 Enzo L108 1-Octadecyl-2-methylglycero-3 PC 524.408 "CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC |a:20,&1:23|" MHFRGQHAERHWKZ-HHHXNRCGSA-O 6610230 BRD-A78588743-001-03-4 editol 0 91.55 MicroSource 1301023 EDITOL 292.236 "C[C@@H](O)CN(CCN(C[C@@H](C)O)C[C@@H](C)O)C[C@@H](C)O |&1:1,&2:9,&3:13,&4:17,r|" NSOXQYCFHDMMGV-AAVRWANBSA-N 7014872 BRD-A78588743-001-04-9 editol 0 100 MedChemEx HY-B2149 Quadrol 292.236 "C[C@@H](O)CN(CCN(C[C@@H](C)O)C[C@@H](C)O)C[C@@H](C)O |&1:1,&2:9,&3:13,&4:17,r|" NSOXQYCFHDMMGV-AAVRWANBSA-N 7014872 BRD-K00003432-001-01-9 EDO-S101 0 55.12 MedChemEx HY-101780 EDO-S101 414.159 Cn1c(CCCCCCC(=O)NO)nc2cc(ccc12)N(CCCl)CCCl GISXTRIGVCKQBX-UHFFFAOYSA-N 46836227 BRD-K00003259-050-01-9 edonerpic-maleate 0 94.04 MedChemEx HY-17631A Edonerpic maleate 291.129 OC1CN(CCCOCCc2ccc3sccc3c2)C1 HQNACSFBDBYLJP-UHFFFAOYSA-N 9901946 BRD-K97058489-454-01-6 edoxaban 0 89.81 Selleck S7280 Edoxaban 547.177 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 HGVDHZBSSITLCT-JLJPHGGASA-N 10280735 BRD-K86892782-001-18-9 edoxudine 0 94.25 MedChemEx HY-B1011 Edoxudine 256.106 CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O XACKNLSZYYIACO-DJLDLDEBSA-N 66377 BRD-K86892782-001-17-0 edoxudine 0 98.02 MicroSource 1503214 EDOXUDINE 256.106 CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O XACKNLSZYYIACO-DJLDLDEBSA-N 66377 BRD-A62505706-001-04-9 BRD-K81128206-003-25-9 edrophonium 0 95.49 MedChemEx HY-B0882 Edrophonium (chloride) 166.123 CC[N+](C)(C)c1cccc(O)c1 VWLHWLSRQJQWRG-UHFFFAOYSA-O 3202 BRD-K81128206-003-24-4 edrophonium 0 98.99 MicroSource 2300219 EDROPHONIUM CHLORIDE 166.123 CC[N+](C)(C)c1cccc(O)c1 VWLHWLSRQJQWRG-UHFFFAOYSA-O 3202 BRD-K54542929-001-02-9 EDTMP 0 0 Vitas-M STK368766 "[ethane-1,2-diylbis(nitrilodimethanediyl)]tetrakis(phosphonic acid)" 435.997 OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)(O)=O NFDRPXJGHKJRLJ-UHFFFAOYSA-N 15025 BRD-K54542929-001-01-7 EDTMP 0 0 Vitas-M STK368766 435.997 OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)(O)=O NFDRPXJGHKJRLJ-UHFFFAOYSA-N 15025 BRD-K19002914-001-01-3 EED226 0 96.75 MedChemEx HY-101117 EED226 369.09 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 DYIRSNMPIZZNBK-UHFFFAOYSA-N 123132228 BRD-K00004643-001-01-9 EF5 0 100 Sigma SML1961 "2-(2-nitro-1H-imidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide" 302.044 [O-][N+](=O)c1nccn1CC(=O)NCC(F)(F)C(F)(F)F JGGDSDPOPRWSCX-UHFFFAOYSA-N 389053 BRD-K37355418-001-02-9 efaproxiral 0 97.48 MedChemEx HY-13619 Efaproxiral 341.163 Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1 BNFRJXLZYUTIII-UHFFFAOYSA-N 122335 BRD-K37355418-236-01-6 efaproxiral 0 97.94 Selleck S4263 Efaproxiral Sodium 341.163 Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1 BNFRJXLZYUTIII-UHFFFAOYSA-N 122335 BRD-A10739734-003-10-6 efaroxan 0 98.28 MicroSource 2300218 EFAROXAN HYDROCHLORIDE 216.126 CCC1(Cc2ccccc2O1)C1=NCCN1 RATZLMXRALDSJW-UHFFFAOYSA-N 11957548 BRD-A10739734-003-09-8 efaroxan 0 96.93 Tocris 792 Efaroxan hydrochloride 216.126 CCC1(Cc2ccccc2O1)C1=NCCN1 RATZLMXRALDSJW-UHFFFAOYSA-N 11957548 BRD-A24560335-300-02-9 efatutazone 0 96.26 MedChemEx HY-14792B Inolitazone (dihydrochloride) 502.167 Cc1cc(Oc2ccc3nc(COc4ccc(C[C@H]5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N |r| JCYNMRJCUYVDBC-HSZRJFAPSA-N 76962475 BRD-A24560335-300-01-2 efatutazone 0 95.58 MedChemEx HY-14792B Inolitazone (dihydrochloride) 502.167 Cc1cc(Oc2ccc3nc(COc4ccc(C[C@H]5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N |r| JCYNMRJCUYVDBC-HSZRJFAPSA-N 76962475 BRD-K40758068-001-10-9 efavirenz 0 91.94 MedChemEx HY-10572 Efavirenz 315.027 FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 XPOQHMRABVBWPR-ZDUSSCGKSA-N 64139 BRD-K40758068-001-08-2 efavirenz 0 98.9 Enzo DL535 Efavirenz 315.027 FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 XPOQHMRABVBWPR-ZDUSSCGKSA-N 64139 BRD-A30774155-001-01-2 efinaconazole 0 92.45 MedChemEx HY-15660 Efinaconazole 348.176 "C[C@@H](N1CCC(=C)CC1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F |a:1,&1:9|" NFEZZTICAUWDHU-KDOFPFPSSA-N 9819704 BRD-K00004551-001-01-9 efletirizine 0 100 Sigma MFCD00868363 (2-{4-[bis(4-fluorophenyl)methyl]-1-piperazinyl}ethoxy)acetic acid 390.175 OC(=O)COCCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 BAWMMJAUVBLLEE-UHFFFAOYSA-N 66003 BRD-A96292436-003-16-1 eflornithine 0 100 Enzo AC3107 EFLORNITHINE HYDROCHLORIDE 182.087 NCCCC(N)(C(F)F)C(O)=O |&1:4| VLCYCQAOQCDTCN-UHFFFAOYSA-N 3009 BRD-K55166090-001-09-0 efloxate 0 97.67 MicroSource 1504518 EFLOXATE 324.1 CCOC(=O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1 ZVXBAHLOGZCFTP-UHFFFAOYSA-N 8395 BRD-K00004292-003-02-9 efonidipine 0 97.16 MedChemEx HY-12502A Efonidipine hydrochloride monoethanolate 631.245 "CC1=C([C@@H](C(=C(C)N1)P1(=O)OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1 |&1:3,r,t:1,4|" NSVFSAJIGAJDMR-HKBQPEDESA-N 11764616 BRD-K00004292-003-01-9 efonidipine 0 91.75 Tocris 3733 Efonidipine hydrochloride monoethanolate 631.245 "CC1=C([C@@H](C(=C(C)N1)P1(=O)OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1 |&1:3,r,t:1,4|" NSVFSAJIGAJDMR-HKBQPEDESA-N 11764616 BRD-K50653584-019-01-4 EG00229 0 94.54 MedChemEx HY-10799 EG00229 497.061 NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(O)=O ZWWMEDURALZMEV-NSHDSACASA-N 44631827 BRD-K50653584-001-01-2 EG00229 0 96.86 Tocris 4931 EG 00229 497.061 NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(O)=O ZWWMEDURALZMEV-NSHDSACASA-N 44631827 BRD-K22514639-001-05-7 EGF816 0 92.84 MedChemEx HY-12872 EGF816 494.22 CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 IOMMMLWIABWRKL-WUTDNEBXSA-N 72703790 BRD-K22514639-001-04-0 EGF816 0 87.44 MedChemEx HY-12872 EGF816 494.22 CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 IOMMMLWIABWRKL-WUTDNEBXSA-N 72703790 BRD-K65359424-001-02-1 eglumetad 0 100 MedChemEx HY-18941 LY354740 185.069 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O VTAARTQTOOYTES-RGDLXGNYSA-N 213056 BRD-K65359424-001-01-3 eglumetad 0 69.68 EMDBio 504685-10MG LY 354740 185.069 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O VTAARTQTOOYTES-RGDLXGNYSA-N 213056 BRD-K32289541-001-01-0 EHop-016 0 93.91 Selleck S7319 EHop-016 430.248 CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 AFTZZRFCMOAFCR-UHFFFAOYSA-N 51031035 BRD-K32289541-001-02-8 EHop-016 0 Selleck S7319 EHop-016 430.248 CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 "InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)" 51031035 BRD-K91535048-001-01-2 EI1 0 93.04 MedChemEx HY-15573 EI1 390.206 CCC(CC)n1ccc2c(cc(cc12)C#N)C(=O)NCc1c(C)cc(C)[nH]c1=O PFHDWRIVDDIFRP-UHFFFAOYSA-N 72199293 BRD-K88120876-001-09-8 EIPA 0 65.7 Tocris 3378 EIPA 299.126 CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)N=C(N)N QDERNBXNXJCIQK-UHFFFAOYSA-N 1795 BRD-K88120876-001-10-9 EIPA 0 93.61 Tocris 3378 EIPA 299.126 CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)N=C(N)N QDERNBXNXJCIQK-UHFFFAOYSA-N 1795 BRD-K81623406-004-09-9 EIT-hydrobromide 0 93.66 Tocris 873 EIT hydrobromide 104.041 CCSC(N)=N VFIZBHJTOHUOEK-UHFFFAOYSA-N 5139 BRD-K81623406-004-08-3 EIT-hydrobromide 0 90.43 Tocris 873 EIT hydrobromide 104.041 CCSC(N)=N VFIZBHJTOHUOEK-UHFFFAOYSA-N 5139 BRD-K00003295-300-01-9 elacestrant 0 97.32 MedChemEx HY-19822A Elacestrant (dihydrochloride) 458.293 CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1 SIFNOOUKXBRGGB-AREMUKBSSA-N 23642301 BRD-K88807631-001-03-9 elacridar 0 90.69 MedChemEx HY-50879 Elacridar 563.242 COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC OSFCMRGOZNQUSW-UHFFFAOYSA-N 119373 BRD-K88807631-001-02-1 elacridar 0 70.94 Selleck S7772 elacridar 563.242 COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC OSFCMRGOZNQUSW-UHFFFAOYSA-N 119373 BRD-K88807631-001-01-3 elacridar 0 94.19 MedChemEx HY-50879 Elacridar 563.242 COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC OSFCMRGOZNQUSW-UHFFFAOYSA-N 119373 BRD-K63876426-001-01-6 elactocin 0 EMDBio 431050-5UG "InSolution Leptomycin B, Streptomyces sp." 540.345 CC\C(\C=C\[C@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C\C(C)=C\C(O)=O |c:9| YACHGFWEQXFSBS-ZNDZZNGASA-N 16760536 BRD-K00004609-001-01-9 elacytarabine 0 93.33 MedChemEx HY-14941 Elacytarabine 507.331 CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O FLFGNMFWNBOBGE-FNNZEKJRSA-N 6438895 BRD-K03165895-001-01-9 elafibranor 0 92.97 MedChemEx HY-16737 Elafibranor 384.14 CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1 AFLFKFHDSCQHOL-IZZDOVSWSA-N 9864881 BRD-K55808645-001-02-2 elagolix 0 95.19 MedChemEx HY-14789 Elagolix 631.211 COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O HEAUOKZIVMZVQL-VWLOTQADSA-N 11250647 BRD-K55808645-001-01-4 elagolix 0 81.73 MedChemEx HY-14789 Elagolix 631.211 COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O HEAUOKZIVMZVQL-VWLOTQADSA-N 11250647 BRD-K09735259-001-01-3 elbasvir 0 95.63 MedChemEx HY-15789 Elbasvir 881.422 COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc2-c3cc4cc(ccc4n3[C@@H](Oc2c1)c1ccccc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C BVAZQCUMNICBAQ-PZHYSIFUSA-N 71661251 BRD-K00003316-001-01-9 eldecalcitol 0 94.13 MedChemEx HY-A0020 Eldecalcitol 490.366 [H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C FZEXGDDBXLBRTD-AYIMTCTASA-N 6918141 BRD-K00003225-003-01-9 eleclazine 0 98.9 MedChemEx HY-16738A Eleclazine (hydrochloride) 415.114 FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1 YNUAEEJQYHYLMS-UHFFFAOYSA-N 71183216 BRD-K79565391-001-01-8 elemene 0 0 Enamine EN300-179368 204.188 CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@H](C1)C(C)=C OPFTUNCRGUEPRZ-RBSFLKMASA-N 6431152 BRD-K82135108-001-04-3 elesclomol 0 90.81 Selleck S1052 Elesclomol (STA-4783) 400.103 CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 BKJIXTWSNXCKJH-UHFFFAOYSA-N 300471 BRD-K82135108-001-07-9 elesclomol 0 95.47 MedChemEx HY-12040 Elesclomol 400.103 CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 BKJIXTWSNXCKJH-UHFFFAOYSA-N 300471 BRD-K30652337-004-03-9 eletriptan 0 85.32 Tocris 3862 Eletriptan hydrobromide 382.171 CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 PWVXXGRKLHYWKM-LJQANCHMSA-N 77993 BRD-K30652337-001-01-9 eletriptan 0 93.42 MicroSource 1505819 ELETRIPTAN HYDROBROMIDE 382.171 CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 PWVXXGRKLHYWKM-LJQANCHMSA-N 77993 BRD-K30652337-004-01-3 eletriptan 0 92.93 Selleck S3180 Eletriptan HBr 382.171 CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 PWVXXGRKLHYWKM-LJQANCHMSA-N 77993 BRD-K30652337-004-04-9 eletriptan 0 94.9 Tocris 3862 Eletriptan hydrobromide 382.171 CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 PWVXXGRKLHYWKM-LJQANCHMSA-N 77993 BRD-K30652337-004-02-1 eletriptan 0 97.64 Tocris 3862 Eletriptan hydrobromide 382.171 CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 PWVXXGRKLHYWKM-LJQANCHMSA-N 77993 BRD-K86410485-001-01-5 eliglustat 0 89.58 MedChemEx HY-14885 Eliglustat 404.268 CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 FJZZPCZKBUKGGU-AUSIDOKSSA-N 23652731 BRD-K86410485-046-01-0 eliglustat 0 93.73 MedChemEx HY-14885A Eliglustat (hemitartrate) 404.268 CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 FJZZPCZKBUKGGU-AUSIDOKSSA-N 23652731 BRD-M75840137-046-01-1 BRD-K59271229-001-02-3 elinogrel 0 0 Tocris 5316 Elinogrel 523.019 CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F LGSDFTPAICUONK-UHFFFAOYSA-N 16066663 BRD-K59271229-001-01-5 elinogrel 0 13.9 Tocris 5316 "3-{4-[({[(5-chloro-2-thienyl)sulfonyl]amino}carbonyl)amino]phenyl}-6-fluoro-7-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline" 523.019 CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F LGSDFTPAICUONK-UHFFFAOYSA-N 16066663 BRD-A61392169-001-02-7 eliprodil 0 90.15 Tocris 2195 Eliprodil 347.145 "O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |&1:1,r|" GGUSQTSTQSHJAH-FQEVSTJZSA-N 9798372 BRD-A61392169-001-03-9 eliprodil 0 94.59 Tocris 2195 Eliprodil 347.145 "O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |&1:1,r|" GGUSQTSTQSHJAH-FQEVSTJZSA-N 9798372 BRD-K30466858-001-11-9 ellagic-acid 0 95.86 MedChemEx HY-B0183 Ellagic acid 302.006 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O AFSDNFLWKVMVRB-UHFFFAOYSA-N 5281855 BRD-K30466858-001-09-6 ellagic-acid 0 87.79 MicroSource 1502245 ELLAGIC ACID 302.006 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O AFSDNFLWKVMVRB-UHFFFAOYSA-N 5281855 BRD-K30466858-001-10-4 ellagic-acid 0 98.25 Selleck S1327 Ellagic acid 302.006 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O AFSDNFLWKVMVRB-UHFFFAOYSA-N 5281855 BRD-K30466858-001-08-8 ellagic-acid 0 69.46 Selleck S1327 Ellagic acid 302.006 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O AFSDNFLWKVMVRB-UHFFFAOYSA-N 5281855 BRD-K50699835-001-01-2 ELN-441958 0 97.7 MedChemEx HY-15043 ELN-441958 500.198 Clc1cccc2CN(C(=O)c12)c1cccc(c1)C(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1 ARYQHSWJGHCGJS-UHFFFAOYSA-N 11848206 BRD-K00003369-001-01-9 eltanexor 0 88.82 MedChemEx HY-100423A Eltanexor Z-isomer 428.082 NC(=O)C(=C/n1cnc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\c1cncnc1 JFBAVWVBLRIWHM-MLPAPPSSSA-N 117763569 BRD-K30827431-001-01-2 eltanolone 0 97.4 Tocris 3652 Pregnanolone 318.256 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C AURFZBICLPNKBZ-YZRLXODZSA-N 31402 BRD-K86171477-001-01-3 eltoprazine 0 97.53 MedChemEx HY-16687 "1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine" 220.121 C1CN(CCN1)c1cccc2OCCOc12 WVLHGCRWEHCIOT-UHFFFAOYSA-N 65853 BRD-K86171477-001-03-9 eltoprazine 0 96.77 MedChemEx HY-16687 Eltoprazine 220.121 C1CN(CCN1)c1cccc2OCCOc12 WVLHGCRWEHCIOT-UHFFFAOYSA-N 65853 BRD-K86171477-001-02-1 eltoprazine 0 95.95 MedChemEx HY-16687 Eltoprazine 220.121 C1CN(CCN1)c1cccc2OCCOc12 WVLHGCRWEHCIOT-UHFFFAOYSA-N 65853 BRD-K00003572-001-01-9 eltrombopag 0 98.21 MedChemEx HY-15306 Eltrombopag 442.164 CC1=NN(C(=O)\C1=N/Nc1cccc(-c2cccc(c2)C(O)=O)c1O)c1ccc(C)c(C)c1 |t:1| XDXWLKQMMKQXPV-QYQHSDTDSA-N BRD-K39560679-001-01-1 eluxadoline 0 94.62 MedChemEx HY-12247 Eluxadoline 569.264 COc1ccc(CN([C@@H](C)c2nc(c[nH]2)-c2ccccc2)C(=O)[C@@H](N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O QFNHIDANIVGXPE-FNZWTVRRSA-N 130406582 BRD-K54472332-001-03-4 elvitegravir 0 94.69 Selleck S2001 "Elvitegravir (GS-9137, JTK-303)" 447.125 COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C JUZYLCPPVHEVSV-LJQANCHMSA-N 5277135 BRD-K00003516-057-01-9 emamectin 0 1.78 MedChemEx HY-B0837 Emamectin (Benzoate) 871.508 "[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@]([H])(O[C@H]4C[C@H](OC)[C@@]([H])(O[C@H]5C[C@@H](OC)[C@H](NC)[C@@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@@H]4C[C@@H](C[C@]5(O4)O[C@H](C(C)C)[C@@H](C)C=C5)OC(=O)[C@H](C=C(C)[C@H]1O)[C@@]23O |c:4,55,t:6,38,62|" DXIOOXFZLKCVHK-HGIWSLISSA-N 118704765 BRD-K86727142-001-12-4 embelin 0 94.95 Tocris 2156 Embelin 294.183 CCCCCCCCCCCC1C(=O)C(O)=CC(=O)C1=O |c:15| HQWGBIUMYSOPFP-UHFFFAOYSA-N BRD-K86727142-001-16-9 embelin 0 90.9 Tocris 2156 Embelin 294.183 CCCCCCCCCCCC1C(=O)C(O)=CC(=O)C1=O |c:15| HQWGBIUMYSOPFP-UHFFFAOYSA-N BRD-K86727142-001-11-6 embelin 0 85.26 Selleck S7025 Embelin 294.183 CCCCCCCCCCCC1C(=O)C(O)=CC(=O)C1=O |c:15| HQWGBIUMYSOPFP-UHFFFAOYSA-N BRD-K86727142-001-13-2 embelin 0 83.65 Selleck S7025 Embelin 294.183 CCCCCCCCCCCC1C(=O)C(O)=CC(=O)C1=O |c:15| HQWGBIUMYSOPFP-UHFFFAOYSA-N BRD-K97963946-001-01-3 EMD-1214063 0 95.6 MedChemEx HY-14721 EMD-1214063 492.227 CN1CCC(COc2cnc(nc2)-c2cccc(Cn3nc(ccc3=O)-c3cccc(c3)C#N)c2)CC1 AHYMHWXQRWRBKT-UHFFFAOYSA-N 25171648 BRD-K97963946-001-02-9 EMD-1214063 0 92.3 MedChemEx HY-14721 Tepotinib 492.227 CN1CCC(COc2cnc(nc2)-c2cccc(Cn3nc(ccc3=O)-c3cccc(c3)C#N)c2)CC1 AHYMHWXQRWRBKT-UHFFFAOYSA-N 25171648 BRD-K47659338-003-03-6 EMD-386088 0 90.04 Tocris 2382 EMD 386088 hydrochloride 246.092 Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13| BPPGPYJBCVXILI-UHFFFAOYSA-N 10131112 BRD-K47659338-003-02-8 EMD-386088 0 87.97 Tocris 2382 EMD 386088 hydrochloride 246.092 Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13| BPPGPYJBCVXILI-UHFFFAOYSA-N 10131112 BRD-K47659338-003-04-9 EMD-386088 0 95.96 Tocris 2382 EMD 386088 hydrochloride 246.092 Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13| BPPGPYJBCVXILI-UHFFFAOYSA-N 10131112 BRD-A65248799-001-01-7 EMD-53998 0 97.01 EMDBio 530657-10MG "Myosin ATPase Activator, EMD57003" 425.141 "COc1ccc(cc1OC)C(=O)N1CCCc2cc(ccc12)C1=NNC(=O)S[C@@H]1C |r,t:25|" IZLRMTJLQCLMKF-CYBMUJFWSA-N 446286 BRD-K88759641-003-03-6 EMD-66684 0 99.17 Tocris 1849 EMD 66684 510.249 CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 CQVJTTOZTTVVBK-UHFFFAOYSA-N 9892554 BRD-K88759641-003-04-9 EMD-66684 0 97.67 Tocris 1849 EMD 66684 510.249 CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 CQVJTTOZTTVVBK-UHFFFAOYSA-N 9892554 BRD-K88759641-003-02-8 EMD-66684 0 98.66 Tocris 1849 EMD 66684 510.249 CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 CQVJTTOZTTVVBK-UHFFFAOYSA-N 9892554 BRD-K00003185-001-01-9 EMD534085 0 93.34 MedChemEx HY-15000 EMD534085 476.24 [H][C@@]12CC[C@H](CNC(=O)NCCN(C)C)O[C@]1([H])c1cc(ccc1N[C@H]2c1ccccc1)C(F)(F)F MARIUIDCPUZLKZ-FUKQBSRTSA-N 23634407 BRD-K15010214-364-01-9 emedastine 0 79.37 Prestwick Prestw-1274 Emedastine 302.211 CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1 KBUZBQVCBVDWKX-UHFFFAOYSA-N 3219 BRD-K15010214-364-02-7 emedastine 0 86.56 TCI E0936 302.211 CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1 KBUZBQVCBVDWKX-UHFFFAOYSA-N 3219 BRD-K00003226-001-01-9 emeramide 0 29.63 MedChemEx HY-16739 Emeramide 284.065 SCCNC(=O)c1cccc(c1)C(=O)NCCS JUTBAVRYDAKVGQ-UHFFFAOYSA-N 21133161 BRD-K03067624-312-22-9 emetine 0 93.32 MedChemEx HY-B1479B Emetine (dihydrochloride hydrate) 480.299 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 AUVVAXYIELKVAI-CKBKHPSWSA-N 10219 BRD-K03067624-001-02-3 emetine 0 97.59 Selleck S4323 Emetine 480.299 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 AUVVAXYIELKVAI-CKBKHPSWSA-N 10219 BRD-K00003206-001-01-9 emiglitate 0 90.99 MedChemEx HY-16194 Emiglitate 355.163 CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 NWWORXYTJRPSMC-QKPAOTATSA-N 72004 BRD-K00003290-003-01-9 emixustat 0 92.6 MedChemEx HY-19720A Emixustat (hydrochloride) 263.189 NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 WJIGGYYSZBWCGC-MRXNPFEDSA-N 25221720 BRD-K00003414-001-01-9 emodepside 0 95.47 MedChemEx HY-101476 Emodepside 1118.652 [H][C@]1(C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C1=O ZMQMTKVVAMWKNY-CZOLZNPPSA-N 122594832 BRD-K58685305-001-20-4 emodin 0 97.91 Selleck S2295 Emodin 270.053 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 RHMXXJGYXNZAPX-UHFFFAOYSA-N 3220 BRD-K90629600-001-01-4 emorfazone 0 99.42 Sigma PH011085 4-ethoxy-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone 239.127 CCOc1c(cnn(C)c1=O)N1CCOCC1 URJQOOISAKEBKW-UHFFFAOYSA-N 3221 BRD-K28982731-001-01-6 emoxipin 0 95.96 Vitas-M STK037982 137.084 CCc1nc(C)ccc1O JPGDYIGSCHWQCC-UHFFFAOYSA-N 114681 BRD-K53765467-001-02-1 empagliflozin 0 96.18 Selleck S8022 Empagliflozin (BI 10773) 450.145 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 OBWASQILIWPZMG-QZMOQZSNSA-N 11949646 BRD-K53765467-001-03-9 empagliflozin 0 96.99 MedChemEx HY-15409 Empagliflozin 450.145 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 OBWASQILIWPZMG-QZMOQZSNSA-N 11949646 BRD-K00023644-001-01-9 emricasan 0 89.04 Cayman 22204 Emricasan 569.179 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F SCVHJVCATBPIHN-SJCJKPOMSA-N 12000240 BRD-K61452026-001-04-6 emtricitabine 0 96.41 Selleck S1704 Emtricitabine 247.043 Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1 XQSPYNMVSIKCOC-NTSWFWBYSA-N 60877 BRD-K61452026-001-06-9 emtricitabine 0 95.33 MedChemEx HY-17427 Emtricitabine 247.043 Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1 XQSPYNMVSIKCOC-NTSWFWBYSA-N 60877 BRD-K86063171-001-03-7 EN460 0 10.46 MedChemEx HY-12837 EN460 460.044 OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| RSLFQCNAOMQAIH-WJDWOHSUSA-N 1016023 BRD-K86063171-001-02-9 EN460 0 49.85 MedChemEx HY-12837 EN460 460.044 OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| RSLFQCNAOMQAIH-WJDWOHSUSA-N 1016023 BRD-K57545991-050-23-1 enalapril 0 94.83 Selleck S1941 Enalapril Maleate 376.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O GBXSMTUPTTWBMN-XIRDDKMYSA-N 5388962 BRD-K57545991-050-24-9 enalapril 0 83.18 MicroSource 1501214 ENALAPRIL MALEATE 376.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O GBXSMTUPTTWBMN-XIRDDKMYSA-N 5388962 BRD-K57545991-050-25-9 enalapril 0 84.54 MedChemEx HY-B0331A Enalapril (maleate) 376.2 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O GBXSMTUPTTWBMN-XIRDDKMYSA-N 5388962 BRD-K99447003-335-03-3 enalaprilat 0 54.33 MicroSource 1503833 ENALAPRILAT 348.169 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O LZFZMUMEGBBDTC-QEJZJMRPSA-N 5462501 BRD-K99447003-335-05-8 enalaprilat 0 48.56 MedChemEx HY-B0231 Enalaprilat (dihydrate) 348.169 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O LZFZMUMEGBBDTC-QEJZJMRPSA-N 5462501 BRD-K99447003-335-02-5 enalaprilat 0 18.39 Selleck S1657 Enalaprilat Dihydrate 348.169 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O LZFZMUMEGBBDTC-QEJZJMRPSA-N 5462501 BRD-K99447003-335-06-6 enalaprilat 0 80.9 MedChemEx HY-B0231 Enalaprilat (dihydrate) 348.169 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O LZFZMUMEGBBDTC-QEJZJMRPSA-N 5462501 BRD-K99447003-335-04-1 enalaprilat 0 83.84 Selleck S1657 Enalaprilat dihydrate 348.169 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O LZFZMUMEGBBDTC-QEJZJMRPSA-N 5462501 BRD-K70601687-001-01-3 enasidenib 0 97.57 MedChemEx HY-18690 Enasidenib 473.14 CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F DYLUUSLLRIQKOE-UHFFFAOYSA-N 89683805 BRD-K66918327-001-01-3 enbucrilate 0 0 Ark AK162172 butyl 2-cyanoacrylate 153.079 CCCCOC(=O)C(=C)C#N JJJFUHOGVZWXNQ-UHFFFAOYSA-N 23087 BRD-A62197763-001-01-1 enciprazine 0 97.6 Key KE-0221 "1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenoxy)-2-propanol" 432.226 "COc1ccccc1N1CCN(C[C@@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 |&1:13,r|" KSQCNASWXSCJTD-QGZVFWFLSA-N 29919953 BRD-K00003576-001-01-9 encorafenib 0 97.1 MedChemEx HY-15605 Encorafenib 539.152 COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C CMJCXYNUCSMDBY-ZDUSSCGKSA-N 50922675 BRD-K61314889-001-06-9 endo-IWR-1 0 94.74 Tocris 3532 endo-IWR 1 409.143 O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |c:29| ZGSXEXBYLJIOGF-ALFLXDJESA-N 44483163 BRD-M14816435-001-02-7 BRD-K61314889-001-05-1 endo-IWR-1 0 97.95 Tocris 3532 endo-IWR 1 409.143 O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |c:29| ZGSXEXBYLJIOGF-ALFLXDJESA-N 44483163 BRD-M14816435-001-01-9 BRD-K61314889-001-04-4 endo-IWR-1 0 97.96 Selleck S7086 IWR-1-endo 409.143 O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |c:29| ZGSXEXBYLJIOGF-ALFLXDJESA-N 44483163 BRD-K27544219-001-01-6 BRD-K62752296-003-01-3 endoxifen 0 47.41 MedChemEx HY-18719A Endoxifen (hydrochloride) 373.204 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 MHJBZVSGOZTKRH-IZHYLOQSSA-N 10090750 BRD-K62752296-003-02-1 endoxifen 0 52.03 Selleck S7839 Endoxifen HCl 373.204 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 MHJBZVSGOZTKRH-IZHYLOQSSA-N 10090750 BRD-K91486246-003-01-4 BRD-A51831848-001-02-9 enflurane 1 0 Sigma MFCD00069095 "2-CHLORO-1,1,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER" 183.971 "FC(F)OC(F)(F)[C@@H](F)Cl |&1:7,r|" JPGQOUSTVILISH-PVQJCKRUSA-N 7059516 BRD-A51831848-001-01-7 enflurane 1 0 Apollo PC2040 183.971 "FC(F)OC(F)(F)[C@@H](F)Cl |&1:7,r|" JPGQOUSTVILISH-PVQJCKRUSA-N 7059516 BRD-K01825690-001-02-9 enilconazole 0 87.01 MedChemEx HY-B1134 Enilconazole (imazalil) 296.048 Clc1ccc([C@@H](Cn2ccnc2)OCC=C)c(Cl)c1 |&1:5| PZBPKYOVPCNPJY-CQSZACIVSA-N 6992070 BRD-K01825690-065-01-9 enilconazole 0 98.23 MicroSource 1506067 ENILCONAZOLE SULFATE 394.016 Clc1ccc([C@@H](Cn2ccnc2)OCC=C)c(Cl)c1 |&1:5| PZBPKYOVPCNPJY-CQSZACIVSA-N 6992070 BRD-K26425819-001-01-3 eniluracil 0 0 Sigma MFCD19160708 "5-ethynyl-2,4(1H,3H)-pyrimidinedione" 136.027 O=c1[nH]cc(C#C)c(=O)[nH]1 JOZGNYDSEBIJDH-UHFFFAOYSA-N 43157 BRD-K00004568-001-01-9 eniporide 0 96.24 Sigma MFCD08690425 N-[2-methyl-5-(methylsulfonyl)-4-(1H-pyrrol-1-yl)benzoyl]guanidine 320.094 Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 UADMBZFZZOBWBB-UHFFFAOYSA-N 6433092 BRD-K10029415-005-06-9 enisamium-iodide 0 96.66 Vitas-M STL194198 227.118 C[n+]1ccc(cc1)C(=O)NCc1ccccc1 QOEJDHLJOKRPJG-UHFFFAOYSA-O 2132298 BRD-K10029415-005-07-9 enisamium-iodide 0 Broad Institute Enisamium Enisamium 227.118 C[n+]1ccc(cc1)C(=O)NCc1ccccc1 QOEJDHLJOKRPJG-UHFFFAOYSA-O 2132298 BRD-K68488863-001-04-9 ENMD-2076 0 96.02 Selleck S1181 ENMD-2076 375.217 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(\C=C\c2ccccc2)n1 BLQYVHBZHAISJM-CMDGGOBGSA-N 16041424 BRD-K32007074-001-02-9 enocitabine 0 7.01 AKSci 67699 565.409 CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 SAMRUMKYXPVKPA-VFKOLLTISA-N 71734 BRD-A77582494-001-01-3 BRD-K32007074-001-01-1 enocitabine 0 97.2 Carbosynth ENOCITABINE "N-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)docosanamide" 565.409 CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 SAMRUMKYXPVKPA-VFKOLLTISA-N 71734 BRD-K78113049-002-20-9 enoxacin 0 86.42 MedChemEx HY-B0268A Enoxacin (hydrate) 320.128 CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 IDYZIJYBMGIQMJ-UHFFFAOYSA-N 3229 BRD-K78113049-001-16-2 enoxacin 0 89.69 MicroSource 1503215 ENOXACIN 320.128 CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 IDYZIJYBMGIQMJ-UHFFFAOYSA-N 3229 BRD-K78113049-001-15-4 enoxacin 0 0 Selleck S1756 Enoxacin 320.128 CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 IDYZIJYBMGIQMJ-UHFFFAOYSA-N 3229 BRD-K78113049-001-17-0 enoxacin 0 0 Selleck S1756 Enoxacin (Penetrex) 320.128 CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 IDYZIJYBMGIQMJ-UHFFFAOYSA-N 3229 BRD-K21152241-001-07-3 enoximone 0 92.01 Sigma MFCD00867130 "4-methyl-5-[4-(methylsulfanyl)benzoyl]-1,3-dihydro-2H-imidazol-2-one" 248.062 CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C ZJKNESGOIKRXQY-UHFFFAOYSA-N 53708 BRD-K21152241-001-09-9 enoximone 0 Tocris 1693 enoximone 248.062 CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C ZJKNESGOIKRXQY-UHFFFAOYSA-N 53708 BRD-K96137854-001-18-9 enoxolone 0 86.83 MicroSource 1500990 ENOXOLONE 470.34 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| MPDGHEJMBKOTSU-YKLVYJNSSA-N 10114 BRD-A20200672-001-05-5 BRD-K96137854-001-20-9 enoxolone 0 82.56 MedChemEx HY-N0180 18?-Glycyrrhetinic acid 470.34 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| MPDGHEJMBKOTSU-YKLVYJNSSA-N 10114 BRD-K96137854-001-17-1 enoxolone 0 99.76 Selleck S2296 Enoxolone 470.34 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| MPDGHEJMBKOTSU-YKLVYJNSSA-N 10114 BRD-K80535353-001-01-4 BRD-K35007173-001-07-5 enprofylline 0 98.71 Enzo AC635 3-N-Propylxanthine 194.08 CCCn1c2nc[nH]c2c(=O)[nH]c1=O SIQPXVQCUCHWDI-UHFFFAOYSA-N 1676 BRD-K35007173-001-08-9 enprofylline 0 97.2 Sigma MFCD00043205 3-Propylxanthine 194.08 CCCn1c2nc[nH]c2c(=O)[nH]c1=O SIQPXVQCUCHWDI-UHFFFAOYSA-N 1676 BRD-K76534306-001-22-7 enrofloxacin 0 96.46 MicroSource 1503721 ENROFLOXACIN 359.165 CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 SPFYMRJSYKOXGV-UHFFFAOYSA-N 71188 BRD-K76534306-001-25-9 enrofloxacin 0 94.19 MedChemEx HY-B0502 Enrofloxacin 359.165 CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 SPFYMRJSYKOXGV-UHFFFAOYSA-N 71188 BRD-K76534306-001-21-9 enrofloxacin 0 95.96 Selleck S3059 Enrofloxacin 359.165 CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 SPFYMRJSYKOXGV-UHFFFAOYSA-N 71188 BRD-K83636919-001-07-9 entacapone 0 94.8 Tocris 4720 Entacapone 305.101 CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N JRURYQJSLYLRLN-BJMVGYQFSA-N 5281081 BRD-K83636919-001-04-8 entacapone 0 84.39 MicroSource 1502381 ENTACAPONE 305.101 CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N JRURYQJSLYLRLN-BJMVGYQFSA-N 5281081 BRD-K83636919-001-05-5 entacapone 0 97.02 Selleck S3147 Entacapone 305.101 CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N JRURYQJSLYLRLN-BJMVGYQFSA-N 5281081 BRD-K83636919-001-03-0 entacapone 0 81.21 Selleck S3147 Entacapone 305.101 CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N JRURYQJSLYLRLN-BJMVGYQFSA-N 5281081 BRD-K00004610-001-01-9 entasobulin 0 97.5 MedChemEx HY-16777 Entasobulin 439.109 Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc23)cc1 LJIUXAHLYIPHOK-UHFFFAOYSA-N 10203597 BRD-K08206212-002-01-0 entecavir 0 99.22 Selleck S1252 Entecavir Hydrate 277.117 Nc1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)C3=C)c2[nH]1 QDGZDCVAUDNJFG-FXQIFTODSA-N 135398508 BRD-K77908580-001-10-4 entinostat 0 91.5 Selleck S1053 "Entinostat (MS-275, SNDX-275)" 376.154 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 INVTYAOGFAGBOE-UHFFFAOYSA-N 4261 BRD-K77908580-001-15-9 entinostat 0 94.13 MedChemEx HY-12163 Entinostat 376.154 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 INVTYAOGFAGBOE-UHFFFAOYSA-N 4261 BRD-K77908580-001-09-6 entinostat 0 94.4 Selleck S1053 Entinostat (MS-275) 376.154 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 INVTYAOGFAGBOE-UHFFFAOYSA-N 4261 BRD-K39009484-001-01-4 entrectinib 0 87.23 Selleck S7998 Entrectinib (RXDX-101) 560.271 CN1CCN(CC1)c1ccc(C(=O)Nc2[nH]nc3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 HAYYBYPASCDWEQ-UHFFFAOYSA-N 25141092 BRD-K56851771-001-06-8 enzalutamide 0 95.96 Selleck S1250 Enzalutamide (MDV3100) 464.093 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F WXCXUHSOUPDCQV-UHFFFAOYSA-N 15951529 BRD-K79404599-001-15-9 enzastaurin 0 98.11 Tocris 5994 Enzastaurin 515.232 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| AXRCEOKUDYDWLF-UHFFFAOYSA-N 176167 BRD-K79404599-001-09-3 enzastaurin 0 96.53 Selleck S1055 Enzastaurin (LY317615) 515.232 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| AXRCEOKUDYDWLF-UHFFFAOYSA-N 176167 BRD-K42452249-001-02-5 EO-1428 0 96.45 Tocris 2908 EO 1428 414.013 Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl HDCLCHNAEZNGNV-UHFFFAOYSA-N 9801969 BRD-K42452249-001-03-3 EO-1428 0 83.51 Tocris 2908 EO 1428 414.013 Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl HDCLCHNAEZNGNV-UHFFFAOYSA-N 9801969 BRD-K42452249-001-04-9 EO-1428 0 97.01 Tocris 2908 EO 1428 414.013 Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl HDCLCHNAEZNGNV-UHFFFAOYSA-N 9801969 BRD-K79450420-001-03-4 epacadostat 0 96.85 MedChemEx HY-15689 436.992 NS(=O)(=O)NCCNc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 FBKMWOJEPMPVTQ-UHFFFAOYSA-N 135564890 BRD-A15458132-001-01-9 BRD-K79450420-001-01-8 epacadostat 0 97.16 MedChemEx HY-15689 INCB 024360 436.992 NS(=O)(=O)NCCNc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 FBKMWOJEPMPVTQ-UHFFFAOYSA-N 135564890 BRD-K79450420-001-02-6 epacadostat 0 97.41 Selleck S7910 Epacadostat (INCB024360) 436.992 NS(=O)(=O)NCCNc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 FBKMWOJEPMPVTQ-UHFFFAOYSA-N 135564890 BRD-K67385813-001-01-5 BRD-K98054437-001-11-5 epalrestat 0 51.13 MedChemEx HY-66009 Epalrestat 319.034 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 CHNUOJQWGUIOLD-NFZZJPOKSA-N 1549120 BRD-K98054437-001-12-3 epalrestat 0 70.05 MedChemEx HY-66009 Epalrestat 319.034 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 CHNUOJQWGUIOLD-NFZZJPOKSA-N 1549120 BRD-K98054437-001-09-9 epalrestat 0 81.25 Selleck S2035 Epalrestat 319.034 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 CHNUOJQWGUIOLD-NFZZJPOKSA-N 1549120 BRD-K98054437-001-08-1 epalrestat 0 59.65 Selleck S2035 Epalrestat 319.034 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 CHNUOJQWGUIOLD-NFZZJPOKSA-N 1549120 BRD-K47554101-001-02-9 eperezolid 0 90.25 MedChemEx HY-10393 Eperezolid 394.165 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 SIMWTRCFFSTNMG-AWEZNQCLSA-N 73214 BRD-K47554101-001-01-2 eperezolid 0 91.48 MedChemEx HY-10393 Eperezolid 394.165 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 SIMWTRCFFSTNMG-AWEZNQCLSA-N 73214 BRD-K01825729-003-01-9 eperisone 0 99 CombiBlocks OR-1313 295.17 CCc1ccc(cc1)C(=O)[C@@H](C)CN1CCCCC1 |r| SQUNAWUMZGQQJD-AWEZNQCLSA-N 37888265 BRD-K00003130-003-01-9 epetraborole 0 94.68 MedChemEx HY-12479A Epetraborole (hydrochloride) 237.117 NC[C@H]1OB(O)c2c1cccc2OCCCO FXQIIDINBDJDKL-SNVBAGLBSA-N 46836890 BRD-K45014108-003-01-8 ephedrine 0 97.68 MicroSource 1500273 "EPHEDRINE (1R,2S) HYDROCHLORIDE" 165.115 CN[C@@H](C)[C@H](O)c1ccccc1 KWGRBVOPPLSCSI-WPRPVWTQSA-N 9294 BRD-A54236247-003-04-3 ephedrine-(racemic) 0 97.69 MicroSource 1500525 RACEPHEDRINE HYDROCHLORIDE 165.115 "CN[C@@H](C)[C@@H](O)c1ccccc1 |&1:2,&2:4|" KWGRBVOPPLSCSI-WCBMZHEXSA-N 7028 BRD-K03972660-001-12-9 epiandrosterone 0 100 MedChemEx HY-I0352 Epiandrosterone 290.225 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O QGXBDMJGAMFCBF-LUJOEAJASA-N 441302 BRD-K50660797-001-04-4 epicatechin-gallate-(-) 0 0 AnalytiCon NP-002326 442.09 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 LSHVYAFMTMFKBA-TZIWHRDSSA-N 107905 BRD-K50660797-001-05-1 epicatechin-gallate-(-) 0 96.2 MedChemEx HY-N0002 (-)-Epicatechin gallate 442.09 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 LSHVYAFMTMFKBA-TZIWHRDSSA-N 107905 BRD-K00005352-001-01-9 epiestriol 0 91.12 Toronto e586500 16-epiestriol 288.173 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](O)[C@@H]2O PROQIPRRNZUXQM-ZMSHIADSSA-N 68929 BRD-K27529556-001-04-9 epigallocatechin-(-) 0 91.93 MedChemEx HY-N0225 (-)-Epigallocatechin 306.074 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 XMOCLSLCDHWDHP-IUODEOHRSA-N 72277 BRD-K55591206-001-20-7 epigallocatechin-gallate-(-) 0 81.58 MedChemEx HY-13653 (-)-Epigallocatechin Gallate 458.085 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 WMBWREPUVVBILR-WIYYLYMNSA-N 65064 BRD-K55591206-001-22-3 epigallocatechin-gallate-(-) 0 70.62 MedChemEx HY-13653 (-)-Epigallocatechin Gallate 458.085 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 WMBWREPUVVBILR-WIYYLYMNSA-N 65064 BRD-K55591206-001-19-9 epigallocatechin-gallate-(-) 0 63.3 Selleck S2250 (-)-Epigallocatechin gallate 458.085 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 WMBWREPUVVBILR-WIYYLYMNSA-N 65064 BRD-K55591206-001-18-1 epigallocatechin-gallate-(-) 0 64.77 Selleck S2250 (-)-Epigallocatechin Gallate 458.085 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 WMBWREPUVVBILR-WIYYLYMNSA-N 65064 BRD-A98990573-003-01-3 epinastine 0 95.95 Selleck S4253 Epinastine HCl 249.127 "NC1=NC[C@H]2N1c1ccccc1Cc1ccccc21 |&1:4,t:1|" WHWZLSFABNNENI-OAHLLOKOSA-N 15629776 BRD-A98990573-001-02-9 epinastine 0 98.59 MedChemEx HY-B0640 Epinastine 249.127 "NC1=NC[C@H]2N1c1ccccc1Cc1ccccc21 |&1:4,t:1|" WHWZLSFABNNENI-OAHLLOKOSA-N 15629776 BRD-K63126190-001-04-4 epinephrine 0 0 MicroSource 1500274 EPINEPHRINE BITARTRATE 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K63126190-046-03-1 epinephrine 0 98.6 Selleck S2521 Epinephrine bitartrate (Adrenalinium) 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K63126190-001-05-1 epinephrine 0 0 Selleck S2522 L-Adrenaline (Epinephrine) 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K63126190-046-02-3 epinephrine 0 0 Selleck S2521 Epinephrine Bitartrate 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K63126190-001-03-6 epinephrine 0 0 Selleck S2522 L-Adrenaline 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K63126190-003-01-6 epinephrine 0 100 Selleck S3061 Epinephrine HCl 183.09 CNC[C@H](O)c1ccc(O)c(O)c1 UCTWMZQNUQWSLP-VIFPVBQESA-N 5816 BRD-K39339537-001-22-9 epirizole 0 85.98 Labotest LT00772143 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine 234.112 COc1cc(C)nn1-c1nc(C)cc(OC)n1 RHAXSHUQNIEUEY-UHFFFAOYSA-N 3242 BRD-K39339537-001-21-0 epirizole 0 98.14 Prestwick Prestw-32 Epirizole 234.112 COc1cc(C)nn1-c1nc(C)cc(OC)n1 RHAXSHUQNIEUEY-UHFFFAOYSA-N 3242 BRD-K04548931-003-13-2 epirubicin 0 23.34 MicroSource 1505708 EPIRUBICIN HYDROCHLORIDE 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-VTZDEGQISA-N 41867 BRD-K04548931-003-16-5 epirubicin 0 90.55 Selleck S1223 Epirubicin HCl 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO AOJJSUZBOXZQNB-VTZDEGQISA-N 41867 BRD-K56844688-003-01-2 BRD-K04548931-003-08-2 epirubicin 0 Selleck S1223 Epirubicin Hydrocholoride (Ellence) 543.174 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1" 41867 BRD-K02314383-001-01-3 epitiostanol 0 90.16 Prestwick Prestw-1006 Epitiostanol 306.202 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5S[C@@H]5C[C@]34C)[C@@H]1CC[C@@H]2O OBMLHUPNRURLOK-XGRAFVIBSA-N 443935 BRD-K19761926-001-03-6 eplerenone 0 99.75 Selleck S1707 Eplerenone 414.204 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |t:6| JUKPWJGBANNWMW-VWBFHTRKSA-N 443872 BRD-K19761926-001-02-8 eplerenone 0 95.59 Tocris 2397 Eplerenone 414.204 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |t:6| JUKPWJGBANNWMW-VWBFHTRKSA-N 443872 BRD-K19761926-001-07-9 eplerenone 0 84.17 Tocris 2397 Eplerenone 414.204 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |t:6| JUKPWJGBANNWMW-VWBFHTRKSA-N 443872 BRD-K19761926-001-04-4 eplerenone 0 86.27 Selleck S1707 Eplerenone 414.204 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |t:6| JUKPWJGBANNWMW-VWBFHTRKSA-N 443872 BRD-K82139003-001-01-7 BRD-A59329714-001-01-5 epomediol 0 0 TimTec ST50983621 "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol" 186.126 "CC1(C)OC2(C)[C@@H](O)C[C@H]1C[C@@H]2O |&1:11,&2:9,&3:6,r,THB:12:11:1.3:8.6,7:6:1.3:11.10|" JSNQSLSBBZFGBM-XAKJDZQGSA-N BRD-K64054020-001-03-5 epoprostenol 0 36.41 Enzo PG011 Prostaglandin I2 Na 352.225 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O\C(C[C@H]12)=C/CCCC(O)=O KAQKFAOMNZTLHT-OZUDYXHBSA-N 5282411 BRD-K64054020-236-01-1 epoprostenol 0 Biomol PG011-0001 PG1-prostacyclin 352.225 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O\C(C[C@H]12)=C/CCCC(O)=O "InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1" 5282411 BRD-K71823332-001-03-7 epothilone-A 0 97.44 Selleck S1297 Epothilone A 493.25 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 HESCAJZNRMSMJG-QJCAGBKWSA-N 45489244 BRD-K87031376-001-01-0 BRD-K48935217-001-03-9 epothilone-B 0 95.52 MedChemEx HY-17029 Epothilone B 507.265 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 QXRSDHAAWVKZLJ-QBNZTRRJSA-N 118184795 BRD-K52762805-001-01-2 epothilone-D 0 97.71 MedChemEx HY-15278 Epothilone D 491.271 C[C@H]1CCC\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 |c:6| XOZIUKBZLSUILX-HFHFCCBWSA-N BRD-K52762805-001-02-9 epothilone-D 0 95.25 MedChemEx HY-15278 Epothilone D 491.271 C[C@H]1CCC\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 |c:6| XOZIUKBZLSUILX-HFHFCCBWSA-N BRD-K42536037-001-02-9 EPPTB 0 97.76 Tocris 4518 EPPTB 378.156 CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 KLFVWQCQUXXLOU-UHFFFAOYSA-N 25175634 BRD-K42536037-001-01-3 EPPTB 0 95.64 Tocris 4518 EPPTB 378.156 CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 KLFVWQCQUXXLOU-UHFFFAOYSA-N 25175634 BRD-A72212290-300-01-4 eprazinone 0 86.92 Selleck S4137 Eprazinone 2HCl 380.246 "CCO[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 |a:10,&1:3|" BSHWLCACYCVCJE-OFNKIYASSA-N 29962149 BRD-A72212290-300-03-0 eprazinone 0 93.13 Selleck S4137 Eprazinone 2HCl 380.246 "CCO[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 |a:10,&1:3|" BSHWLCACYCVCJE-OFNKIYASSA-N 29962149 BRD-A72212290-300-02-2 eprazinone 0 94.62 Selleck S4137 Eprazinone 2HCl 380.246 "CCO[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 |a:10,&1:3|" BSHWLCACYCVCJE-OFNKIYASSA-N 29962149 BRD-K00003555-001-01-9 eprinomectin 0 66.82 MedChemEx HY-12643 Eprinomectin 913.519 "[H][C@@]12OC\C3=C/C=C/[C@]([H])(C)[C@]([H])(O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(O4)O[C@]([H])([C@@H](C)CC)[C@@]([H])(C)C=C5)OC(=O)[C@]([H])(C=C(C)[C@@]1([H])O)[C@@]23O |c:4,64,t:6,42,72|" ZKWQQXZUCOBISE-NQMKODOQSA-N 86289908 BRD-K00003478-001-01-9 epristeride 0 79.7 MedChemEx HY-107385 Epristeride 399.277 "[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O |c:25,t:23|" VAPSMQAHNAZRKC-PQWRYPMOSA-N 68741 BRD-K17979676-001-02-9 eprobemide 0 95.29 MedChemEx HY-B1413 Eprobemide 282.114 Clc1ccc(cc1)C(=O)NCCCN1CCOCC1 YYFGRAGNYHYWEZ-UHFFFAOYSA-N 65659 BRD-K17979676-001-01-2 eprobemide 0 96.11 MicroSource 1503886 EPROBEMIDE 282.114 Clc1ccc(cc1)C(=O)NCCCN1CCOCC1 YYFGRAGNYHYWEZ-UHFFFAOYSA-N 65659 BRD-K11463116-304-01-9 eprodisate 0 24.9 MicroSource 1506180 EPRODISATE DISODIUM 203.976 OS(=O)(=O)CCCS(O)(=O)=O MGNVWUDMMXZUDI-UHFFFAOYSA-N 428573 BRD-K11463116-304-02-7 eprodisate 0 90.1 Sigma MFCD00191483 "disodium 1,3-propanedisulfonate" 203.976 OS(=O)(=O)CCCS(O)(=O)=O MGNVWUDMMXZUDI-UHFFFAOYSA-N 428573 BRD-K11463116-304-03-5 eprodisate 0 95.43 MedChemEx HY-B1141 Eprodisate (disodium) 203.976 OS(=O)(=O)CCCS(O)(=O)=O MGNVWUDMMXZUDI-UHFFFAOYSA-N 428573 BRD-K67977190-066-02-3 eprosartan 0 92.89 Selleck S4102 Eprosartan Mesylate 424.146 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O OROAFUQRIXKEMV-LDADJPATSA-N 5281037 BRD-K67977190-066-03-1 eprosartan 0 99.15 Selleck S4102 Eprosartan Mesylate 424.146 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O OROAFUQRIXKEMV-LDADJPATSA-N 5281037 BRD-K68830460-015-01-5 eptifibatide 0 96.92 Selleck P1011 Eptifibatide(Integrilin) 831.316 NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O CZKPOZZJODAYPZ-IQENKEMDSA-N 134812820 BRD-K26531771-001-01-4 EPZ-5676 0 93.17 Selleck S7062 EPZ5676 562.338 CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(cc3[nH]2)C(C)(C)C)C1 LXFOLMYKSYSZQS-LURJZOHASA-N BRD-K26531771-001-03-9 EPZ-5676 0 91.6 MedChemEx HY-15593 Pinometostat 562.338 CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(cc3[nH]2)C(C)(C)C)C1 LXFOLMYKSYSZQS-LURJZOHASA-N BRD-K26531771-001-02-2 EPZ-5676 0 95.25 Selleck S7062 EPZ-5676 562.338 CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(cc3[nH]2)C(C)(C)C)C1 LXFOLMYKSYSZQS-LURJZOHASA-N BRD-K63457253-001-01-3 BRD-K69070623-003-01-7 EPZ004777 0 94.61 Selleck S7032 EPZ004777 HCl 539.322 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 WXRGFPHDRFQODR-ICLZECGLSA-N 56962336 BRD-K69070623-001-01-1 EPZ004777 0 92.62 Selleck S7353 EPZ004777 539.322 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 WXRGFPHDRFQODR-ICLZECGLSA-N 56962336 BRD-K69070623-001-02-9 EPZ004777 0 90.2 Selleck S7353 EPZ004777 539.322 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 WXRGFPHDRFQODR-ICLZECGLSA-N 56962336 BRD-K57754230-001-02-7 EPZ005687 0 95.53 Selleck S7004 EPZ005687 539.29 Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1 ZOIBZSZLMJDVDQ-UHFFFAOYSA-N 60160561 BRD-K87468701-001-01-0 EPZ011989 0 95.82 MedChemEx HY-16986 EPZ011989 605.394 CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1 |r| XQFINGFCBFHOPE-WXUXXXNLSA-N BRD-K70446295-001-01-7 EPZ015666 0 95.64 MedChemEx HY-12727 EPZ015666 383.196 O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1 ZKXZLIFRWWKZRY-KRWDZBQOSA-N 90241673 BRD-K33586289-003-02-8 EPZ020411 0 90.26 MedChemEx HY-12970A EPZ020411 (hydrochloride) 442.294 CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r| QMDKVNSQXPVCRD-RQNOJGIXSA-N BRD-K33586289-003-01-0 EPZ020411 0 86.88 MedChemEx HY-12970A EPZ020411 (hydrochloride) 442.294 CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r| QMDKVNSQXPVCRD-RQNOJGIXSA-N BRD-A88080608-001-04-2 equilin 0 86.71 MicroSource 1500275 EQUILIN 268.146 "C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O |&1:1,&2:4,&3:15,r,c:5|" WKRLQDKEXYKHJB-UWWQBHOKSA-N 41097932 BRD-K54847683-001-04-0 equol 0 94.86 Selleck S2450 Equol 242.094 Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 ADFCQWZHKCXPAJ-GFCCVEGCSA-N 91469 BRD-K54847683-001-03-2 equol 0 89.34 Selleck S2450 Equol 242.094 Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 ADFCQWZHKCXPAJ-GFCCVEGCSA-N 91469 BRD-K11927976-050-04-5 ER-27319 0 100 Tocris 2471 "(2Z)-2-butenedioic acid compound with 10-(3-aminopropyl)-3,4-dimethyl-9(10H)-acridinone (1:1)" 280.158 Cc1ccc2c(c1C)n(CCCN)c1ccccc1c2=O CFPDEQBPNROZDC-UHFFFAOYSA-N 9799509 BRD-K11927976-050-02-9 ER-27319 0 82.32 Tocris 2471 ER 27319 maleate 280.158 Cc1ccc2c(c1C)n(CCCN)c1ccccc1c2=O CFPDEQBPNROZDC-UHFFFAOYSA-N 9799509 BRD-K11927976-050-03-7 ER-27319 0 82.73 Tocris 2471 ER 27319 maleate 280.158 Cc1ccc2c(c1C)n(CCCN)c1ccccc1c2=O CFPDEQBPNROZDC-UHFFFAOYSA-N 9799509 BRD-K18347943-001-01-8 ER-50891 0 66.53 Tocris 3823 ER 50891 432.184 CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1 LSGNKLDHMQVTEK-UHFFFAOYSA-N 10094345 BRD-K18347943-001-02-9 ER-50891 0 96.07 Tocris 3823 ER 50891 432.184 CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1 LSGNKLDHMQVTEK-UHFFFAOYSA-N 10094345 BRD-A25004090-001-08-4 erastin 0 90.33 Selleck S7242 Erastin 546.203 "CCOc1ccccc1-n1c(nc2ccccc2c1=O)[C@@H](C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 |&1:20,r|" BKQFRNYHFIQEKN-OAQYLSRUSA-N 91669533 BRD-A25004090-001-09-2 erastin 0 98.74 Selleck S7242 Erastin 546.203 "CCOc1ccccc1-n1c(nc2ccccc2c1=O)[C@@H](C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 |&1:20,r|" BKQFRNYHFIQEKN-OAQYLSRUSA-N 91669533 BRD-K00003240-300-01-9 eravacycline 0 0 MedChemEx HY-16980A Eravacycline (dihydrochloride) 558.213 "[H][C@@]12Cc3c(F)cc(NC(=O)CN4CCCC4)c(O)c3C(=O)[C@H]1C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2 |&1:29,&2:22|" LSZZJAUTRJAFCO-KKCFVTAMSA-N BRD-K35573744-001-06-8 erbstatin-analog 0 63.51 Tocris 577 "Methyl 2,5-dihydroxycinnamate" 194.058 COC(=O)\C=C\c1cc(O)ccc1O BQCNSTFWSKOWMA-GORDUTHDSA-N 5353609 BRD-K84163249-001-03-5 ercalcitriol 0 89.45 MedChemEx HY-32350 Ercalcitriol 428.329 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C ZGLHBRQAEXKACO-XJRQOBMKSA-N 9547243 BRD-K84163249-001-01-9 ercalcitriol 0 92.34 MedChemEx HY-32350 Ercalcitriol 428.329 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C ZGLHBRQAEXKACO-XJRQOBMKSA-N 9547243 BRD-K84868168-001-01-0 erdafitinib 0 95.96 MedChemEx HY-18708 Erdafitinib 446.243 COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1 OLAHOMJCDNXHFI-UHFFFAOYSA-N 67462786 BRD-A05515753-001-03-2 erdosteine 0 94 MicroSource 1502383 ERDOSTEINE 249.013 "OC(=O)CSCC(=O)N[C@H]1CCSC1=O |&1:9,r|" QGFORSXNKQLDNO-YFKPBYRVSA-N 40467037 BRD-A05515753-001-02-4 erdosteine 0 86.34 Selleck S1825 Erdosteine 249.013 "OC(=O)CSCC(=O)N[C@H]1CCSC1=O |&1:9,r|" QGFORSXNKQLDNO-YFKPBYRVSA-N 40467037 BRD-A05515753-001-04-0 erdosteine 0 99.06 Selleck S1825 Erdosteine 249.013 "OC(=O)CSCC(=O)N[C@H]1CCSC1=O |&1:9,r|" QGFORSXNKQLDNO-YFKPBYRVSA-N 40467037 BRD-A05515753-001-05-9 erdosteine 0 96.22 MedChemEx HY-B0289 Erdosteine 249.013 "OC(=O)CSCC(=O)N[C@H]1CCSC1=O |&1:9,r|" QGFORSXNKQLDNO-YFKPBYRVSA-N 40467037 BRD-K56155962-001-15-4 ergocalciferol 0 0 MicroSource 1500276 ERGOCALCIFEROL 396.339 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C MECHNRXZTMCUDQ-RKHKHRCZSA-N 5280793 BRD-A87199639-001-04-4 BRD-K56155962-001-12-1 ergocalciferol 0 0 Sigma MFCD00166988 "(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol" 396.339 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C MECHNRXZTMCUDQ-RKHKHRCZSA-N 5280793 BRD-K56155962-001-16-2 ergocalciferol 0 0 Selleck S4035 Vitamin D2 396.339 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C MECHNRXZTMCUDQ-RKHKHRCZSA-N 5280793 BRD-K05243578-001-01-6 BRD-K56155962-001-11-3 ergocalciferol 0 79.58 Selleck S4035 Vitamin D2 (Ergocalciferol) 396.339 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C MECHNRXZTMCUDQ-RKHKHRCZSA-N 5280793 BRD-K17311468-050-01-7 ergonovine 0 97.04 USP 1240004 Ergonovine maleate 325.179 C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| WVVSZNPYNCNODU-XTQGRXLLSA-N 443884 BRD-K03039262-001-03-7 ergosterol 0 0 Selleck S2297 Ergosterol 396.339 "CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:13,15|" DNVPQKQSNYMLRS-APGDWVJJSA-N 444679 BRD-K03039262-001-04-5 ergosterol 0 0 Selleck S2297 Ergosterol 396.339 "CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:13,15|" DNVPQKQSNYMLRS-APGDWVJJSA-N 444679 BRD-K09161066-001-01-5 BRD-K03039262-001-05-2 ergosterol 0 0 Selleck S2297 DL-carnetine HCl 396.339 "CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:13,15|" DNVPQKQSNYMLRS-APGDWVJJSA-N 444679 BRD-K15380626-046-02-9 ergotamine 0 79 Sigma BCBN2989V ergotamine D-tartrate 581.264 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |c:4| XCGSFFUVFURLIX-VFGNJEKYSA-N 8223 BRD-K00003156-066-01-9 eribulin 0 100 MedChemEx HY-13442A Eribulin mesylate 729.409 "[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@@]7([H])O[C@@]8(C[C@@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2 |THB:43:44:51.53:48.49.56.58,50:49:44:51.53,50:51:44:48.49.56.58,53:54:46.48.49.58:41.43.59,59:56:44:51.53|" UFNVPOGXISZXJD-JBQZKEIOSA-N 11354606 BRD-K64857848-001-06-4 ERK5-IN-1 0 87.52 MedChemEx HY-14403 ERK5-IN-1 459.238 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 DDTPGANIPBKTNU-UHFFFAOYSA-N 46844147 BRD-K70401845-001-15-7 erlotinib 0 99.27 Selleck S1023 Erlotinib 393.169 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC AAKJLRGGTJKAMG-UHFFFAOYSA-N 176870 BRD-K70401845-003-09-6 erlotinib 0 99.25 Selleck S1023 Erlotinib HCl (OSI-744) 393.169 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC AAKJLRGGTJKAMG-UHFFFAOYSA-N 176870 BRD-K70401845-001-09-0 erlotinib 0 Selleck S1023 Erlotinib HCl 393.169 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC "InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)" 176870 BRD-A40472231-304-01-7 ertapenem 0 0 SantaCruz sc-391428 475.141 "C[C@@H](O)[C@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)Nc3cccc(c3)C(O)=O)=C(N2C1=O)C(O)=O |a:1,4,5,9,12,&1:3,c:27|" JUZNIMUFDBIJCM-FKTXGUMASA-N 124518153 BRD-A40472231-304-02-5 ertapenem 0 SantaCruz sc-391428 475.141 "C[C@@H](O)[C@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)Nc3cccc(c3)C(O)=O)=C(N2C1=O)C(O)=O |a:1,4,5,9,12,&1:3,c:27|" JUZNIMUFDBIJCM-FKTXGUMASA-N 124518153 BRD-K80608265-001-01-6 erteberel 0 97.54 Selleck S1598 282.126 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 XIESSJVMWNJCGZ-VKJFTORMSA-N 10286159 BRD-K00003574-001-01-9 ertugliflozin 0 97.81 MedChemEx HY-15461 Ertugliflozin 436.129 CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 MCIACXAZCBVDEE-CUUWFGFTSA-N 44814423 BRD-K79315489-001-09-9 erythritol 0 100 MedChemEx HY-100551 meso-Erythritol 122.058 OC[C@H](O)[C@H](O)CO UNXHWFMMPAWVPI-ZXZARUISSA-N 222285 BRD-K79315489-001-07-8 erythritol 0 0 Selleck S4224 Erythritol 122.058 OC[C@H](O)[C@H](O)CO UNXHWFMMPAWVPI-ZXZARUISSA-N 222285 BRD-K79315489-001-08-6 erythritol 0 92.41 Selleck S4224 Erythritol 122.058 OC[C@H](O)[C@H](O)CO UNXHWFMMPAWVPI-ZXZARUISSA-N 222285 BRD-K63550407-001-16-9 erythromycin 0 86.8 MedChemEx HY-B0220 Erythromycin 733.461 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-BCQGSPHWSA-N BRD-K63550407-001-12-7 erythromycin 0 88.23 MicroSource 1500280 ERYTHROMYCIN 733.461 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-BCQGSPHWSA-N BRD-K63550407-028-04-7 erythromycin 0 68.47 MicroSource 1500281 ERYTHROMYCIN STEARATE 733.461 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-BCQGSPHWSA-N BRD-K63550407-001-13-5 erythromycin 0 86.16 Selleck s1635 Erythromycin 733.461 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-BCQGSPHWSA-N BRD-K05127550-001-02-1 BRD-K63550407-001-14-3 erythromycin 0 81.29 Selleck S1635 Erythromycin 733.461 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-BCQGSPHWSA-N BRD-K05127550-001-03-9|BRD-A20485507-001-01-2 BRD-K39746403-084-05-6 erythromycin-estolate 0 66.36 AlfaAesar J66548 Erythromycin estolate 789.487 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O TYQXKHPOXXXCTP-JKQIPHDKSA-N BRD-K39746403-084-04-9 erythromycin-estolate 0 0 MicroSource 1501176 ERYTHROMYCIN ESTOLATE 789.487 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O TYQXKHPOXXXCTP-JKQIPHDKSA-N BRD-K51677086-001-15-9 erythromycin-ethylsuccinate 0 88.6 MedChemEx HY-B0957 Erythromycin Ethylsuccinate 861.509 CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C NSYZCCDSJNWWJL-ZBFNRKITSA-N 132274075 BRD-K51677086-001-12-0 erythromycin-ethylsuccinate 0 93.05 MicroSource 1500279 ERYTHROMYCIN ETHYLSUCCINATE 861.509 CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C NSYZCCDSJNWWJL-ZBFNRKITSA-N 132274075 BRD-K51677086-001-13-8 erythromycin-ethylsuccinate 0 5.58 Selleck S4060 Erythromycin Ethylsuccinate 861.509 CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C NSYZCCDSJNWWJL-ZBFNRKITSA-N 132274075 BRD-K51677086-001-14-6 erythromycin-ethylsuccinate 0 79.02 Selleck S4060 Erythromycin Ethylsuccinate 861.509 CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C NSYZCCDSJNWWJL-ZBFNRKITSA-N 132274075 BRD-K13846766-001-01-8 BRD-K07549832-304-03-9 erythrosine 0 92.35 MedChemEx HY-D0259 Erythrosin B 835.655 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I OALHHIHQOFIMEF-UHFFFAOYSA-N 3259 BRD-K92426617-001-06-3 esaprazole 0 89.47 Enamine Z234896745 N-cyclohexyl-2-(1-piperazinyl)acetamide 225.184 O=C(CN1CCNCC1)NC1CCCCC1 RTFADALJKSFJDZ-UHFFFAOYSA-N 68835 BRD-K92426617-001-05-5 esaprazole 0 11.31 Enamine Z234896745 225.184 O=C(CN1CCNCC1)NC1CCCCC1 RTFADALJKSFJDZ-UHFFFAOYSA-N 68835 BRD-K00003374-001-01-9 esaxerenone 0 95.72 MedChemEx HY-100471 Esaxerenone 466.117 Cc1c(cn(CCO)c1-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O NOSNHVJANRODGR-UHFFFAOYSA-N 25052023 BRD-K00010936-001-01-9 escin 0 34.39 Sigma none escin 1130.551 CC=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |c:21| AXNVHPCVMSNXNP-FDGZCRRKSA-N 441903 BRD-K70301876-034-13-7 escitalopram 0 95.18 MicroSource 1505216 ESCITALOPRAM OXALATE 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-K70301876-034-15-9 escitalopram 0 96.09 Tocris 4796 Escitalopram oxalate 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-K70301876-034-14-5 escitalopram 0 98.5 Tocris 4796 Escitalopram oxalate 324.164 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 WSEQXVZVJXJVFP-FQEVSTJZSA-N 146570 BRD-K01825597-034-02-9 escitalopram 0 96.59 Selleck S4064 Escitalopram Oxalate 414.159 "OC(=O)C(O)=O.CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |&1:12,r|" KTGRHKOEFSJQNS-BDQAORGHSA-N 146571 BRD-A47598013-034-02-7|BRD-A47598013-034-02-7|BRD-A47598013-034-02-7 BRD-K51742987-001-05-6 esculin 0 89.73 Selleck S2258 Esculin 340.079 OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O XHCADAYNFIFUHF-TVKJYDDYSA-N 5281417 BRD-K13629382-051-06-6 eseroline-(-) 0 0 Prestwick Prestw-1082 (-)-Eseroline fumarate salt 218.142 CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 HKGWQUVGHPDEBZ-OLZOCXBDSA-N 119198 BRD-K76359782-051-03-7 BRD-K77139516-001-01-4 ESI-09 0 91.97 MedChemEx HY-16704 ESI-09 330.088 CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N DXEATJQGQHDURZ-DEDYPNTBSA-N 6077765 BRD-K77139516-001-02-2 ESI-09 0 96.93 Tocris 4773 ESI 09 330.088 CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N DXEATJQGQHDURZ-DEDYPNTBSA-N 6077765 BRD-K61237927-001-02-9 eslicarbazepine-acetate 0 96.87 MedChemEx HY-B0703 Eslicarbazepine (acetate) 296.116 CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 QIALRBLEEWJACW-INIZCTEOSA-N 179344 BRD-K61237927-001-01-7 eslicarbazepine-acetate 0 99.86 MedChemEx HY-B0703 Eslicarbazepine (acetate) 296.116 CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 QIALRBLEEWJACW-INIZCTEOSA-N 179344 BRD-K01825842-003-02-9 esmolol 0 95.93 MedChemEx HY-B1392 Esmolol (hydrochloride) 295.178 "COC(=O)CCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |&1:12,r|" AQNDDEOPVVGCPG-AWEZNQCLSA-N 28125476 BRD-K61443506-236-02-0 esomeprazole 0 98.56 Selleck S2233 Esomeprazole Sodium 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-236-02-5|BRD-A55962179-236-02-5|BRD-A55962179-236-02-5|BRD-A55962179-236-02-5 BRD-K61443506-237-01-0 esomeprazole 0 85.63 MicroSource 1502361 ESOMEPRAZOLE POTASSIUM 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-239-01-1|BRD-A55962179-239-01-1|BRD-A55962179-239-01-1|BRD-A55962179-239-01-1 BRD-K61443506-239-01-6 esomeprazole 0 98.67 Selleck S1743 Esomeprazole magnesium (Nexium) 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-239-02-9|BRD-A55962179-239-02-9|BRD-A55962179-239-02-9|BRD-A55962179-239-02-9 BRD-K61443506-239-03-9 esomeprazole 0 98.22 MedChemEx HY-17022 Esomeprazole (Magnesium trihydrate) 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-239-38-9|BRD-A55962179-239-38-9|BRD-A55962179-239-38-9|BRD-A55962179-239-38-9 BRD-K00003282-001-01-9 esonarimod 0 96.22 MedChemEx HY-19440 Esonarimod 280.077 "CC(=O)SC[C@H](CC(=O)c1ccc(C)cc1)C(O)=O |&1:5,r|" YRSSFEUQNAXQMX-LBPRGKRZSA-N 9795701 BRD-K75445017-001-01-1 estetrol 0 86.38 Sigma SML1523 "(15alpha,16alpha,17beta)-estra-1,3,5(10)-triene-3,15,16,17-tetrol" 304.167 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O AJIPIJNNOJSSQC-NYLIRDPKSA-N 27125 BRD-K18910433-001-43-2 estradiol 0 92.44 MicroSource 1500282 ESTRADIOL 272.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O VOXZDWNPVJITMN-ZBRFXRBCSA-N 5757 BRD-A18917088-001-04-9 BRD-K18910433-001-36-6 estradiol 0 87.73 Selleck S1709 Estradiol 272.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O VOXZDWNPVJITMN-ZBRFXRBCSA-N 5757 BRD-K18910433-001-42-4 estradiol 0 87.2 Selleck S1709 Estradiol 272.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O VOXZDWNPVJITMN-ZBRFXRBCSA-N 5757 BRD-K60633875-001-01-0 BRD-K00004741-001-01-9 estradiol-3-O-sulfamate 0 81.52 MedChemEx HY-U00112 Estradiol 3-sulfamate 351.15 C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O YXYXCSOJKUAPJI-ZBRFXRBCSA-N 6918339 BRD-K53319039-001-01-8 estradiol-acetate 0 96.27 Sigma MFCD00198969 "(17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl acetate" 314.188 CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1 FHXBMXJMKMWVRG-SLHNCBLASA-N 9818306 BRD-K44412991-001-11-9 estradiol-benzoate 0 87.32 MedChemEx HY-B1192 Estradiol benzoate 376.204 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O UYIFTLBWAOGQBI-BZDYCCQFSA-N 222757 BRD-K64984393-001-07-9 estradiol-cypionate 0 97.01 MedChemEx HY-B1100 Estradiol cypionate 396.266 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 UOACKFBJUYNSLK-XRKIENNPSA-N 9403 BRD-K66766661-001-21-9 estradiol-valerate 0 79.63 MedChemEx HY-B0672 Estradiol valerianate 356.235 CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C RSEPBGGWRJCQGY-RBRWEJTLSA-N 13791 BRD-K66766661-001-19-2 estradiol-valerate 0 96.27 MicroSource 1500284 ESTRADIOL VALERATE 356.235 CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C RSEPBGGWRJCQGY-RBRWEJTLSA-N 13791 BRD-A39747742-001-04-3 BRD-K66766661-001-20-0 estradiol-valerate 0 95.69 Selleck S3149 Estradiol valerate 356.235 CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C RSEPBGGWRJCQGY-RBRWEJTLSA-N 13791 BRD-K12790232-001-01-5 BRD-A70858459-001-01-7 estramustine 0 94.83 MicroSource 1502384 ESTRAMUSTINE 439.168 "C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O |a:1,27,&1:4,&2:5,&3:24|" FRPJXPJMRWBBIH-RBRWEJTLSA-N 259331 BRD-K00077635-304-01-2 estramustine-phosphate 0 93.37 Enzo AC1524 Estramustine phosphate sodium 519.134 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O ADFOJJHRTBFFOF-RBRWEJTLSA-N 259329 BRD-K00077635-304-02-9 estramustine-phosphate 0 82.85 MedChemEx HY-13627 Estramustine (phosphate sodium) 519.134 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O ADFOJJHRTBFFOF-RBRWEJTLSA-N 259329 BRD-K17016787-001-17-9 estriol 0 82.01 MedChemEx HY-B0412 Estriol 288.173 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O PROQIPRRNZUXQM-ZXXIGWHRSA-N 5756 BRD-K17016787-001-16-7 estriol 0 88.19 MicroSource 1500285 ESTRIOL 288.173 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O PROQIPRRNZUXQM-ZXXIGWHRSA-N 5756 BRD-A18620900-001-05-2 BRD-K17016787-001-13-4 estriol 0 81.41 Selleck S2466 Estriol 288.173 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O PROQIPRRNZUXQM-ZXXIGWHRSA-N 5756 BRD-K17016787-001-15-9 estriol 0 82.92 Selleck S2466 Estriol 288.173 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O PROQIPRRNZUXQM-ZXXIGWHRSA-N 5756 BRD-K03411175-001-01-8 BRD-K81839095-001-31-9 estrone 0 95.52 MedChemEx HY-B0234 Estrone 270.162 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O DNXHEGUUPJUMQT-CBZIJGRNSA-N 5870 BRD-K81839095-001-30-1 estrone 0 91.87 MicroSource 1500286 ESTRONE 270.162 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O DNXHEGUUPJUMQT-CBZIJGRNSA-N 5870 BRD-A37959677-001-04-5 BRD-K81839095-001-25-1 estrone 0 90.88 Selleck S1665 Estrone 270.162 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O DNXHEGUUPJUMQT-CBZIJGRNSA-N 5870 BRD-K81839095-001-29-3 estrone 0 87.06 Selleck S1665 Estrone 270.162 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O DNXHEGUUPJUMQT-CBZIJGRNSA-N 5870 BRD-K15236393-001-01-1 BRD-K51095933-231-16-9 estropipate 0 90.34 Tocris 3588 Estropipate 350.119 C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O JKKFKPJIXZFSSB-CBZIJGRNSA-N 3001028 BRD-K63630713-001-27-9 etacrynic-acid 0 94.88 MedChemEx HY-B1640 Ethacrynic acid 302.011 CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl AVOLMBLBETYQHX-UHFFFAOYSA-N 3278 BRD-K63630713-001-25-8 etacrynic-acid 0 98.7 MicroSource 1500287 ETHACRYNIC ACID 302.011 CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl AVOLMBLBETYQHX-UHFFFAOYSA-N 3278 BRD-K84971356-001-01-4 etafenone 0 98.74 Vitas-M STK321191 1-{2-[2-(diethylamino)ethoxy]phenyl}-3-phenyl-1-propanone 325.204 CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1 OEGDFSLNGABBKJ-UHFFFAOYSA-N 3275 BRD-K71055333-224-07-9 etamsylate 0 92.6 MedChemEx HY-B1074 Ethamsylate 189.994 Oc1ccc(O)c(c1)S(O)(=O)=O IKQCSJBQLWJEPU-UHFFFAOYSA-N 17507 BRD-K71055333-224-05-8 etamsylate 0 79.22 Selleck S4152 Ethamsylate 189.994 Oc1ccc(O)c(c1)S(O)(=O)=O IKQCSJBQLWJEPU-UHFFFAOYSA-N 17507 BRD-K71055333-224-06-6 etamsylate 0 98.66 Selleck S4152 Ethamsylate 189.994 Oc1ccc(O)c(c1)S(O)(=O)=O IKQCSJBQLWJEPU-UHFFFAOYSA-N 17507 BRD-K96042922-001-09-8 etanidazole 0 97.03 Prestwick Prestw-649 Etanidazole 214.07 OCCNC(=O)Cn1ccnc1[N+]([O-])=O WCDWBPCFGJXFJZ-UHFFFAOYSA-N 3276 BRD-K96042922-001-10-9 etanidazole 0 100 Toronto e889230 etanidazole 214.07 OCCNC(=O)Cn1ccnc1[N+]([O-])=O WCDWBPCFGJXFJZ-UHFFFAOYSA-N 3276 BRD-K64755930-003-04-9 etazolate 0 91.77 Tocris 438 Etazolate hydrochloride 289.154 CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C OPQRBXUBWHDHPQ-UHFFFAOYSA-N 3277 BRD-K64755930-003-03-2 etazolate 0 91.67 Tocris 438 Etazolate hydrochloride 289.154 CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C OPQRBXUBWHDHPQ-UHFFFAOYSA-N 3277 BRD-K54264768-001-01-2 ETC-159 0 97.74 MedChemEx HY-18988 ETC-159 391.139 Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O QTRXIFVSTWXRJJ-UHFFFAOYSA-N 86280523 BRD-K00003115-001-01-9 ETC-206 0 97.55 MedChemEx HY-112424 ETC-206 408.159 O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 FWRFPHJSGLYXTD-UHFFFAOYSA-N 71766360 BRD-K24443618-001-10-2 etebenecid 0 98.34 MicroSource 1504349 ETEBENECID 257.072 CCN(CC)S(=O)(=O)c1ccc(cc1)C(O)=O UACOQEQOBAQRDQ-UHFFFAOYSA-N 14604 BRD-K64834129-001-19-6 eterobarb 0 94.62 Vitas-M STK091981 "5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione" 320.137 CCC1(C(=O)N(COC)C(=O)N(COC)C1=O)c1ccccc1 DACOQFZGGLCXMA-UHFFFAOYSA-N 33925 BRD-K10667240-001-01-7 ethacizin 0 97.41 Vitas-M STK995917 ethyl 10-[3-(diethylamino)propanoyl]-10H-phenothiazin-2-ylcarbamate 413.177 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(CC)CC)c2c1 PQXGNJKJMFUPPM-UHFFFAOYSA-N 107841 BRD-K24715592-043-02-2 ethacridine-lactate-monohydrate 0 58.45 MicroSource 1505168 ETHACRIDINE LACTATE 253.122 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 CIKWKGFPFXJVGW-UHFFFAOYSA-N 2017 BRD-K24715592-406-01-3 ethacridine-lactate-monohydrate 0 41.83 Selleck S4196 Ethacridine lactate monohydrate 253.122 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 CIKWKGFPFXJVGW-UHFFFAOYSA-N 2017 BRD-K24715592-406-03-9 ethacridine-lactate-monohydrate 0 91.12 Selleck S4196 "(2S)-3-methyl-2-[({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)amino]butanoic acid" 253.122 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 CIKWKGFPFXJVGW-UHFFFAOYSA-N 2017 BRD-K24715592-406-02-1 ethacridine-lactate-monohydrate 0 87.55 Selleck S4196 Ethacridine lactate monohydrate 253.122 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 CIKWKGFPFXJVGW-UHFFFAOYSA-N 2017 BRD-K93231391-300-06-4 ethambutol 0 100 MicroSource 1500288 ETHAMBUTOL HYDROCHLORIDE 204.184 CC[C@@H](CO)NCCN[C@@H](CC)CO AEUTYOVWOVBAKS-UWVGGRQHSA-N 14052 BRD-K93231391-300-08-9 ethambutol 0 68.4 MedChemEx HY-B0535A Ethambutol (dihydrochloride) 204.184 CC[C@@H](CO)NCCN[C@@H](CC)CO AEUTYOVWOVBAKS-UWVGGRQHSA-N 14052 BRD-K93231391-300-05-6 ethambutol 0 100 Selleck S4004 Ethambutol HCl 204.184 CC[C@@H](CO)NCCN[C@@H](CC)CO AEUTYOVWOVBAKS-UWVGGRQHSA-N 14052 BRD-K38055836-001-22-9 ethamivan 0 87.48 Sigma MFCD00026727 "N,N-diethyl-4-hydroxy-3-methoxybenzamide" 223.121 CCN(CC)C(=O)c1ccc(O)c(OC)c1 BQJODPIMMWWMFC-UHFFFAOYSA-N 9363 BRD-K38055836-001-21-1 ethamivan 0 83.41 MicroSource 1505994 ETHAMIVAN 223.121 CCN(CC)C(=O)c1ccc(O)c(OC)c1 BQJODPIMMWWMFC-UHFFFAOYSA-N 9363 BRD-M75061779-001-01-2 ethanolamine-oleate 1 0 MicroSource 1506170 ETHANOLAMINE OLEATE 343.309 NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O KGWDUNBJIMUFAP-KVVVOXFISA-N 5282489 BRD-K36756879-003-08-7 ethaverine 0 99.19 MicroSource 1501000 ETHAVERINE HYDROCHLORIDE 395.21 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC ZOWYFYXTIWQBEP-UHFFFAOYSA-N 3280 BRD-K36756879-001-09-9 ethaverine 0 96.9 Toronto e676700 ethaverine 395.21 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC ZOWYFYXTIWQBEP-UHFFFAOYSA-N 3280 BRD-K88308881-001-08-9 ethenzamide 0 96.51 MedChemEx HY-B1428 2-Ethoxybenzamide 165.079 CCOc1ccccc1C(N)=O SBNKFTQSBPKMBZ-UHFFFAOYSA-N 3282 BRD-K88308881-001-06-8 ethenzamide 0 99.07 MicroSource 1502735 ETHENZAMIDE 165.079 CCOc1ccccc1C(N)=O SBNKFTQSBPKMBZ-UHFFFAOYSA-N 3282 BRD-K19672466-001-02-3 ethimizol 0 99.78 MedChemEx HY-13918 Etimizol 210.112 CCn1cnc(C(=O)NC)c1C(=O)NC RYRFAMRQBZNEPX-UHFFFAOYSA-N 6168 BRD-K19672466-001-04-9 ethimizol 0 97.86 MedChemEx HY-13918 Etimizol 210.112 CCn1cnc(C(=O)NC)c1C(=O)NC RYRFAMRQBZNEPX-UHFFFAOYSA-N 6168 BRD-K48195008-001-19-9 ethinyl-estradiol 0 96.04 MicroSource 1500291 ETHINYL ESTRADIOL 296.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C BFPYWIDHMRZLRN-SLHNCBLASA-N 5991 BRD-A02367930-001-04-5 BRD-K48195008-001-17-3 ethinyl-estradiol 0 80.36 Selleck S1625 Ethinyl Estradiol 296.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C BFPYWIDHMRZLRN-SLHNCBLASA-N 5991 BRD-K48195008-001-18-1 ethinyl-estradiol 0 87.81 Selleck S1625 Ethinyl Estradiol 296.178 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C BFPYWIDHMRZLRN-SLHNCBLASA-N 5991 BRD-K42555202-001-01-2 BRD-K33710385-001-05-9 ethionamide 0 98.1 MicroSource 1500292 ETHIONAMIDE 166.056 CCc1cc(ccn1)C(N)=S AEOCXXJPGCBFJA-UHFFFAOYSA-N 2761171 BRD-K33710385-001-06-9 ethionamide 0 94.18 Selleck S1777 Ethionamide 166.056 CCc1cc(ccn1)C(N)=S AEOCXXJPGCBFJA-UHFFFAOYSA-N 2761171 BRD-K33710385-001-28-9 ethionamide 0 95.01 MedChemEx HY-B0276 Ethionamide 166.056 CCc1cc(ccn1)C(N)=S AEOCXXJPGCBFJA-UHFFFAOYSA-N 2761171 BRD-K03981224-001-19-3 ethisterone 0 83.11 Selleck S2611 Ethisterone 312.209 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8| CHNXZKVNWQUJIB-CEGNMAFCSA-N 5284557 BRD-K03981224-001-22-9 ethisterone 0 79.54 MedChemEx HY-B0487 Ethisterone 312.209 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8| CHNXZKVNWQUJIB-CEGNMAFCSA-N 5284557 BRD-K03981224-001-21-9 ethisterone 0 81.08 Selleck S2611 Ethisterone 312.209 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8| CHNXZKVNWQUJIB-CEGNMAFCSA-N 5284557 BRD-K00456604-001-01-7 BRD-K02475039-001-01-0 ethopabate 0 97.78 MicroSource 1505424 ETHOPABATE 237.1 CCOc1cc(NC(C)=O)ccc1C(=O)OC GOVWOKSKFSBNGD-UHFFFAOYSA-N 6034 BRD-K02475039-001-02-9 ethopabate 0 96.41 MedChemEx HY-B2138 Ethopabate 237.1 CCOc1cc(NC(C)=O)ccc1C(=O)OC GOVWOKSKFSBNGD-UHFFFAOYSA-N 6034 BRD-A99633051-001-08-8 ethosuximide 0 99.47 Sigma MFCD00072123 "4-ethyl-5-hydroxy-4-methyl-3,4-dihydro-2H-pyrrol-2-one" 141.079 "CC[C@@]1(C)CC(=O)NC1=O |&1:2,r|" HAPOVYFOVVWLRS-ZETCQYMHSA-N 10630591 BRD-A99633051-001-07-0 ethosuximide 0 75.49 MicroSource 1502196 ETHOSUXIMIDE 141.079 "CC[C@@]1(C)CC(=O)NC1=O |&1:2,r|" HAPOVYFOVVWLRS-ZETCQYMHSA-N 10630591 BRD-A30205217-001-11-2 ethotoin 0 83.77 MicroSource 1505428 ETHOTOIN 204.09 CCN1C(=O)N[C@@H](C1=O)c1ccccc1 |r| SZQIFWWUIBRPBZ-SECBINFHSA-N 12309784 BRD-A30205217-001-12-0 ethotoin 0 97.23 AMS A001578171 "3-ethyl-5-phenyl-2,4-imidazolidinedione" 204.09 CCN1C(=O)N[C@@H](C1=O)c1ccccc1 |r| SZQIFWWUIBRPBZ-SECBINFHSA-N 12309784 BRD-K56792340-001-14-9 ethoxyquin 0 93.42 MedChemEx HY-B1425 Ethoxyquin 217.147 CCOc1ccc2NC(C)(C)C=C(C)c2c1 |t:11| DECIPOUIJURFOJ-UHFFFAOYSA-N 3293 BRD-K56792340-001-13-2 ethoxyquin 0 42.49 Prestwick Prestw-765 Ethoxyquin 217.147 CCOc1ccc2NC(C)(C)C=C(C)c2c1 |t:11| DECIPOUIJURFOJ-UHFFFAOYSA-N 3293 BRD-K18131774-001-18-4 ethoxzolamide 0 83.88 MicroSource 1505426 ETHOXZOLAMIDE 258.013 CCOc1ccc2nc(sc2c1)S(N)(=O)=O OUZWUKMCLIBBOG-UHFFFAOYSA-N 3295 BRD-K18131774-001-17-6 ethoxzolamide 0 96.7 Selleck S4326 Ethoxzolamide 258.013 CCOc1ccc2nc(sc2c1)S(N)(=O)=O OUZWUKMCLIBBOG-UHFFFAOYSA-N 3295 BRD-K21892374-001-01-6 ethyl-2-(carbamoyloxy)benzoate 0 0 Enamine Z2306534743 ethyl 2-[(aminocarbonyl)oxy]benzoate 209.069 CCOC(=O)c1ccccc1OC(N)=O JFMIIMPCFQKAAD-UHFFFAOYSA-N 145917 BRD-K02464583-001-03-9 ethyl-paraben 0 88.85 MedChemEx HY-B0934 Ethylparaben 166.063 CCOC(=O)c1ccc(O)cc1 NUVBSKCKDOMJSU-UHFFFAOYSA-N 8434 BRD-K02464583-001-02-2 ethyl-paraben 0 99.39 MicroSource 1400151 ETHYL PARABEN 166.063 CCOC(=O)c1ccc(O)cc1 NUVBSKCKDOMJSU-UHFFFAOYSA-N 8434 BRD-K47738867-001-01-5 ethyl-pyruvate 0 0 Sigma W245735 ethyl 2-oxopropanoate 116.047 CCOC(=O)C(O)=C PSYUBHDPOIZRST-UHFFFAOYSA-N 11228779 BRD-K82104468-001-08-9 ethyl-vanillin 0 96.99 MedChemEx HY-B0940 Ethylvanillin 166.063 CCOc1cc(C=O)ccc1O CBOQJANXLMLOSS-UHFFFAOYSA-N 8467 BRD-K82104468-001-05-0 ethyl-vanillin 0 97.9 MicroSource 1503887 ETHYL VANILLIN 166.063 CCOc1cc(C=O)ccc1O CBOQJANXLMLOSS-UHFFFAOYSA-N 8467 BRD-K82603084-408-01-1 ethylenediaminetetraacetic-acid 0 100 MicroSource 1500270 ETHYLENEDIAMINE TETRACETATE TETRA-ETHANOLAMINE 292.091 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O KCXVZYZYPLLWCC-UHFFFAOYSA-N 6049 BRD-K82603084-001-04-9 ethylenediaminetetraacetic-acid 0 0 MedChemEx HY-Y0682 Ethylenediaminetetraacetic acid 292.091 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O KCXVZYZYPLLWCC-UHFFFAOYSA-N 6049 BRD-A68509429-003-03-9 ethylnorepinephrine 0 95.14 MicroSource 1504088 ETHYLNOREPINEPHRINE HYDROCHLORIDE 197.105 "CC[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1 |&1:2,&2:4|" LENNRXOJHWNHSD-XCBNKYQSSA-N 25271661 BRD-K46331928-001-09-9 ethynodiol-diacetate 0 84.02 MedChemEx HY-B1089 Ethynodiol (diacetate) 384.23 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1 |c:29| ONKUMRGIYFNPJW-KIEAKMPYSA-N 9270 BRD-K46331928-001-05-8 ethynodiol-diacetate 0 96.02 MicroSource 1505979 ETHYNODIOL DIACETATE 384.23 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1 |c:29| ONKUMRGIYFNPJW-KIEAKMPYSA-N 9270 BRD-K46331928-001-06-6 ethynodiol-diacetate 0 99.51 Selleck S3160 Ethynodiol diacetate 384.23 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1 |c:29| ONKUMRGIYFNPJW-KIEAKMPYSA-N 9270 BRD-K46331928-001-08-2 ethynodiol-diacetate 0 0 Selleck S3160 Ethynodiol diacetate 384.23 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1 |c:29| ONKUMRGIYFNPJW-KIEAKMPYSA-N 9270 BRD-K06056310-001-01-4 BRD-K00003207-001-01-9 ethynylcytidine 0 88.5 MedChemEx HY-16200 Ethynylcytidine 267.086 Nc1ccn([C@@H]2O[C@H](CO)[C@](O)(C#C)[C@H]2O)c(=O)n1 JFIWEPHGRUDAJN-DYUFWOLASA-N 176885 BRD-K50417881-003-18-9 eticlopride 0 98.13 Tocris 1847 Eticlopride hydrochloride 340.155 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC AADCDMQTJNYOSS-LBPRGKRZSA-N 57267 BRD-K50417881-003-17-4 eticlopride 0 97.96 Tocris 1847 Eticlopride hydrochloride 340.155 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC AADCDMQTJNYOSS-LBPRGKRZSA-N 57267 BRD-K37949327-304-06-1 etidronic-acid 1 0 MicroSource 1505537 ETIDRONATE DISODIUM 205.975 CC(O)(P(O)(O)=O)P(O)(O)=O DBVJJBKOTRCVKF-UHFFFAOYSA-N 3305 BRD-K37949327-001-09-9 etidronic-acid 1 100 MedChemEx HY-B0302 Etidronic acid 205.975 CC(O)(P(O)(O)=O)P(O)(O)=O DBVJJBKOTRCVKF-UHFFFAOYSA-N 3305 BRD-K37949327-001-07-1 etidronic-acid 1 0 Selleck S1857 Etidronate (Didronel) 205.975 CC(O)(P(O)(O)=O)P(O)(O)=O DBVJJBKOTRCVKF-UHFFFAOYSA-N 3305 BRD-K37949327-001-06-3 etidronic-acid 1 0 Selleck S1857 Etidronate (Didronel) 205.975 CC(O)(P(O)(O)=O)P(O)(O)=O DBVJJBKOTRCVKF-UHFFFAOYSA-N 3305 BRD-K63979671-001-11-9 etifenin 0 90.72 CombiBlocks QF-7906 "N-(2,6-Diethylphenylcarbamoylmethyl)iminodiacetic acid" 322.153 CCc1cccc(CC)c1NC(=O)CN(CC(O)=O)CC(O)=O WNIDXAKKFOKNEF-UHFFFAOYSA-N 170344 BRD-K63979671-001-10-1 etifenin 0 46.68 Prestwick Prestw-504 Etifenin 322.153 CCc1cccc(CC)c1NC(=O)CN(CC(O)=O)CC(O)=O WNIDXAKKFOKNEF-UHFFFAOYSA-N 170344 BRD-K01826330-001-01-9 etifoxine 0 98.68 MedChemEx HY-16579A Etifoxine 300.103 "CCNC1=Nc2ccc(Cl)cc2[C@@](C)(O1)c1ccccc1 |&1:12,r,t:3|" IBYCYJFUEJQSMK-KRWDZBQOSA-N 135564604 BRD-A09925278-003-05-6 etilefrine 0 88.17 Prestwick Prestw-1017 Etilefrine hydrochloride 181.11 CCNCC(O)c1cccc(O)c1 SQVIAVUSQAWMKL-UHFFFAOYSA-N 164652 BRD-K90982969-003-01-8 etilevodopa 0 71.67 Enamine Z756916070 225.1 CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 NULMGOSOSZBEQL-QMMMGPOBSA-N 170345 BRD-K90982969-001-01-2 etilevodopa 0 95.55 Sigma SML0091 "ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate" 225.1 CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 NULMGOSOSZBEQL-QMMMGPOBSA-N 170345 BRD-K68232413-001-02-9 etizolam 0 97.53 MedChemEx HY-B0677 Etizolam 342.071 CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl |c:16| VMZUTJCNQWMAGF-UHFFFAOYSA-N 3307 BRD-K68232413-001-01-2 etizolam 0 99.78 MedChemEx HY-B0677 Etizolam 342.071 CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl |c:16| VMZUTJCNQWMAGF-UHFFFAOYSA-N 3307 BRD-A74667430-001-25-1 etodolac 0 97.85 Selleck S1328 Etodolac 287.152 "CCc1cccc2c3CCO[C@@](CC)(CC(O)=O)c3[nH]c12 |&1:11,r|" NNYBQONXHNTVIJ-KRWDZBQOSA-N 688461 BRD-K36911961-001-01-6 BRD-A74667430-001-23-6 etodolac 0 99.16 MicroSource 1501005 ETODOLAC 287.152 "CCc1cccc2c3CCO[C@@](CC)(CC(O)=O)c3[nH]c12 |&1:11,r|" NNYBQONXHNTVIJ-KRWDZBQOSA-N 688461 BRD-A74667430-001-26-9 etodolac 0 96.34 Tocris 3871 Etodolac 287.152 "CCc1cccc2c3CCO[C@@](CC)(CC(O)=O)c3[nH]c12 |&1:11,r|" NNYBQONXHNTVIJ-KRWDZBQOSA-N 688461 BRD-K73541271-001-03-6 etofenamate 0 97.04 MedChemEx HY-17361 Etofenamate 369.119 OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F XILVEPYQJIOVNB-UHFFFAOYSA-N 35375 BRD-K73541271-001-04-9 etofenamate 0 98.02 MedChemEx HY-17361 Etofenamate 369.119 OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F XILVEPYQJIOVNB-UHFFFAOYSA-N 35375 BRD-K49338325-001-03-4 etofibrate 0 95.38 Selleck S4264 Etofibrate 363.087 CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1 XXRVYAFBUDSLJX-UHFFFAOYSA-N 65777 BRD-K83064458-001-24-9 etofylline 0 98.19 MedChemEx HY-B1209 Etofylline 224.091 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O NWPRCRWQMGIBOT-UHFFFAOYSA-N 1892 BRD-K83064458-001-23-0 etofylline 0 98.82 Enzo AC627 7-(b-Hydroxyethyl)theophylline 224.091 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O NWPRCRWQMGIBOT-UHFFFAOYSA-N 1892 BRD-K49840922-001-05-1 etofylline-clofibrate 0 99.43 Enamine Z51093246 420.12 Cn1c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2c(=O)n(C)c1=O KYAKGJDISSNVPZ-UHFFFAOYSA-N 41109 BRD-K49840922-001-06-9 etofylline-clofibrate 0 96.59 SantaCruz sc-337840A Etofylline clofibrate 420.12 Cn1c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2c(=O)n(C)c1=O KYAKGJDISSNVPZ-UHFFFAOYSA-N 41109 BRD-K55055802-001-09-4 etomidate 0 17.23 MicroSource 1505599 ETOMIDATE 244.121 CCOC(=O)c1cncn1[C@H](C)c1ccccc1 NPUKDXXFDDZOKR-LLVKDONJSA-N 667484 BRD-K55055802-001-10-2 etomidate 0 95.99 Selleck S1329 Etomidate 244.121 CCOC(=O)c1cncn1[C@H](C)c1ccccc1 NPUKDXXFDDZOKR-LLVKDONJSA-N 667484 BRD-A54880345-001-20-9 BRD-K55055802-001-08-6 etomidate 0 94.92 Tocris 1471 Etomidate 244.121 CCOC(=O)c1cncn1[C@H](C)c1ccccc1 NPUKDXXFDDZOKR-LLVKDONJSA-N 667484 BRD-K32405725-001-02-8 etomoxir 0 98.66 MedChemEx HY-50202 Etomoxir 326.128 CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 DZLOHEOHWICNIL-QGZVFWFLSA-N 9840324 BRD-K00003655-001-01-9 etonogestrel 0 76.12 MedChemEx HY-B0652 Etonogestrel 324.209 [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:23| GCKFUYQCUCGESZ-BPIQYHPVSA-N 6917715 BRD-K37798499-001-24-9 etoposide 0 92.06 Tocris 1226 Etoposide 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-K37798499-001-25-6 etoposide 0 99.86 MedChemEx HY-13629 etoposide 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-K37798499-001-18-1 etoposide 0 82.35 Selleck S1225 Etoposide (VP-16);Etoposide 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-K37798499-001-27-2 etoposide 0 97.77 MicroSource 1500903 ETOPOSIDE 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-A33280134-001-04-7 BRD-K37798499-001-22-3 etoposide 0 77 Selleck S1225 Etoposide 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-K36186323-001-01-8 BRD-K37798499-001-21-5 etoposide 0 80.82 Tocris 1226 Etoposide 588.184 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 VJJPUSNTGOMMGY-MRVIYFEKSA-N 36462 BRD-A26175277-001-02-9|BRD-A35357953-001-01-5 BRD-K72533376-001-01-2 etoposide-phosphate 0 94.37 ChemImpex 28305 "4-[(5R,5aR,8aR,9S)-9-({4,6-O-[(1R)-ethylidene]-beta-D-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-2,6-dimethoxyphenyl dihydrogen phosphate" 668.151 COc1cc(cc(OC)c1OP(O)(O)=O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 LIQODXNTTZAGID-OCBXBXKTSA-N 6918092 BRD-K54770957-001-04-3 etoricoxib 0 99.25 MedChemEx HY-15321 Etoricoxib 358.054 Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O MNJVRJDLRVPLFE-UHFFFAOYSA-N 123619 BRD-K60914966-001-01-4 etosalamide 0 95.92 MicroSource 1503888 ETOSALAMIDE 209.105 CCOCCOc1ccccc1C(N)=O XBNRCMFFZFCWMH-UHFFFAOYSA-N 208946 BRD-K60914966-001-02-9 etosalamide 0 90.7 MedChemEx HY-B1015 Etosalamide 209.105 CCOCCOc1ccccc1C(N)=O XBNRCMFFZFCWMH-UHFFFAOYSA-N 208946 BRD-K51364817-001-01-4 etoxybamide 0 69.8 Sigma PH008175 4-hydroxy-N-(2-hydroxyethyl)butanamide 147.09 OCCCC(=O)NCCO MFHPPMMWHSHDSI-UHFFFAOYSA-N 522232 BRD-K15858023-001-02-9 ETP-45658 0 94.87 Tocris 4702 ETP 45658 311.138 Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1 BJVRNXSHJLDZJR-UHFFFAOYSA-N 25229608 BRD-K15858023-001-01-0 ETP-45658 0 97.88 Tocris 4702 ETP 45658 311.138 Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1 BJVRNXSHJLDZJR-UHFFFAOYSA-N 25229608 BRD-K24556407-001-02-3 ETP-46464 0 97.39 Selleck S8050 ETP-46464 470.174 CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1 DPLMXAYKJZOTKO-UHFFFAOYSA-N 72199292 BRD-K24556407-001-01-5 ETP-46464 0 CNIO ETP 470.174 CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1 "InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3" 72199292 BRD-K00004658-001-01-9 etrabamine 0 100 Enamine EN300-1268571 "N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine" 168.072 "CN[C@H]1CCc2ncsc2C1 |&1:2,r|" YDSVAKPJAOSZJA-LURJTMIESA-N 92274373 BRD-K00003139-001-01-9 etrasimod 0 95.59 MedChemEx HY-12789 Etrasimod 457.186 OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 MVGWUTBTXDYMND-QGZVFWFLSA-N 44623998 BRD-K74717603-001-03-9 etravirine 0 97.45 MedChemEx HY-90005 Etravirine 434.049 Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N PYGWGZALEOIKDF-UHFFFAOYSA-N 193962 BRD-K74717603-001-02-2 etravirine 0 92.21 Selleck S3080 Etravirine (TMC125) 434.049 Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N PYGWGZALEOIKDF-UHFFFAOYSA-N 193962 BRD-K49076555-001-05-6 etretinate 0 87.97 MedChemEx HY-B0797 Etretinate 354.219 CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C HQMNCQVAMBCHCO-DJRRULDNSA-N 5282375 BRD-K49076555-001-03-1 etretinate 0 44.02 MedChemEx HY-B0797 "ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate" 354.219 CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C HQMNCQVAMBCHCO-DJRRULDNSA-N 5282375 BRD-K49076555-001-01-5 etretinate 0 54.9 Prestwick Prestw-1409 Etretinate 354.219 CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C HQMNCQVAMBCHCO-DJRRULDNSA-N 5282375 BRD-K49076555-001-04-9 etretinate 0 47.98 MedChemEx HY-B0797 Etretinate 354.219 CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C HQMNCQVAMBCHCO-DJRRULDNSA-N 5282375 BRD-K29996876-001-10-1 eucalyptol 0 0 MicroSource 1500294 EUCALYPTOL 154.136 CC12CCC(CC1)C(C)(C)O2 WEEGYLXZBRQIMU-UHFFFAOYSA-N 2758 BRD-K15671046-001-03-6 BRD-K29996876-001-09-3 eucalyptol 0 0 AMS A001464384 "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane" 154.136 CC12CCC(CC1)C(C)(C)O2 WEEGYLXZBRQIMU-UHFFFAOYSA-N 2758 BRD-A37942872-001-21-9 eucatropine 0 46.92 AMS A001585243 Eucatropine 291.183 "C[C@H]1C[C@@H](CC(C)(C)N1C)OC(=O)[C@@H](O)c1ccccc1 |&1:1,&2:3,&3:13|" QSAVEGSLJISCDF-QEJZJMRPSA-N 42105272 BRD-A37942872-003-20-6 eucatropine 0 54.26 Prestwick Prestw-794 Eucatropine hydrochloride 291.183 "C[C@H]1C[C@@H](CC(C)(C)N1C)OC(=O)[C@@H](O)c1ccccc1 |&1:1,&2:3,&3:13|" QSAVEGSLJISCDF-QEJZJMRPSA-N 42105272 BRD-K32977963-001-05-0 eugenol 0 92.11 MicroSource 1500296 EUGENOL 164.084 COc1cc(CC=C)ccc1O RRAFCDWBNXTKKO-UHFFFAOYSA-N 3314 BRD-K32977963-001-10-9 eugenol 0 47.4 MedChemEx HY-N0337 Eugenol 164.084 COc1cc(CC=C)ccc1O RRAFCDWBNXTKKO-UHFFFAOYSA-N 3314 BRD-K19741031-001-02-2 EUK-134 1 59.9 Selleck S4261 EUK 134 416.034 "COc1cccc2C=[N+]3CC[N+]4=Cc5cccc(OC)c5O[Mn]34(Cl)Oc12 |t:7,11|" QCAWBJDECIOVBU-GAMUHHASSA-K BRD-U78472365-000-01-0 BRD-K19741031-001-01-4 EUK-134 1 0 Selleck S4261 EUK 134 416.034 "COc1cccc2C=[N+]3CC[N+]4=Cc5cccc(OC)c5O[Mn]34(Cl)Oc12 |t:7,11|" QCAWBJDECIOVBU-GAMUHHASSA-K BRD-U78671345-000-01-2 BRD-K19741031-001-03-0 EUK-134 1 0 Selleck S4261 EUK 134 416.034 "COc1cccc2C=[N+]3CC[N+]4=Cc5cccc(OC)c5O[Mn]34(Cl)Oc12 |t:7,11|" QCAWBJDECIOVBU-GAMUHHASSA-K BRD-K47031502-001-02-4 eupatilin 0 94.26 MedChemEx HY-N0783 Eupatilin 344.09 COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 DRRWBCNQOKKKOL-UHFFFAOYSA-N 5273755 BRD-K47031502-001-01-6 eupatilin 0 80.03 Astatech SC3971 344.09 COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 DRRWBCNQOKKKOL-UHFFFAOYSA-N 5273755 BRD-K16551357-001-04-9 evacetrapib 0 63.87 MedChemEx HY-13327 Evacetrapib 638.28 Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 IHIUGIVXARLYHP-YBXDKENTSA-N BRD-K16551357-001-02-4 evacetrapib 0 0.3 Selleck S2925 Evacetrapib (LY2484595) 638.28 Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 IHIUGIVXARLYHP-YBXDKENTSA-N BRD-K16551357-001-03-2 evacetrapib 0 94.86 Selleck S2925 Evacetrapib (LY2484595) 638.28 Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 IHIUGIVXARLYHP-YBXDKENTSA-N BRD-K24548560-342-02-1 evans-blue 0 92.8 MicroSource 1300017 EVANS BLUE 872.055 "Cc1cc(ccc1NN=C1C=Cc2c(cc(c(N)c2C1=O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(NN=C2C=Cc3c(cc(c(N)c3C2=O)S(O)(=O)=O)S(O)(=O)=O)c(C)c1 |c:11,39|" LIRUWPZKVZZTHC-UHFFFAOYSA-N 6804600 BRD-K24548560-342-03-9 evans-blue 0 85.53 Tocris 845 Evans Blue tetrasodium salt 872.055 "Cc1cc(ccc1NN=C1C=Cc2c(cc(c(N)c2C1=O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(NN=C2C=Cc3c(cc(c(N)c3C2=O)S(O)(=O)=O)S(O)(=O)=O)c(C)c1 |c:11,39|" LIRUWPZKVZZTHC-UHFFFAOYSA-N 6804600 BRD-K11452913-001-01-9 evatanepag 0 96.84 MedChemEx HY-14839 Evatanepag 468.172 CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1 WOHRHWDYFNWPNG-UHFFFAOYSA-N 9890801 BRD-K00004688-001-01-9 evenamide 0 87.12 Astatech F50592 "2-((3-BUTOXYPHENETHYL)AMINO)-N,N-DIMETHYLACETAMIDE" 278.199 CCCCOc1cccc(CCNCC(=O)N(C)C)c1 GRHBODILPPXVKN-UHFFFAOYSA-N 25105689 BRD-K13514097-001-09-9 everolimus 0 82.99 Tocris 6188 Everolimus 957.581 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO |c:14,33,t:29,31|" HKVAMNSJSFKALM-FLOWVUKKSA-N BRD-K13514097-001-04-6 everolimus 0 95.59 Selleck S1120 Everolimus 957.581 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO |c:14,33,t:29,31|" HKVAMNSJSFKALM-FLOWVUKKSA-N BRD-K13154216-001-03-9 BRD-K13514097-001-05-3 everolimus 0 91.39 Selleck S1120 Everolimus (RAD001) 957.581 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO |c:14,33,t:29,31|" HKVAMNSJSFKALM-FLOWVUKKSA-N BRD-K13154216-001-01-3 BRD-K00003405-001-01-9 evobrutinib 0 97.4 MedChemEx HY-101215 Evobrutinib 429.216 Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 QUIWHXQETADMGN-UHFFFAOYSA-N 71479709 BRD-K00003250-001-01-9 evocalcet 0 96.3 MedChemEx HY-17613 Evocalcet 374.199 C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 RZNUIYPHQFXBAN-XLIONFOSSA-N 71242808 BRD-A68631409-001-05-4 evodiamine 0 77.71 Selleck S2382 Evodiamine 303.137 "CN1[C@H]2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 |&1:2,r|" TXDUTHBFYKGSAH-SFHVURJKSA-N 442088 BRD-A68631409-001-06-2 evodiamine 0 99 Selleck S2382 Evodiamine (Isoevodiamine) 303.137 "CN1[C@H]2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 |&1:2,r|" TXDUTHBFYKGSAH-SFHVURJKSA-N 442088 BRD-K71603915-003-01-8 EVP-6124 0 95.74 MedChemEx HY-15430A EVP-6124 (hydrochloride) 320.075 Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 SSRDSYXGYPJKRR-ZDUSSCGKSA-N 46196517 BRD-K71603915-003-02-9 EVP-6124 0 94.38 MedChemEx HY-15430A Encenicline hydrochloride 320.075 Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 SSRDSYXGYPJKRR-ZDUSSCGKSA-N 46196517 BRD-K68395654-001-06-4 EVP4593 0 87.46 MedChemEx HY-13812 QNZ 356.164 Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 IBAKVEUZKHOWNG-UHFFFAOYSA-N 509554 BRD-K68395654-001-03-1 EVP4593 0 77.11 Selleck S4902 QNZ (EVP4593) 356.164 Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 IBAKVEUZKHOWNG-UHFFFAOYSA-N 509554 BRD-K68395654-001-05-6 EVP4593 0 8.13 Selleck S4902 QNZ (EVP4593) 356.164 Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 IBAKVEUZKHOWNG-UHFFFAOYSA-N 509554 BRD-K74396648-001-01-4 EW-7197 0 89.86 Selleck S7530 EW-7197 399.161 Cc1cccc(n1)-c1nc(CNc2ccccc2F)[nH]c1-c1ccc2ncnn2c1 FJCDSQATIJKQKA-UHFFFAOYSA-N 54766013 BRD-A73908300-001-09-1 EX-527 0 94.26 Selleck S1541 EX 527 248.072 "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |&1:3,r|" FUZYTVDVLBBXDL-VIFPVBQESA-N 707029 BRD-A73908300-001-06-7 EX-527 0 89.2 Selleck S1541 EX 527 (Selisistat) 248.072 "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |&1:3,r|" FUZYTVDVLBBXDL-VIFPVBQESA-N 707029 BRD-K12609457-001-03-1 exalamide 0 98.99 MicroSource 1503403 EXALAMIDE 221.142 CCCCCCOc1ccccc1C(N)=O CKSJXOVLXUMMFF-UHFFFAOYSA-N 3316 BRD-K12609457-001-04-9 exalamide 0 95.17 MedChemEx HY-B1224 Exalamide 221.142 CCCCCCOc1ccccc1C(N)=O CKSJXOVLXUMMFF-UHFFFAOYSA-N 3316 BRD-K35304636-001-01-0 examorelin 0 85.7 Sigma 80666 "(S)-2-((2R,5S,8S,11R,14S)-5-((1H-indol-3-yl)methyl)-14-amino-2-benzyl-15-(1H-imidazol-5-yl)-8-methyl-11-((2-methyl-1H-indol-3-yl)methyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-6-aminohex;anamide" 886.46 C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O RVWNMGKSNGWLOL-GIIHNPQRSA-N 6918297 BRD-K92150287-066-02-0 exatecan-mesylate 0 86.47 MedChemEx HY-13631A Exatecan (Mesylate) 435.159 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](N)c(c3Cn1c2=O)c45 ZVYVPGLRVWUPMP-FYSMJZIKSA-N 151115 BRD-K92150287-066-01-2 exatecan-mesylate 0 87.61 MedChemEx HY-13631A Exatecan (Mesylate) 435.159 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](N)c(c3Cn1c2=O)c45 ZVYVPGLRVWUPMP-FYSMJZIKSA-N 151115 BRD-K92150287-066-03-9 exatecan-mesylate 0 91.3 MedChemEx HY-13631A Exatecan (Mesylate) 435.159 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](N)c(c3Cn1c2=O)c45 ZVYVPGLRVWUPMP-FYSMJZIKSA-N 151115 BRD-K33425534-001-10-9 exemestane 0 85.03 Tocris 3759 Exemestane 296.178 "C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:13,t:9|" BFYIZQONLCFLEV-DAELLWKTSA-N 60198 BRD-K33425534-001-12-5 exemestane 0 98.07 MicroSource 1505012 EXEMESTANE 296.178 "C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:13,t:9|" BFYIZQONLCFLEV-DAELLWKTSA-N 60198 BRD-A73741725-001-02-8 BRD-K33425534-001-11-7 exemestane 0 94.7 Selleck S1196 Exemestane 296.178 "C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:13,t:9|" BFYIZQONLCFLEV-DAELLWKTSA-N 60198 BRD-K93923542-001-02-7|BRD-K35247444-001-01-3 BRD-K00003559-001-01-9 exenatide 0 79.7 MedChemEx HY-13443 Exendin-4 4184.027 [H]N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| HTQBXNHDCUEHJF-XWLPCZSASA-N 91935542 BRD-K81795818-019-02-9 exherin 0 75.49 MedChemEx HY-13541A ADH-1 trifluoroacetate 570.204 CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(C)=O FQVLRGLGWNWPSS-XDKAFHOCSA-N BRD-K81795818-019-01-4 exherin 0 94.47 MedChemEx HY-13541A Exherin (trifluoroacetate) 570.204 CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(C)=O FQVLRGLGWNWPSS-XDKAFHOCSA-N BRD-K65716359-001-04-7 exifone 0 95.11 Sigma MFCD00082966 "(2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone" 278.043 Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O XEDWWPGWIXPVRQ-UHFFFAOYSA-N 40399 BRD-K65716359-001-02-1 exifone 0 83.42 Enzo AC1540 Exifone 278.043 Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O XEDWWPGWIXPVRQ-UHFFFAOYSA-N 40399 BRD-K37708699-001-01-4 exisulind 0 96.77 LKT S8146 (Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetic acid 372.083 CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)(=O)=O |c:1| MVGSNCBCUWPVDA-MFOYZWKCSA-N 5472495 BRD-K78633253-001-11-1 EXO-1 0 99.03 Tocris 1850 Exo1 273.08 COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 KIAPWMKFHIKQOZ-UHFFFAOYSA-N 310557 BRD-K78633253-001-12-9 EXO-1 0 92.11 Tocris 1850 Exo1 273.08 COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 KIAPWMKFHIKQOZ-UHFFFAOYSA-N 310557 BRD-K78633253-001-10-3 EXO-1 0 98.16 Tocris 1850 Exo1 273.08 COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 KIAPWMKFHIKQOZ-UHFFFAOYSA-N 310557 BRD-K96155658-001-01-5 exo-IWR-1 0 91.1 Tocris 3947 exo-IWR 1 409.143 O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C1=O |c:29| ZGSXEXBYLJIOGF-BTYSMDAFSA-N 1163034 BRD-K96155658-001-02-9 exo-IWR-1 0 95.46 Tocris 3947 exo-IWR 1 409.143 O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C1=O |c:29| ZGSXEXBYLJIOGF-BTYSMDAFSA-N 1163034 BRD-K98963219-001-03-8 ezatiostat 0 88.92 MedChemEx HY-13634A Ezatiostat 529.225 CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1 GWEJFLVSOGNLSS-WPFOTENUSA-N 5310939 BRD-K98963219-001-02-0 ezatiostat 0 78.65 MedChemEx HY-13634A Ezatiostat 529.225 CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1 GWEJFLVSOGNLSS-WPFOTENUSA-N 5310939 BRD-K98963219-001-01-2 ezatiostat 0 83.15 MedChemEx HY-13634A Ezatiostat 529.225 CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1 GWEJFLVSOGNLSS-WPFOTENUSA-N 5310939 BRD-K42260897-001-08-4 ezetimibe 0 96.2 Adooq A10379 "(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone" 409.149 O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 OLNTVTPDXPETLC-XPWALMASSA-N 150311 BRD-K42260897-001-07-6 ezetimibe 0 97.97 Selleck S1655 Ezetimibe (Zetia) 409.149 O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 OLNTVTPDXPETLC-XPWALMASSA-N 150311 BRD-K42260897-001-10-9 ezetimibe 0 94.2 MedChemEx HY-17376 Ezetimibe 409.149 O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 OLNTVTPDXPETLC-XPWALMASSA-N 150311 BRD-K42260897-001-09-2 ezetimibe 0 84.03 Selleck S1655 Ezetimibe 409.149 O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 OLNTVTPDXPETLC-XPWALMASSA-N 150311 BRD-K32180660-001-01-6 BRD-K25570267-001-01-4 ezutromid 0 77.14 Vitas-M STK101977 "N-[4-(5-amino-6-methyl-2H-1,2,3-benzotriazol-2-yl)phenyl]-N,N-diethylamine" 295.18 CCN(CC)c1ccc(cc1)-n1nc2cc(C)c(N)cc2n1 WRIPKYOZKAJHRL-UHFFFAOYSA-N 886736 BRD-K87948281-001-02-9 F-11440 0 91.09 MedChemEx HY-19946 Eptapirone 345.191 Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccn2)c1=O NMYAHEULKSYAPP-UHFFFAOYSA-N 208928 BRD-K87948281-001-01-9 F-11440 0 92.26 MedChemEx HY-19946 F 11440 345.191 Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccn2)c1=O NMYAHEULKSYAPP-UHFFFAOYSA-N 208928 BRD-K00003299-001-01-9 F-16915 0 100 MedChemEx HY-19886 F 16915 419.282 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCc1cccnc1 BUWVEXMRBAWBPJ-KUBAVDMBSA-N 14671646 BRD-K41267922-001-01-4 F351 0 95.15 Carbosynth FH24467 1-(4-hydroxyphenyl)-5-methyl-2(1H)-pyridinone 201.079 Cc1ccc(=O)n(c1)-c1ccc(O)cc1 NETTXQJYJRFTFS-UHFFFAOYSA-N 11217901 BRD-K41267922-001-02-9 F351 0 95.12 Toronto H949400 N-(4-hydroxyphenyl)-5-methyl-2-1H-pyridone 201.079 Cc1ccc(=O)n(c1)-c1ccc(O)cc1 NETTXQJYJRFTFS-UHFFFAOYSA-N 11217901 BRD-A25619068-003-03-4 fadrozole 0 98.89 SantaCruz sc-252819 223.111 N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 |&1:8| CLPFFLWZZBQMAO-CQSZACIVSA-N 9815923 BRD-K61536264-001-01-3 fagomine 0 99.3 MedChemEx HY-13005 Fagomine 147.09 OC[C@H]1NCC[C@@H](O)[C@@H]1O YZNNBIPIQWYLDM-HSUXUTPPSA-N 72259 BRD-K08251020-001-02-8 falecalcitriol 0 89.51 MedChemEx HY-32342 Falecalcitriol 524.273 C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C XPYGGHVSFMUHLH-UUSULHAXSA-N 5282190 BRD-K08251020-001-01-0 falecalcitriol 0 75.5 MedChemEx HY-32342 Falecalcitriol 524.273 C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C XPYGGHVSFMUHLH-UUSULHAXSA-N 5282190 BRD-K45033733-001-12-2 famciclovir 0 99.1 MicroSource 1505201 FAMCICLOVIR 321.144 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O GGXKWVWZWMLJEH-UHFFFAOYSA-N 3324 BRD-K45033733-001-11-4 famciclovir 0 96.7 Selleck S2467 Famciclovir 321.144 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O GGXKWVWZWMLJEH-UHFFFAOYSA-N 3324 BRD-K45033733-001-14-9 famciclovir 0 97.1 MedChemEx HY-17426 Famciclovir 321.144 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O GGXKWVWZWMLJEH-UHFFFAOYSA-N 3324 BRD-K00673382-001-17-1 famotidine 0 97.26 Selleck S2078 Famotidine 337.045 NC(=N)Nc1nc(CSCC\C(N)=N/S(N)(=O)=O)cs1 XUFQPHANEAPEMJ-UHFFFAOYSA-N 5702160 BRD-K00673382-001-18-9 famotidine 0 99.08 MicroSource 1501003 FAMOTIDINE 337.045 NC(=N)Nc1nc(CSCC\C(N)=N/S(N)(=O)=O)cs1 XUFQPHANEAPEMJ-UHFFFAOYSA-N 5702160 BRD-A08255417-001-13-9 famprofazone 0 91.88 Selleck S4327 Famprofazone 377.247 "CC(C)c1c(CN(C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O |&1:8,r|" GNUXVOXXWGNPIV-IBGZPJMESA-N 6604370 BRD-A08255417-001-14-7 famprofazone 0 95.25 MicroSource 1505773 FAMPROFAZONE 377.247 "CC(C)c1c(CN(C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O |&1:8,r|" GNUXVOXXWGNPIV-IBGZPJMESA-N 6604370 BRD-A08255417-001-15-4 famprofazone 0 95.03 Selleck S4327 Famprofazone 377.247 "CC(C)c1c(CN(C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O |&1:8,r|" GNUXVOXXWGNPIV-IBGZPJMESA-N 6604370 BRD-K08998509-001-03-2 fananserin 0 93.07 Tocris 2645 "2-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide" 425.157 Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 VGIGHGMPMUCLIQ-UHFFFAOYSA-N 60785 BRD-K08998509-001-02-4 fananserin 0 80.37 Tocris 2645 Fananserin 425.157 Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 VGIGHGMPMUCLIQ-UHFFFAOYSA-N 60785 BRD-K60798049-001-03-8 fanetizole 0 94.26 Enamine Z48859353 "N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)amine" 280.103 C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1 WEEYMMXMBFJUAI-UHFFFAOYSA-N 54339 BRD-K00003465-001-01-9 fantofarone 0 96.18 MedChemEx HY-105117 Fantofarone 550.25 COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(cn3ccccc23)C(C)C)cc1OC ITAMRBIZWGDOHW-UHFFFAOYSA-N 119349 BRD-K00003507-001-01-9 farampator 0 98.96 MedChemEx HY-10937 Farampator 231.101 O=C(N1CCCCC1)c1ccc2nonc2c1 XFVRBYKKGGDPAJ-UHFFFAOYSA-N 4118151 BRD-K14590126-001-01-6 farnesyl-thiosalicylic-acid-amide 0 96.81 Cayman 13175 "2-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]sulfanyl}benzamide" 357.213 CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(N)=O GZTMFRUGZMZCRD-CFBAGHHKSA-N 25187973 BRD-A49622760-001-01-9 faropenem 0 98.06 Astatech 41111 285.067 "C[C@@H](O)[C@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(O)=O |&1:1,&2:3,&3:4,&4:7,r,c:12|" HGGAKXAHAYOLDJ-OJKLQORTSA-N 14659032 BRD-K59045783-001-03-7 faropenem-medoxomil 0 82.42 MedChemEx HY-10004 Faropenem daloxate 397.083 C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(=O)OCc1oc(=O)oc1C |c:12| JQBKWZPHJOEQAO-DVPVEWDBSA-N 6918218 BRD-K59045783-001-02-9 faropenem-medoxomil 0 80.71 MedChemEx HY-10004 Faropenem daloxate 397.083 C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(=O)OCc1oc(=O)oc1C |c:12| JQBKWZPHJOEQAO-DVPVEWDBSA-N 6918218 BRD-K59045783-001-01-1 faropenem-medoxomil 0 81.02 MedChemEx HY-10004 Faropenem daloxate 397.083 C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(=O)OCc1oc(=O)oc1C |c:12| JQBKWZPHJOEQAO-DVPVEWDBSA-N 6918218 BRD-K00004571-001-01-9 fasoracetam 0 92.33 Astatech 40951 FASORACETAM 196.121 O=C([C@H]1CCC(=O)N1)N1CCCCC1 GOWRRBABHQUJMX-MRVPVSSYSA-N 198695 BRD-K76617868-001-05-5 fasudil 0 97.58 MicroSource 1502366 FASUDIL HYDROCHLORIDE 291.104 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 NGOGFTYYXHNFQH-UHFFFAOYSA-N 3547 BRD-K76617868-003-15-9 fasudil 0 98.21 Tocris 541 Fasudil hydrochloride 291.104 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 NGOGFTYYXHNFQH-UHFFFAOYSA-N 3547 BRD-K76617868-003-10-1 fasudil 0 97.53 Selleck S1573 Fasudil (HA-1077) HCl 291.104 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 NGOGFTYYXHNFQH-UHFFFAOYSA-N 3547 BRD-K76617868-003-14-3 fasudil 0 98.59 Tocris 541 Fasudil hydrochloride 291.104 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 NGOGFTYYXHNFQH-UHFFFAOYSA-N 3547 BRD-K76617868-003-11-9 fasudil 0 97.81 Tocris 541 Fasudil hydrochloride 291.104 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 NGOGFTYYXHNFQH-UHFFFAOYSA-N 3547 BRD-K04264130-001-01-4 favipiravir 0 95.67 AdvChemBlocks F-4501 6-fluoro-3-hydroxypyrazine-2-carboxamide 157.029 NC(=O)c1nc(F)c[nH]c1=O ZCGNOVWYSGBHAU-UHFFFAOYSA-N 492405 BRD-K00004537-001-01-9 FCE-22250 0 68.34 Vitas-M STK177296 FCE 22250 834.405 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N=C\N4CCCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:34,t:3,36|" JEGGQYICWGMXOZ-KLZPLVFYSA-N BRD-K18157228-001-01-7 fdcyd 0 94.9 SantaCruz sc-252267 245.081 Nc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](CO)O1 IDYKCXHJJGMAEV-RRKCRQDMSA-N 515328 BRD-K00004566-001-01-9 febuprol 0 93.98 Sigma MFCD00867165 1-butoxy-3-phenoxy-2-propanol 224.141 "CCCCOC[C@@H](O)COc1ccccc1 |&1:6,r|" WBLXZPHICYCDGN-GFCCVEGCSA-N 36688222 BRD-K48367671-001-08-9 febuxostat 0 97.16 Tocris 4427 Febuxostat 316.088 CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O BQSJTQLCZDPROO-UHFFFAOYSA-N 134018 BRD-K48367671-001-07-5 febuxostat 0 96.04 Tocris 4427 Febuxostat 316.088 CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O BQSJTQLCZDPROO-UHFFFAOYSA-N 134018 BRD-K48367671-001-06-7 febuxostat 0 92.92 MicroSource 1504286 FEBUXOSTAT 316.088 CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O BQSJTQLCZDPROO-UHFFFAOYSA-N 134018 BRD-K48367671-001-05-9 febuxostat 0 98.36 Selleck S1547 Febuxostat 316.088 CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O BQSJTQLCZDPROO-UHFFFAOYSA-N 134018 BRD-K12502280-001-11-4 fedratinib 0 91.26 Selleck S2736 "Fedratinib (SAR302503, TG101348)" 524.257 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C JOOXLOJCABQBSG-UHFFFAOYSA-N 16722836 BRD-K12502280-001-08-0 fedratinib 0 84.28 Selleck S2736 TG101348 (SAR302503) 524.257 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C JOOXLOJCABQBSG-UHFFFAOYSA-N 16722836 BRD-K99107520-001-27-4 felbamate 0 81.55 Tocris 869 Felbamate 238.095 NC(=O)OCC(COC(N)=O)c1ccccc1 WKGXYQFOCVYPAC-UHFFFAOYSA-N 3331 BRD-K99107520-001-29-9 felbamate 0 100 Tocris 869 Felbamate 238.095 NC(=O)OCC(COC(N)=O)c1ccccc1 WKGXYQFOCVYPAC-UHFFFAOYSA-N 3331 BRD-K99107520-001-24-1 felbamate 0 94.42 Tocris 869 Felbamate 238.095 NC(=O)OCC(COC(N)=O)c1ccccc1 WKGXYQFOCVYPAC-UHFFFAOYSA-N 3331 BRD-K99107520-001-25-8 felbamate 0 94.7 Selleck S1330 Felbamate 238.095 NC(=O)OCC(COC(N)=O)c1ccccc1 WKGXYQFOCVYPAC-UHFFFAOYSA-N 3331 BRD-K99107520-001-23-3 felbamate 0 87.24 Selleck S1330 Felbamate 238.095 NC(=O)OCC(COC(N)=O)c1ccccc1 WKGXYQFOCVYPAC-UHFFFAOYSA-N 3331 BRD-K91740057-001-21-9 felbinac 0 98.67 MedChemEx HY-B0641 Felbinac 212.084 OC(=O)Cc1ccc(cc1)-c1ccccc1 QRZAKQDHEVVFRX-UHFFFAOYSA-N 3332 BRD-K91740057-001-19-8 felbinac 0 99.79 MicroSource 1506160 FELBINAC 212.084 OC(=O)Cc1ccc(cc1)-c1ccccc1 QRZAKQDHEVVFRX-UHFFFAOYSA-N 3332 BRD-K26404903-001-01-5 felbinac-ethyl 0 47.98 AMS A000379137 "ethyl [1,1'-biphenyl]-4-ylacetate" 240.115 CCOC(=O)Cc1ccc(cc1)-c1ccccc1 NPPJLSILDPVHCM-UHFFFAOYSA-N 26436 BRD-A30815329-001-12-1 felodipine 0 94.24 Tocris 2960 Felodipine 383.069 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)C(=O)OC |&1:12,r,c:5,10|" RZTAMFZIAATZDJ-HNNXBMFYSA-N 941699 BRD-A30815329-001-10-5 felodipine 0 98.85 MicroSource 1505887 FELODIPINE 383.069 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)C(=O)OC |&1:12,r,c:5,10|" RZTAMFZIAATZDJ-HNNXBMFYSA-N 941699 BRD-A30815329-001-08-9 felodipine 0 97.95 Selleck S1885 Felodipine 383.069 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)C(=O)OC |&1:12,r,c:5,10|" RZTAMFZIAATZDJ-HNNXBMFYSA-N 941699 BRD-K00003319-001-01-9 felypressin 0 82.6 MedChemEx HY-A0182 Felypressin 1039.437 [H][C@@]1(Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O SFKQVVDKFKYTNA-HLQBGFAYSA-N BRD-K08791496-001-01-0 fenaclon 0 88.3 MicroSource 1503901 FENACLON 211.076 ClCCC(=O)NCCc1ccccc1 BITWVVLBVUMFHU-UHFFFAOYSA-N 9376 BRD-K08791496-001-02-9 fenaclon 0 89.95 Enamine EN300-57073 3-chloro-N-(2-phenylethyl)propanamide 211.076 ClCCC(=O)NCCc1ccccc1 BITWVVLBVUMFHU-UHFFFAOYSA-N 9376 BRD-K51318897-001-14-6 fenbendazole 0 97.19 Selleck S2468 Fenbendazole 299.073 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 HDDSHPAODJUKPD-UHFFFAOYSA-N 3334 BRD-K51318897-001-15-3 fenbendazole 0 98.69 MicroSource 1501016 FENBENDAZOLE 299.073 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 HDDSHPAODJUKPD-UHFFFAOYSA-N 3334 BRD-K12513978-001-26-9 fenbufen 0 97.35 MedChemEx HY-B1138 Fenbufen 254.094 OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 ZPAKPRAICRBAOD-UHFFFAOYSA-N 3335 BRD-K12513978-001-24-1 fenbufen 0 99.5 MicroSource 1501008 FENBUFEN 254.094 OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 ZPAKPRAICRBAOD-UHFFFAOYSA-N 3335 BRD-K01825694-003-01-9 fenclonine-(+/-) 0 89.42 MicroSource 1502162 FENCLONINE (+/-) 235.017 N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |&1:1| NIGWMJHCCYYCSF-QMMMGPOBSA-N 736190 BRD-K01825694-001-02-9 fenclonine-(+/-) 0 88.03 Tocris 938 p-Chlorophenylalanine 199.04 N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |&1:1| NIGWMJHCCYYCSF-QMMMGPOBSA-N 736190 BRD-A71033472-003-24-9 fendiline 0 91.01 Tocris 6407 Fendiline Hydrochloride 315.199 C[C@@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1 |&1:1| NMKSAYKQLCHXDK-LJQANCHMSA-N 36687769 BRD-A71033472-003-23-9 fendiline 0 97.49 MicroSource 1501026 FENDILINE HYDROCHLORIDE 315.199 C[C@@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1 |&1:1| NMKSAYKQLCHXDK-LJQANCHMSA-N 36687769 BRD-K25290930-001-03-9 fenebrutinib 0 95.35 MedChemEx HY-19834 Fenebrutinib 664.349 C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 WNEODWDFDXWOLU-QHCPKHFHSA-N 86567195 BRD-A66920069-003-02-9 fenigam 0 83.85 Vitas-M STK182861 4-amino-3-phenylbutanoic acid 179.095 "NC[C@@H](CC(O)=O)c1ccccc1 |&1:2,r|" DAFOCGYVTAOKAJ-SECBINFHSA-N 685623 BRD-A66920069-001-01-3 fenigam 0 92.36 Enamine Z1255487817 179.095 "NC[C@@H](CC(O)=O)c1ccccc1 |&1:2,r|" DAFOCGYVTAOKAJ-SECBINFHSA-N 685623 BRD-A66284731-001-02-0 fenipentol 0 0 MicroSource 1503890 FENIPENTOL 164.12 "CCCC[C@@H](O)c1ccccc1 |&1:4,r|" OVGORFFCBUIFIA-LLVKDONJSA-N 6999795 BRD-A66284731-001-03-9 fenipentol 0 0 Sigma MFCD00021935 1-PHENYL-1-PENTANOL 164.12 "CCCC[C@@H](O)c1ccccc1 |&1:4,r|" OVGORFFCBUIFIA-LLVKDONJSA-N 6999795 BRD-K41160163-001-07-6 fenobam 0 94.73 Tocris 2386 Fenobam 266.057 CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5| DWPQODZAOSWNHB-UHFFFAOYSA-N 135659063 BRD-K41160163-001-06-8 fenobam 0 91.27 Tocris 2386 Fenobam 266.057 CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5| DWPQODZAOSWNHB-UHFFFAOYSA-N 135659063 BRD-K41160163-001-08-9 fenobam 0 96.49 Tocris 2386 Fenobam 266.057 CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5| DWPQODZAOSWNHB-UHFFFAOYSA-N 135659063 BRD-K50388907-001-32-0 fenofibrate 0 93.15 Tocris 4113 Fenofibrate 360.113 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 YMTINGFKWWXKFG-UHFFFAOYSA-N 3339 BRD-K50388907-001-30-4 fenofibrate 0 99.56 MicroSource 1501010 FENOFIBRATE 360.113 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 YMTINGFKWWXKFG-UHFFFAOYSA-N 3339 BRD-K50388907-001-29-6 fenofibrate 0 97.15 Selleck S1794 Fenofibrate 360.113 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 YMTINGFKWWXKFG-UHFFFAOYSA-N 3339 BRD-K30213273-001-01-6 fenofibric-acid 0 94.36 MicroSource 1504414 FENOFIBRIC ACID 318.066 CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O MQOBSOSZFYZQOK-UHFFFAOYSA-N 64929 BRD-K30213273-001-02-9 fenofibric-acid 0 97.53 MedChemEx HY-B0760 Fenofibric acid 318.066 CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O MQOBSOSZFYZQOK-UHFFFAOYSA-N 64929 BRD-K01826790-066-06-9 fenoldopam 0 94.04 MicroSource 1505539 305.082 Oc1ccc(cc1)[C@H]1CNCCc2c(Cl)c(O)c(O)cc12 |&1:7| TVURRHSHRRELCG-CYBMUJFWSA-N 30026875 BRD-K01827286-340-05-9 fenoprofen 0 95.93 MedChemEx HY-B0288B Fenoprofen (Calcium hydrate) 242.094 C[C@@H](C(O)=O)c1cccc(Oc2ccccc2)c1 |&1:1| RDJGLLICXDHJDY-LLVKDONJSA-N 41097863 BRD-K00003668-004-01-9 fenoterol 0 96.59 MedChemEx HY-B0976A Fenoterol (hydrobromide) 303.147 "C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 |&1:1,12,r|" LSLYOANBFKQKPT-APPDUMDISA-N 688469 BRD-K77564118-001-03-1 fenoverine 0 94.91 Vitas-M STK210707 "10-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-10H-phenothiazine" 459.162 O=C(CN1CCN(Cc2ccc3OCOc3c2)CC1)N1c2ccccc2Sc2ccccc12 UBAJTZKNDCEGKL-UHFFFAOYSA-N 72098 BRD-K44777569-001-01-7 fenoxaprop-p-ethyl 0 94.27 MedChemEx HY-B2013 Fenoxaprop-P-ethyl 361.072 CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 PQKBPHSEKWERTG-LLVKDONJSA-N 91707 BRD-K89085489-001-24-0 fenretinide 0 82.07 MedChemEx HY-15373 Fenretinide 391.251 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4| AKJHMTWEGVYYSE-FXILSDISSA-N 5288209 BRD-K89085489-001-23-2 fenretinide 0 82.51 MedChemEx HY-15373 Fenretinide 391.251 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4| AKJHMTWEGVYYSE-FXILSDISSA-N 5288209 BRD-K89085489-001-22-4 fenretinide 0 33.49 Adooq A12163 15-(4-hydroxyanilino)retinal 391.251 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4| AKJHMTWEGVYYSE-FXILSDISSA-N 5288209 BRD-K89085489-001-19-0 fenretinide 0 56.72 Tocris 1396 Fenretinide 391.251 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4| AKJHMTWEGVYYSE-FXILSDISSA-N 5288209 BRD-K26739552-003-16-9 fenspiride 0 74.99 MedChemEx HY-A0027 Fenspiride (Hydrochloride) 260.152 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 FVNFBBAOMBJTST-UHFFFAOYSA-N 3344 BRD-K26739552-003-14-7 fenspiride 0 95.46 Selleck S4090 Fenspiride HCl 260.152 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 FVNFBBAOMBJTST-UHFFFAOYSA-N 3344 BRD-K26739552-003-15-4 fenspiride 0 98.6 MicroSource 1501021 FENSPIRIDE HYDROCHLORIDE 260.152 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 FVNFBBAOMBJTST-UHFFFAOYSA-N 3344 BRD-K67217586-001-08-0 fenthion 0 78.04 MicroSource 330064 FENTHION 278.02 COP(=S)(OC)Oc1ccc(SC)c(C)c1 PNVJTZOFSHSLTO-UHFFFAOYSA-N 3346 BRD-K16077845-001-08-9 fentiazac 0 97.7 PrincetonBio PBMR177063 [4-(4-Chloro-phenyl)-2-phenyl-thiazol-5-yl]-acetic acid 329.028 OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccccc1 JIEKMACRVQTPRC-UHFFFAOYSA-N 28871 BRD-K16077845-001-06-1 fentiazac 0 92.65 Prestwick Prestw-1254 Fentiazac 329.028 OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)-c1ccccc1 JIEKMACRVQTPRC-UHFFFAOYSA-N 28871 BRD-A33697453-008-03-9 fenticonazole 0 89.74 MedChemEx HY-B0359 Fenticonazole (Nitrate) 454.067 Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 |&1:5| ZCJYUTQZBAIHBS-XMMPIXPASA-N 36688220 BRD-A33697453-008-04-9 fenticonazole 0 98.76 Selleck S2031 454.067 Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 |&1:5| ZCJYUTQZBAIHBS-XMMPIXPASA-N 36688220 BRD-A33697453-008-02-4|BRD-A33697453-008-02-4 BRD-K61642990-001-02-8 FERb-033 0 91.22 Tocris 3523 FERb 033 281.025 O\N=C\c1ccc(c(Cl)c1O)-c1ccc(O)c(F)c1 LRRMQNGSYOUANY-OMCISZLKSA-N 135931707 BRD-K61642990-001-01-0 FERb-033 0 94.02 Tocris 3523 FERb 033 281.025 O\N=C\c1ccc(c(Cl)c1O)-c1ccc(O)c(F)c1 LRRMQNGSYOUANY-OMCISZLKSA-N 135931707 BRD-K61642990-001-03-9 FERb-033 0 92.69 Tocris 3523 FERb 033 281.025 O\N=C\c1ccc(c(Cl)c1O)-c1ccc(O)c(F)c1 LRRMQNGSYOUANY-OMCISZLKSA-N 135931707 BRD-K00003281-001-01-9 ferroquine 0 97.4 MedChemEx HY-19364 Ferroquine 433.101 "CN(C)CC1=CC=C[C@@]1(CNc1ccnc2cc(Cl)ccc12)[Fe]C1C=CC=C1 |&1:8,r,c:6,27,29,t:4|" UZTPLPOYSVSMBU-UHFFFAOYSA-N 92043331 BRD-K97375133-001-04-9 ferrostatin-1 0 87.75 Tocris 5180 Ferrostatin 1 262.168 CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 UJHBVMHOBZBWMX-UHFFFAOYSA-N 4068248 BRD-K97375133-001-01-3 ferrostatin-1 0 74.09 Selleck S7243 Ferrostatin-1 (Fer-1) 262.168 CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 UJHBVMHOBZBWMX-UHFFFAOYSA-N 4068248 BRD-K97375133-001-03-9 ferrostatin-1 0 83.4 Tocris 5180 Ferrostatin 1 262.168 CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 UJHBVMHOBZBWMX-UHFFFAOYSA-N 4068248 BRD-K97375133-001-02-1 ferrostatin-1 0 79.61 Selleck S7243 Ferrostatin-1 (Fer-1) 262.168 CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 UJHBVMHOBZBWMX-UHFFFAOYSA-N 4068248 BRD-K66295376-236-02-6 ferulic-acid 0 91.67 MedChemEx HY-N0060A Ferulic acid (sodium) 194.058 COc1cc(\C=C\C(O)=O)ccc1O KSEBMYQBYZTDHS-HWKANZROSA-N 445858 BRD-K66295376-236-01-8 ferulic-acid 0 0 MedChemEx HY-N0060A Ferulic acid (sodium) 194.058 COc1cc(\C=C\C(O)=O)ccc1O KSEBMYQBYZTDHS-HWKANZROSA-N 445858 BRD-K66295376-001-13-1 ferulic-acid 0 95.29 Selleck S2300 Fumalic acid (Ferulic acid) 194.058 COc1cc(\C=C\C(O)=O)ccc1O KSEBMYQBYZTDHS-HWKANZROSA-N 445858 BRD-K66295376-001-12-3 ferulic-acid 0 65.55 Selleck S2300 Ferulic Acid 194.058 COc1cc(\C=C\C(O)=O)ccc1O KSEBMYQBYZTDHS-HWKANZROSA-N 445858 BRD-K46731503-001-05-9 fesoterodine 0 91.18 MedChemEx HY-70053 Fesoterodine 411.277 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C(C)C)C(C)C DCCSDBARQIPTGU-HSZRJFAPSA-N 6918558 BRD-K46731503-050-01-8 fesoterodine 0 85.76 Selleck S2240 Fesoterodine Fumarate 411.277 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C(C)C)C(C)C DCCSDBARQIPTGU-HSZRJFAPSA-N 6918558 BRD-K46731503-051-04-0 fesoterodine 0 88.03 Selleck S2240 Fesoterodine Fumarate 411.277 CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C(C)C)C(C)C DCCSDBARQIPTGU-HSZRJFAPSA-N 6918558 BRD-K00003232-001-01-9 fevipiprant 0 95.33 MedChemEx HY-16768 Fevipiprant 426.086 Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O GFPPXZDRVCSVNR-UHFFFAOYSA-N 23582412 BRD-K08864679-001-03-0 fexaramine 0 83.57 Tocris 2563 Fexaramine 496.273 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 VLQTUNDJHLEFEQ-KGENOOAVSA-N 5326713 BRD-K08864679-001-02-2 fexaramine 0 86.74 Tocris 2563 Fexaramine 496.273 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 VLQTUNDJHLEFEQ-KGENOOAVSA-N 5326713 BRD-K37069697-001-01-3 fexinidazole 0 99.04 Ark AK116408 279.068 CSc1ccc(OCc2ncc(n2C)[N+]([O-])=O)cc1 MIWWSGDADVMLTG-UHFFFAOYSA-N 68792 BRD-A73368467-003-18-4 fexofenadine 0 96.16 MicroSource 1504179 FEXOFENADINE HYDROCHLORIDE 501.288 CC(C)(C(O)=O)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:12| RWTNPBWLLIMQHL-LJAQVGFWSA-N 6603853 BRD-A73368467-003-19-2 fexofenadine 0 95.4 Tocris 2429 Fexofenadine hydrochloride 501.288 CC(C)(C(O)=O)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:12| RWTNPBWLLIMQHL-LJAQVGFWSA-N 6603853 BRD-A73368467-003-17-6 fexofenadine 0 98.09 Tocris 2429 Fexofenadine hydrochloride 501.288 CC(C)(C(O)=O)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:12| RWTNPBWLLIMQHL-LJAQVGFWSA-N 6603853 BRD-A73368467-003-16-8 fexofenadine 0 98.06 Selleck S3208 Fexofenadine HCl 501.288 CC(C)(C(O)=O)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:12| RWTNPBWLLIMQHL-LJAQVGFWSA-N 6603853 BRD-K00003287-001-01-9 fezolinetant 0 95.34 MedChemEx HY-19632 Fezolinetant 358.101 C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 PPSNFPASKFYPMN-SECBINFHSA-N 117604931 BRD-K56807945-001-01-2 FG-2216 0 96.03 MedChemEx HY-15641 FG-2216 280.025 OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O OUQVKRKGTAUJQA-UHFFFAOYSA-N 6914666 BRD-K14385366-001-04-4 FG-4592 0 93.33 Selleck S1007 Roxadustat (FG-4592) 352.106 Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12 YOZBGTLTNGAVFU-UHFFFAOYSA-N 11256664 BRD-K14385366-001-02-8 FG-4592 0 61.54 Selleck S1007 FG-4592 352.106 Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12 YOZBGTLTNGAVFU-UHFFFAOYSA-N 11256664 BRD-K61951118-001-08-7 FG-7142 0 97.25 Tocris 554 FG 7142 225.09 CNC(=O)c1cc2c(cn1)[nH]c1ccccc21 QMCOPDWHWYSJSA-UHFFFAOYSA-N 4375 BRD-K61951118-001-09-9 FG-7142 0 94.73 Tocris 554 FG 7142 225.09 CNC(=O)c1cc2c(cn1)[nH]c1ccccc21 QMCOPDWHWYSJSA-UHFFFAOYSA-N 4375 BRD-K61951118-001-07-9 FG-7142 0 97.73 Tocris 554 FG 7142 225.09 CNC(=O)c1cc2c(cn1)[nH]c1ccccc21 QMCOPDWHWYSJSA-UHFFFAOYSA-N 4375 BRD-K09778810-001-11-4 FGIN-1-27 0 96.53 Tocris 658 FGIN-1-27 436.289 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 VUWXAQFLTSBUDB-UHFFFAOYSA-N 132496 BRD-K09778810-001-10-6 FGIN-1-27 0 95.16 Tocris 658 FGIN-1-27 436.289 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 VUWXAQFLTSBUDB-UHFFFAOYSA-N 132496 BRD-K66093087-001-04-9 FGIN-1-43 0 98.62 Tocris 659 FGIN-1-43 486.22 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 XTZUPNNVXIMWAR-UHFFFAOYSA-N 3995234 BRD-K66093087-001-05-9 FGIN-1-43 0 95.27 Tocris 659 FGIN-1-43 486.22 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 XTZUPNNVXIMWAR-UHFFFAOYSA-N 3995234 BRD-K66093087-001-03-1 FGIN-1-43 0 98.23 Tocris 659 FGIN-1-43 486.22 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 XTZUPNNVXIMWAR-UHFFFAOYSA-N 3995234 BRD-K48112880-001-02-3 FH-535 0 93.75 Tocris 4344 FH 535 359.974 Cc1cc(ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O AXNUEXXEQGQWPA-UHFFFAOYSA-N 3463933 BRD-K48112880-001-04-9 FH-535 0 95.44 Tocris 4344 FH 535 359.974 Cc1cc(ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O AXNUEXXEQGQWPA-UHFFFAOYSA-N 3463933 BRD-K44777625-001-03-5 FH1 0 97.97 Selleck S7450 FH1(BRD-K4477) 282.137 CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1 OEXMNSOPAKOPEF-UHFFFAOYSA-N 94990 BRD-K44777625-001-05-0 FH1 0 95.23 Tocris 5254 FH 1 282.137 CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1 OEXMNSOPAKOPEF-UHFFFAOYSA-N 94990 BRD-K07160047-001-02-9 fiacitabine 0 95.07 MedChemEx HY-50735 Fiacitabine 370.978 Nc1nc(=O)n(cc1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F GIMSJJHKKXRFGV-BYPJNBLXSA-N 50312 BRD-K07160047-001-01-3 fiacitabine 0 99.3 MedChemEx HY-50735 Fiacitabine 370.978 Nc1nc(=O)n(cc1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F GIMSJJHKKXRFGV-BYPJNBLXSA-N 50312 BRD-A63752151-001-01-2 fidarestat 0 88.01 Vitas-M STK692948 279.066 "NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |&1:3,&2:5,r|" WAAPEIZFCHNLKK-PELKAZGASA-N 449156 BRD-K00003591-001-01-9 fidaxomicin 0 88.01 MedChemEx HY-17580 Fidaxomicin 1056.425 "CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O |c:3,11,47,50,t:9|" ZVGNESXIJDCBKN-UUEYKCAUSA-N 10034073 BRD-K37379014-001-01-2 filanesib 0 84.06 MedChemEx HY-15187 ARRY-520 420.143 CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| LLXISKGBWFTGEI-FQEVSTJZSA-N 44224257 BRD-K37379014-001-02-0 filanesib 0 85.47 MedChemEx HY-15187 ARRY-520 420.143 CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| LLXISKGBWFTGEI-FQEVSTJZSA-N 44224257 BRD-K16803204-001-02-9 filgotinib 0 93.27 MedChemEx HY-18300 Filgotinib 425.152 O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 RIJLVEAXPNLDTC-UHFFFAOYSA-N 49831257 BRD-K16803204-001-01-6 filgotinib 0 96.83 MedChemEx HY-18300 GLPG0634 425.152 O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 RIJLVEAXPNLDTC-UHFFFAOYSA-N 49831257 BRD-K21586122-001-02-7 fimasartan 0 82.66 MedChemEx HY-B0780 "2-(3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butylidene-6-methyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,N-dimethylethanethioamide" 501.231 CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 AMEROGPZOLAFBN-UHFFFAOYSA-N 9870652 BRD-K76786967-001-01-7 BRD-K21586122-001-01-9 fimasartan 0 89.33 MedChemEx HY-B0780 Fimasartan 501.231 CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 AMEROGPZOLAFBN-UHFFFAOYSA-N 9870652 BRD-K98384930-001-02-9 finafloxacin 0 95.28 MedChemEx HY-13451 Finafloxacin 398.139 OC(=O)c1cn(C2CC2)c2c(C#N)c(N3C[C@@H]4NCCO[C@H]4C3)c(F)cc2c1=O FYMHQCNFKNMJAV-HOTGVXAUSA-N 11567473 BRD-K98384930-003-01-5 finafloxacin 0 93.21 SantaCruz sc-211507 398.139 OC(=O)c1cn(C2CC2)c2c(C#N)c(N3C[C@@H]4NCCO[C@H]4C3)c(F)cc2c1=O FYMHQCNFKNMJAV-HOTGVXAUSA-N 11567473 BRD-K01095011-001-15-9 finasteride 0 98.24 MicroSource 1506069 FINASTERIDE 372.278 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |c:18| DBEPLOCGEIEOCV-WSBQPABSSA-N 57363 BRD-A83081521-001-02-3 BRD-K01095011-001-16-9 finasteride 0 95.46 Tocris 3293 Finasteride 372.278 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |c:18| DBEPLOCGEIEOCV-WSBQPABSSA-N 57363 BRD-K01095011-001-14-2 finasteride 0 97.61 Selleck S1197 Finasteride 372.278 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |c:18| DBEPLOCGEIEOCV-WSBQPABSSA-N 57363 BRD-K37882277-001-01-7 BRD-K88025533-001-07-9 fingolimod 0 93.94 MedChemEx HY-11063 Fingolimod 307.251 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 KKGQTZUTZRNORY-UHFFFAOYSA-N 107970 BRD-K88025533-003-04-1 fingolimod 0 95.28 Selleck S5002 Fingolimod (FTY720) 307.251 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 KKGQTZUTZRNORY-UHFFFAOYSA-N 107970 BRD-K88025533-003-03-3 fingolimod 0 94.04 Selleck S5002 Fingolimod (FTY720) HCl 307.251 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 KKGQTZUTZRNORY-UHFFFAOYSA-N 107970 BRD-K37688416-003-13-1 fipexide 0 98.95 MicroSource 1503222 FIPEXIDE HYDROCHLORIDE 388.119 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 BFUJHVVEMMWLHC-UHFFFAOYSA-N 3351 BRD-K61560897-003-01-4 FIPI 0 97.57 Tocris 3600 FIPI 421.191 Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O LHABRXRGDLASIH-UHFFFAOYSA-N 16739265 BRD-K61560897-003-02-9 FIPI 0 97.99 Tocris 3600 FIPI 421.191 Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O LHABRXRGDLASIH-UHFFFAOYSA-N 16739265 BRD-A50675702-001-07-1 fipronil 0 96.39 MicroSource 1505354 FIPRONIL 435.939 "Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)[S@@](=O)C(F)(F)F |&1:20,r|" ZOCSXAVNDGMNBV-AREMUKBSSA-N 15278226 BRD-A50675702-001-08-9 fipronil 0 97.11 Sigma MFCD00867812 Fipronil 435.939 "Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)[S@@](=O)C(F)(F)F |&1:20,r|" ZOCSXAVNDGMNBV-AREMUKBSSA-N 15278226 BRD-K17513304-001-01-9 firategrast 0 99.31 MedChemEx HY-14951 Firategrast 499.181 CCOCc1cc(OC)c(c(OC)c1)-c1ccc(C[C@H](NC(=O)c2c(F)cccc2F)C(O)=O)cc1 YLFZHHDVRSYTKT-NRFANRHFSA-N 9935681 BRD-K17513304-001-02-9 firategrast 0 98.13 MedChemEx HY-14951 Firategrast 499.181 CCOCc1cc(OC)c(c(OC)c1)-c1ccc(C[C@H](NC(=O)c2c(F)cccc2F)C(O)=O)cc1 YLFZHHDVRSYTKT-NRFANRHFSA-N 9935681 BRD-K09090523-001-02-1 firocoxib 0 99.46 MicroSource 1504526 FIROCOXIB 336.103 CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(cc1)S(C)(=O)=O |c:12| FULAPETWGIGNMT-UHFFFAOYSA-N 208910 BRD-K00003236-001-01-9 firsocostat 0 94.78 MedChemEx HY-16901 Firsocostat 569.183 COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 ZZWWXIBKLBMSCS-FQEVSTJZSA-N 71528744 BRD-K31836715-001-07-9 fisetin 0 79.11 MedChemEx HY-N0182 Fisetin 286.048 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O XHEFDIBZLJXQHF-UHFFFAOYSA-N 5281614 BRD-K31836715-001-05-0 fisetin 0 68.95 Selleck S2298 Fisetin 286.048 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O XHEFDIBZLJXQHF-UHFFFAOYSA-N 5281614 BRD-K31836715-001-06-8 fisetin 0 84.91 Selleck S2298 Fisetin (Fustel) 286.048 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O XHEFDIBZLJXQHF-UHFFFAOYSA-N 5281614 BRD-K00003377-001-01-9 fisogatinib 0 93.64 MedChemEx HY-100492 Fisogatinib 502.117 COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 MGZKYOAQVGSSGC-DLBZAZTESA-N 91885617 BRD-K17896185-001-02-0 FIT 0 8.53 Tocris 1480 FIT 393.187 CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1 VDKBIFPJULZUPU-UHFFFAOYSA-N 84008 BRD-A01907367-001-01-7 FK-33-824 0 81.78 Enzo AC906 "(D-Ala2,N-Me-Phe4, Methionin (O)-ol5)-enkephalin" 603.273 "C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC[S@@](C)=O |a:1,5,23,34,&1:39|" HYZHONGSQNXMPH-YJRDZJJMSA-N BRD-K38350380-001-01-8 FK-3311 0 94.36 MedChemEx HY-14445 FK 3311 341.053 CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1 DIIYLGZNZGPXRR-UHFFFAOYSA-N 164009 BRD-K38350380-001-02-9 FK-3311 0 95.84 Tocris 2776 FK 3311 341.053 CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1 DIIYLGZNZGPXRR-UHFFFAOYSA-N 164009 BRD-K00005243-001-01-9 FK-409 0 100 Sigma E2895 NOR-3 215.091 "CC\C(=C/C(=N/O)/C(N)=O)[C@@H](C)[N+]([O-])=O |&1:10,r|" MZAGXDHQGXUDDX-FGCOBAPNSA-N 94621715 BRD-K58550667-001-08-7 FK-866 0 93.54 Enzo 270-501 FK-866 391.226 O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 KPBNHDGDUADAGP-VAWYXSNFSA-N 6914657 BRD-K83508485-001-03-5 FK-888 0 97.91 Tocris 2400 FK 888 588.274 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 BFNKQTIJVFGCKQ-PDJGWCFMSA-N 107967 BRD-K83508485-001-02-7 FK-888 0 97.62 Tocris 2400 FK 888 588.274 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 BFNKQTIJVFGCKQ-PDJGWCFMSA-N 107967 BRD-K83508485-001-04-9 FK-888 0 96.31 Tocris 2400 FK 888 588.274 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 BFNKQTIJVFGCKQ-PDJGWCFMSA-N 107967 BRD-K80607346-001-01-1 FK-962 0 98.54 Enamine Z90645000 N-(1-acetyl-4-piperidinyl)-4-fluorobenzamide 264.127 CC(=O)N1CCC(CC1)NC(=O)c1ccc(F)cc1 VBHVOHJOTMCSBQ-UHFFFAOYSA-N 9816738 BRD-K01666925-304-01-9 flavin-adenine-dinucleotide 0 73.4 CombiBlocks SS-0619 Flavin adenine dinucleotide disodium salt 831.137 "Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C |a:15,17,19,32,34,35,37,&1:23,&2:27|" VWWQXMAJTJZDQX-UYBVJOGSSA-N 643975 BRD-K47639036-003-06-6 flavoxate 0 96.85 Selleck S4027 Flavoxate HCl 391.178 Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 SPIUTQOUKAMGCX-UHFFFAOYSA-N 3354 BRD-A09472452-015-26-7 flecainide 0 96.6 Tocris 1470 Flecainide acetate 414.138 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1 DJBNUMBKLMJRSA-UHFFFAOYSA-N 46864232 BRD-A09472452-015-23-4 flecainide 0 93.89 MicroSource 1505540 FLECAINIDE ACETATE 414.138 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1 DJBNUMBKLMJRSA-UHFFFAOYSA-N 46864232 BRD-A09472452-015-22-6 flecainide 0 66.16 Tocris 1470 Flecainide acetate 414.138 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1 DJBNUMBKLMJRSA-UHFFFAOYSA-N 46864232 BRD-K61717546-001-07-9 fleroxacin 0 94.11 MedChemEx HY-B0414 Fleroxacin 369.13 CN1CCN(CC1)c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O XBJBPGROQZJDOJ-UHFFFAOYSA-N 40466912 BRD-K61717546-001-04-3 fleroxacin 0 78.3 Selleck S2469 Fleroxacin (Quinodis) 369.13 CN1CCN(CC1)c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O XBJBPGROQZJDOJ-UHFFFAOYSA-N 40466912 BRD-K61717546-001-05-0 fleroxacin 0 99.55 Selleck S2469 Fleroxacin (Quinodis) 369.13 CN1CCN(CC1)c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O XBJBPGROQZJDOJ-UHFFFAOYSA-N 40466912 BRD-A44500574-001-04-9 FLI-06 0 94.08 Tocris 5172 FLI 06 438.215 "CC1=NC2=C([C@@H](C1C(=O)OC1CCCCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)CC(C)(C)C2 |&1:5,r,c:3,t:1|" DUGBYNJMBYPWGS-FOIFJWKZSA-N 6966819 BRD-A44500574-001-01-8 FLI-06 0 90.57 Selleck S7399 FLI-06 438.215 "CC1=NC2=C([C@@H](C1C(=O)OC1CCCCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)CC(C)(C)C2 |&1:5,r,c:3,t:1|" DUGBYNJMBYPWGS-FOIFJWKZSA-N 6966819 BRD-A44500574-001-03-4 FLI-06 0 94.81 Tocris 5172 FLI 06 438.215 "CC1=NC2=C([C@@H](C1C(=O)OC1CCCCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)CC(C)(C)C2 |&1:5,r,c:3,t:1|" DUGBYNJMBYPWGS-FOIFJWKZSA-N 6966819 BRD-A44500574-001-02-6 FLI-06 0 97.33 Selleck S7399 FLI-06 438.215 "CC1=NC2=C([C@@H](C1C(=O)OC1CCCCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)CC(C)(C)C2 |&1:5,r,c:3,t:1|" DUGBYNJMBYPWGS-FOIFJWKZSA-N 6966819 BRD-K33637378-001-01-7 flibanserin 0 96.14 MedChemEx HY-A0095 Flibanserin 390.167 FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1 PPRRDFIXUUSXRA-UHFFFAOYSA-N 6918248 BRD-K56740996-001-02-1 flindokalner 0 97.23 Tocris 4949 MaxiPost 359.034 COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(ccc12)C(F)(F)F ULYONBAOIMCNEH-HNNXBMFYSA-N 214350 BRD-K56740996-001-01-3 flindokalner 0 98.77 Sigma SML1313 "(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one" 359.034 COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(ccc12)C(F)(F)F ULYONBAOIMCNEH-HNNXBMFYSA-N 214350 BRD-A23418262-001-01-5 floctafenine 0 99.43 Carbosynth FF23305 "2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate" 406.114 "OC[C@@H](O)COC(=O)c1ccccc1Nc1ccnc2c(cccc12)C(F)(F)F |&1:2,r|" APQPGQGAWABJLN-GFCCVEGCSA-N 76958517 BRD-K43383936-001-05-2 flopropione 0 98.95 MicroSource 1500629 FLOPROPIONE 182.058 CCC(=O)c1c(O)cc(O)cc1O PTHLEKANMPKYDB-UHFFFAOYSA-N 3362 BRD-K43383936-001-04-5 flopropione 0 93.48 Selleck S4249 Flopropione 182.058 CCC(=O)c1c(O)cc(O)cc1O PTHLEKANMPKYDB-UHFFFAOYSA-N 3362 BRD-K11298197-001-16-9 florfenicol 0 96.31 MedChemEx HY-B1374 Florfenicol 357 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl AYIRNRDRBQJXIF-NXEZZACHSA-N 114811 BRD-K11298197-001-12-0 florfenicol 0 95.26 Selleck S4201 Florfenicol 357 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl AYIRNRDRBQJXIF-NXEZZACHSA-N 114811 BRD-K11298197-001-15-3 florfenicol 0 97.3 Selleck S4201 FLORFENICOL 357 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl AYIRNRDRBQJXIF-NXEZZACHSA-N 114811 BRD-K00004567-001-01-9 florifenine 0 75.09 Sigma MFCD00869108 2-(1-pyrrolidinyl)ethyl 2-{[7-(trifluoromethyl)-4-quinolinyl]amino}benzoate 429.166 FC(F)(F)c1ccc2c(Nc3ccccc3C(=O)OCCN3CCCC3)ccnc2c1 DQOYUDHAZMAVLD-UHFFFAOYSA-N 216222 BRD-A79643124-001-01-9 flosequinan 0 99.63 Key FE-0065 7-fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolinone 239.042 Cn1cc([S@@](C)=O)c(=O)c2ccc(F)cc12 |r| UYGONJYYUKVHDD-MRXNPFEDSA-N 11776383 BRD-K47832606-001-30-1 floxuridine 0 100 Selleck S1299 Floxuridine 246.065 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O ODKNJVUHOIMIIZ-RRKCRQDMSA-N 5790 BRD-K73088654-001-01-9 BRD-K47832606-001-26-9 floxuridine 0 Sigma F0503 Floxuridine 246.065 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1" 5790 BRD-K00003510-001-01-9 FLT3-IN-1 0 97.13 MedChemEx HY-109584 FLT3-IN-1 530.312 CCCNc1nc(Nc2ccc(cc2)C#N)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C HJFSVYUFOXAVAA-YUAYGMJFSA-N 90052320 BRD-K86003836-001-10-5 flubendazole 0 97.49 MicroSource 1505043 FLUBENDAZOLE 313.086 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(F)cc1 CPEUVMUXAHMANV-UHFFFAOYSA-N 35802 BRD-K99928247-001-01-0 BRD-K86003836-001-13-9 flubendazole 0 97.46 MedChemEx HY-B0294 Flubendazole 313.086 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(F)cc1 CPEUVMUXAHMANV-UHFFFAOYSA-N 35802 BRD-K86003836-001-09-7 flubendazole 0 96.48 Selleck S1837 Flubendazole 313.086 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(F)cc1 CPEUVMUXAHMANV-UHFFFAOYSA-N 35802 BRD-K27871792-236-01-0 flucloxacillin 0 74.99 Sigma MFCD01682108 "sodium (2S,5R,6R)-6-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 453.056 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(F)cccc1Cl UIOFUWFRIANQPC-JKIFEVAISA-N 21319 BRD-K27871792-001-01-8 flucloxacillin 0 78.07 Prestwick Prestw-1011 Flucloxacillin sodium 453.056 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(F)cccc1Cl UIOFUWFRIANQPC-JKIFEVAISA-N 21319 BRD-A13650332-236-09-6 BRD-K05977355-001-19-0 fluconazole 0 97.95 MicroSource 1503975 FLUCONAZOLE 306.104 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F RFHAOTPXVQNOHP-UHFFFAOYSA-N 3365 BRD-K05977355-001-23-2 fluconazole 0 95.83 Sigma Y0000557 "2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol" 306.104 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F RFHAOTPXVQNOHP-UHFFFAOYSA-N 3365 BRD-K05977355-001-18-2 fluconazole 0 90.64 Selleck S1331 Fluconazole 306.104 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F RFHAOTPXVQNOHP-UHFFFAOYSA-N 3365 BRD-K82143716-001-30-9 flucytosine 0 100 MedChemEx HY-B0139 Flucytosine 129.034 Nc1nc(=O)[nH]cc1F XRECTZIEBJDKEO-UHFFFAOYSA-N 3366 BRD-K82143716-001-20-7 flucytosine 0 92.98 MicroSource 1505429 FLUCYTOSINE 129.034 Nc1nc(=O)[nH]cc1F XRECTZIEBJDKEO-UHFFFAOYSA-N 3366 BRD-K82143716-001-19-9 flucytosine 0 100 Selleck S1666 Flucytosine 129.034 Nc1nc(=O)[nH]cc1F XRECTZIEBJDKEO-UHFFFAOYSA-N 3366 BRD-K66788707-001-15-0 fludarabine 0 83.64 Tocris 3495 Fludarabine 285.087 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HBUBKKRHXORPQB-FJFJXFQQSA-N 657237 BRD-K66788707-001-14-3 fludarabine 0 98.32 Tocris 3495 Fludarabine 285.087 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HBUBKKRHXORPQB-FJFJXFQQSA-N 657237 BRD-K66788707-001-17-6 fludarabine 0 96.09 Selleck S1491 Fludarabine (Fludara) 285.087 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HBUBKKRHXORPQB-FJFJXFQQSA-N 657237 BRD-K51927012-001-02-9 BRD-K71106091-001-06-1 fludarabine-phosphate 0 96.99 MicroSource 1505705 FLUDARABINE PHOSPHATE 365.054 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O GIUYCYHIANZCFB-FJFJXFQQSA-N 30751 BRD-K71106091-001-09-5 fludarabine-phosphate 0 93.84 Selleck S1229 Fludarabine Phosphate (Fludara) 365.054 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O GIUYCYHIANZCFB-FJFJXFQQSA-N 30751 BRD-K71106091-001-05-3 fludarabine-phosphate 0 86.16 Selleck S1229 Fludarabine Phosphate 365.054 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O GIUYCYHIANZCFB-FJFJXFQQSA-N 30751 BRD-K06408664-001-03-5 fludrocortisone-acetate 0 92.71 MicroSource 1500299 FLUDROCORTISONE ACETATE 422.21 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:15| SYWHXTATXSMDSB-GSLJADNHSA-N 225609 BRD-A38749782-001-04-1 BRD-K06408664-001-04-9 fludrocortisone-acetate 0 86.36 MedChemEx HY-B1203A Fludrocortisone (acetate) 422.21 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:15| SYWHXTATXSMDSB-GSLJADNHSA-N 225609 BRD-K06408664-001-02-7 fludrocortisone-acetate 0 92.19 Sigma MFCD00864160 "(11beta)-9-fluoro-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate" 422.21 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:15| SYWHXTATXSMDSB-GSLJADNHSA-N 225609 BRD-K00824317-001-18-9 fludroxycortide 0 91.88 MedChemEx HY-B1013 Flurandrenolide 436.226 CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |t:11| POPFMWWJOGLOIF-XWCQMRHXSA-N 15209 BRD-K44067360-001-30-3 flufenamic-acid 0 99.37 MicroSource 1501015 FLUFENAMIC ACID 281.066 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F LPEPZBJOKDYZAD-UHFFFAOYSA-N 3371 BRD-K44067360-001-29-5 flufenamic-acid 0 97.61 Selleck S4268 Flufenamic acid 281.066 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F LPEPZBJOKDYZAD-UHFFFAOYSA-N 3371 BRD-K68870568-066-01-5 flumatinib 0 94.43 MedChemEx HY-13905 Flumatinib (mesylate) 562.242 CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2cnc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 BJCJYEYYYGBROF-UHFFFAOYSA-N 46848036 BRD-K68870568-066-02-9 flumatinib 0 97.8 MedChemEx HY-13905 Flumatinib (mesylate) 562.242 CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2cnc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 BJCJYEYYYGBROF-UHFFFAOYSA-N 46848036 BRD-K98769987-001-25-2 flumazenil 0 96.94 Tocris 1328 Flumazenil 303.102 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 OFBIFZUFASYYRE-UHFFFAOYSA-N 3373 BRD-K98769987-001-23-7 flumazenil 0 99.3 MicroSource 1505701 FlUMAZENIL 303.102 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 OFBIFZUFASYYRE-UHFFFAOYSA-N 3373 BRD-K98769987-001-26-9 flumazenil 0 96.93 Tocris 1328 Flumazenil 303.102 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 OFBIFZUFASYYRE-UHFFFAOYSA-N 3373 BRD-K98769987-001-21-1 flumazenil 0 98.36 Selleck S1332 Flumazenil 303.102 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 OFBIFZUFASYYRE-UHFFFAOYSA-N 3373 BRD-K98769987-001-22-9 flumazenil 0 99.29 Tocris 1328 Flumazenil 303.102 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 OFBIFZUFASYYRE-UHFFFAOYSA-N 3373 BRD-A44181516-001-01-8 flumecinol 0 97.8 Enamine Z2301518221 1-phenyl-1-[3-(trifluoromethyl)phenyl]-1-propanol 280.107 "CC[C@@](O)(c1ccccc1)c1cccc(c1)C(F)(F)F |&1:2,r|" DVASNQYQOZHAJN-OAHLLOKOSA-N 76961845 BRD-A69777949-001-25-9 flumequine 0 97.02 MicroSource 1500992 FLUMEQUINE 261.08 "C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" DPSPPJIUMHPXMA-ZETCQYMHSA-N 6918894 BRD-A69777949-001-27-9 flumequine 0 96.53 MedChemEx HY-B0526 Flumequine 261.08 "C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" DPSPPJIUMHPXMA-ZETCQYMHSA-N 6918894 BRD-A69777949-001-24-2 flumequine 0 98.1 Selleck S3181 Flumequine 261.08 "C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" DPSPPJIUMHPXMA-ZETCQYMHSA-N 6918894 BRD-K61496577-001-21-9 flumethasone 0 85.67 MedChemEx HY-B1051 Flumethasone 410.19 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:12,t:8|" WXURHACBFYSXBI-GQKYHHCASA-N 16490 BRD-K61496577-001-20-2 flumethasone 0 97.76 MicroSource 1501196 FLUMETHASONE 410.19 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:12,t:8|" WXURHACBFYSXBI-GQKYHHCASA-N 16490 BRD-A01346607-001-04-2 BRD-K61496577-001-19-4 flumethasone 0 95.06 Selleck S4088 Flumethasone 410.19 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:12,t:8|" WXURHACBFYSXBI-GQKYHHCASA-N 16490 BRD-K09237689-001-01-0 BRD-K00025599-001-01-9 flumethasone-pivalate 0 94.44 Sigma F0891-100MG 494.248 "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C |c:12,t:8|" JWRMHDSINXPDHB-OJAGFMMFSA-N 443980 BRD-A43518428-001-02-7 flumexadol 0 29.46 Enamine Z1318513963 2-[3-(trifluoromethyl)phenyl]morpholine 231.087 "FC(F)(F)c1cccc(c1)[C@H]1CNCCO1 |&1:10,r|" GXPYCYWPUGKQIJ-SNVBAGLBSA-N 76971765 BRD-A43518428-001-01-9 flumexadol 0 16.22 Enamine Z397586650 231.087 "FC(F)(F)c1cccc(c1)[C@H]1CNCCO1 |&1:10,r|" GXPYCYWPUGKQIJ-SNVBAGLBSA-N 76971765 BRD-K29582677-300-11-4 flunarizine 0 96.48 Tocris 522 Flunarizine dihydrochloride 404.206 Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 SMANXXCATUTDDT-QPJJXVBHSA-N 941361 BRD-K29582677-300-08-0 flunarizine 0 97.61 Selleck S2030 Flunarizine 2HCl 404.206 Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 SMANXXCATUTDDT-QPJJXVBHSA-N 941361 BRD-K29582677-300-10-6 flunarizine 0 97.81 MicroSource 1500993 FLUNARIZINE HYDROCHLORIDE 404.206 Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 SMANXXCATUTDDT-QPJJXVBHSA-N 941361 BRD-K29582677-300-09-8 flunarizine 0 97.68 Tocris 522 Flunarizine dihydrochloride 404.206 Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 SMANXXCATUTDDT-QPJJXVBHSA-N 941361 BRD-K49577446-001-12-9 flunisolide 0 91.32 MedChemEx HY-B1121 Flunisolide 434.21 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:15,t:11|" XSFJVAJPIHIPKU-XWCQMRHXSA-N 82153 BRD-K99984802-100-13-5 flunixin-meglumin 0 99.53 MicroSource 1505113 FLUNIXIN MEGLUMINE 296.077 Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F NOOCSNJCXJYGPE-UHFFFAOYSA-N 38081 BRD-K99984802-100-14-9 flunixin-meglumin 0 96.82 MedChemEx HY-B0386 Flunixin (meglumine) 296.077 Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F NOOCSNJCXJYGPE-UHFFFAOYSA-N 38081 BRD-K99984802-100-12-7 flunixin-meglumin 0 97.97 Selleck S2108 Flunixin Meglumin 296.077 Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F NOOCSNJCXJYGPE-UHFFFAOYSA-N 38081 BRD-K94353609-001-22-9 fluocinolone-acetonide 0 92.74 MedChemEx HY-B0415 Fluocinolone (Acetonide) 452.201 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:15,t:11|" FEBLZLNTKCEFIT-VSXGLTOVSA-N 6215 BRD-K94353609-001-21-6 fluocinolone-acetonide 0 97.2 MicroSource 1500302 FLUOCINOLONE ACETONIDE 452.201 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:15,t:11|" FEBLZLNTKCEFIT-VSXGLTOVSA-N 6215 BRD-A77824596-001-04-0 BRD-K94353609-001-20-8 fluocinolone-acetonide 0 92.88 Selleck S2470 Fluocinolone Acetonide 452.201 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:15,t:11|" FEBLZLNTKCEFIT-VSXGLTOVSA-N 6215 BRD-K95627890-001-01-2 BRD-K57886322-001-18-9 fluocinonide 0 86.43 MedChemEx HY-B0485 Fluocinonide 494.212 "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:25,t:21|" WJOHZNCJWYWUJD-IUGZLZTKSA-N 9642 BRD-K57886322-001-16-6 fluocinonide 0 93.28 Selleck S2608 Fluocinonide 494.212 "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:25,t:21|" WJOHZNCJWYWUJD-IUGZLZTKSA-N 9642 BRD-K68865937-001-01-6 BRD-K57886322-001-17-4 fluocinonide 0 91.13 Selleck S2608 FLUOCINONIDE 494.212 "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:25,t:21|" WJOHZNCJWYWUJD-IUGZLZTKSA-N 9642 BRD-K21913543-001-02-4 fluorescein 0 95.86 MicroSource 1505396 FLUORESCEIN 332.068 Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1 GNBHRKFJIUUOQI-UHFFFAOYSA-N 16850 BRD-K21913543-001-03-9 fluorescein 0 75.99 MedChemEx HY-D0251 Fluorescein 332.068 Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1 GNBHRKFJIUUOQI-UHFFFAOYSA-N 16850 BRD-K64862097-001-20-9 fluorometholone 0 WuXi EW21509-4-P1 FLUOROMETHOLONE 376.205 "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 |c:23,t:27|" FAOZLTXFLGPHNG-KNAQIMQKSA-N 9878 BRD-K02528732-001-01-6 fluorometholone-acetate 0 0 Selleck S4228 Fluorometholone Acetate 418.216 "C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 |c:26,t:30|" YRFXGQHBPBMFHW-SBTZIJSASA-N 240767 BRD-K02528732-001-03-2 fluorometholone-acetate 0 88.61 Selleck S4228 Fluorometholone Acetate 418.216 "C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 |c:26,t:30|" YRFXGQHBPBMFHW-SBTZIJSASA-N 240767 BRD-K02528732-001-02-4 fluorometholone-acetate 0 97.54 Selleck S4228 Fluorometholone Acetate 418.216 "C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 |c:26,t:30|" YRFXGQHBPBMFHW-SBTZIJSASA-N 240767 BRD-K51199656-003-01-4 fluoromethylcholine 0 100 MatrixSci 8941 122.098 C[N+](C)(CF)CCO PBVFROWIWWGIFK-UHFFFAOYSA-N 404592 BRD-A31159102-003-30-4 fluoxetine 0 98.86 MicroSource 1504173 FLUOXETINE HYDROCHLORIDE 309.134 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 657320 BRD-A31159102-003-28-8 fluoxetine 0 94.97 Selleck S1333 Fluoxetine HCl 309.134 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 657320 BRD-A31159102-003-31-2 fluoxetine 0 92.65 Tocris 927 Fluoxetine hydrochloride 309.134 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 657320 BRD-A31159102-003-29-6 fluoxetine 0 97.29 Tocris 927 Fluoxetine hydrochloride 309.134 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 657320 BRD-K70487031-001-02-8 flupentixol 0 93.69 Enzo AC750 cis-(Z)-Flupenthixol 2HCl 434.164 OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 NJMYODHXAKYRHW-DVZOWYKESA-N 5281881 BRD-K55127134-300-11-2 fluphenazine 0 95.33 MicroSource 1500994 FLUPHENAZINE HYDROCHLORIDE 437.175 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 PLDUPXSUYLZYBN-UHFFFAOYSA-N 3372 BRD-K27898013-001-01-4 fluphenazine-decanoate 0 59.41 AKSci 67470 591.311 CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 VIQCGTZFEYDQMR-UHFFFAOYSA-N 3388 BRD-K50720187-001-02-8 flupirtine 0 8.67 Tocris 2867 Flupirtine maleate 304.134 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N JUUFBMODXQKSTD-UHFFFAOYSA-N 53276 BRD-K50720187-050-09-0 flupirtine 0 85.76 MedChemEx HY-17001 Flupirtine (Maleate) 304.134 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N JUUFBMODXQKSTD-UHFFFAOYSA-N 53276 BRD-K50720187-051-03-1 flupirtine 0 73.55 Selleck S1334 Flupirtine maleate 304.134 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N JUUFBMODXQKSTD-UHFFFAOYSA-N 53276 BRD-K50720187-050-08-2 flupirtine 0 36.42 MedChemEx HY-17001 Flupirtine (Maleate) 304.134 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N JUUFBMODXQKSTD-UHFFFAOYSA-N 53276 BRD-K50720187-051-02-3 flupirtine 0 0.63 Selleck S1334 Flupirtine maleate 304.134 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N JUUFBMODXQKSTD-UHFFFAOYSA-N 53276 BRD-K44091134-001-01-9 fluprazine 0 92.16 Enamine Z432843176 N-(2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)urea 316.151 NC(=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F CHQKHXJPWDSTPY-UHFFFAOYSA-N 71153 BRD-K00003239-001-01-9 fluralaner 0 99.1 MedChemEx HY-16973 Fluralaner 555.055 "Cc1cc(ccc1C(=O)NCC(=O)NCC(F)(F)F)C1=NO[C@](C1)(c1cc(Cl)cc(Cl)c1)C(F)(F)F |&1:22,r,t:20|" MLBZKOGAMRTSKP-HXUWFJFHSA-N 71300892 BRD-A86044036-001-26-5 flurbiprofen-(+/-) 0 98.21 Tocris 1769 Flurbiprofen 244.09 "C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 |&1:1,r|" SYTBZMRGLBWNTM-SNVBAGLBSA-N 92337 BRD-A86044036-001-30-9 flurbiprofen-(+/-) 0 92.79 Tocris 1769 Flurbiprofen 244.09 "C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 |&1:1,r|" SYTBZMRGLBWNTM-SNVBAGLBSA-N 92337 BRD-A86044036-001-27-3 flurbiprofen-(+/-) 0 0 MicroSource 1500308 FLURBIPROFEN 244.09 "C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 |&1:1,r|" SYTBZMRGLBWNTM-SNVBAGLBSA-N 92337 BRD-K69907333-001-07-2 flurbiprofen-(S)-(+) 0 0 Selleck S1679 Flurbiprofen 244.09 C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 SYTBZMRGLBWNTM-JTQLQIEISA-N 72099 BRD-K69907333-001-10-6 flurbiprofen-(S)-(+) 0 99.2 Selleck S1679 (S)-(+)-Flurbiprofen 244.09 C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 SYTBZMRGLBWNTM-JTQLQIEISA-N 72099 BRD-K00004724-001-01-9 flurbiprofen-axetil 0 50.9 CombiBlocks QJ-7645 Flurbiprofen axetil 330.127 "C[C@H](OC(C)=O)OC(=O)[C@H](C)c1ccc(c(F)c1)-c1ccccc1 |&1:9,&2:1,r|" ALIVXCSEERJYHU-TZMCWYRMSA-N 40468023 BRD-K75410565-001-03-9 flurizan 0 96.34 Tocris 4495 Flurizan 244.09 C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 SYTBZMRGLBWNTM-SNVBAGLBSA-N 92337 BRD-K75410565-001-02-9 flurizan 0 95.1 Tocris 4495 Flurizan 244.09 C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 SYTBZMRGLBWNTM-SNVBAGLBSA-N 92337 BRD-K67445247-001-04-7 flurofamide 0 43.87 Tocris 478 Flurofamide 217.042 NP(N)(=O)NC(=O)c1ccc(F)cc1 QWZFVMCWPLMLTL-UHFFFAOYSA-N 51173 BRD-K67445247-001-03-9 flurofamide 0 73.24 Tocris 478 N-(4-fluorobenzoyl)phosphoric triamide 217.042 NP(N)(=O)NC(=O)c1ccc(F)cc1 QWZFVMCWPLMLTL-UHFFFAOYSA-N 51173 BRD-K67445247-001-02-1 flurofamide 0 40.15 Tocris 478 Flurofamide 217.042 NP(N)(=O)NC(=O)c1ccc(F)cc1 QWZFVMCWPLMLTL-UHFFFAOYSA-N 51173 BRD-K14763542-001-02-3 flurothyl 1 0 MicroSource 1505430 FLUROTHYL 182.017 FC(F)(F)COCC(F)(F)F KGPPDNUWZNWPSI-UHFFFAOYSA-N 9528 BRD-K14763542-001-03-1 flurothyl 1 0 TCI B1293 "1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane" 182.017 FC(F)(F)COCC(F)(F)F KGPPDNUWZNWPSI-UHFFFAOYSA-N 9528 BRD-K56908511-001-01-2 fluroxene 1 0 MicroSource 1506162 FLUROXENE 126.029 FC(F)(F)COC=C DLEGDLSLRSOURQ-UHFFFAOYSA-N 9844 BRD-K56908511-001-02-0 fluroxene 1 0 MedChemEx HY-B1163 Fluroxene 126.029 FC(F)(F)COC=C DLEGDLSLRSOURQ-UHFFFAOYSA-N 9844 BRD-K77947974-001-16-3 fluspirilene 0 95.2 Enzo AC116 Fluspirilene 475.244 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 QOYHHIBFXOOADH-UHFFFAOYSA-N 3396 BRD-K77947974-001-18-9 fluspirilene 0 96.22 Sigma F100 Fluspirilene 475.244 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 QOYHHIBFXOOADH-UHFFFAOYSA-N 3396 BRD-K28307902-001-23-3 flutamide 0 84.58 Tocris 4094 Flutamide 276.072 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O MKXKFYHWDHIYRV-UHFFFAOYSA-N 3397 BRD-K28307902-001-21-7 flutamide 0 99.28 MicroSource 1500995 FLUTAMIDE 276.072 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O MKXKFYHWDHIYRV-UHFFFAOYSA-N 3397 BRD-K28307902-001-20-9 flutamide 0 96.45 Selleck S1908 Flutamide 276.072 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O MKXKFYHWDHIYRV-UHFFFAOYSA-N 3397 BRD-K62310379-001-12-1 fluticasone-propionate 0 89.09 Tocris 2007 Fluticasone propionate 500.184 "CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |c:18,t:14|" WMWTYOKRWGGJOA-CENSZEJFSA-N 444036 BRD-K62310379-001-14-9 fluticasone-propionate 0 91.24 Tocris 2007 Fluticasone propionate 500.184 "CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |c:18,t:14|" WMWTYOKRWGGJOA-CENSZEJFSA-N 444036 BRD-K62310379-001-13-9 fluticasone-propionate 0 93.69 Selleck S1992 Fluticasone propionate 500.184 "CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |c:18,t:14|" WMWTYOKRWGGJOA-CENSZEJFSA-N 444036 BRD-K40517875-001-01-0 BRD-K62310379-001-10-5 fluticasone-propionate 0 96.66 Tocris 2007 Fluticasone propionate 500.184 "CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |c:18,t:14|" WMWTYOKRWGGJOA-CENSZEJFSA-N 444036 BRD-A00218260-001-03-4 flutrimazole 0 99.39 SantaCruz sc-358236 346.128 Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1 |&1:7| QHMWCHQXCUNUAK-UHFFFAOYSA-N 3401 BRD-K66296774-001-07-9 fluvastatin 0 9.71 MicroSource 1504911 FLUVASTATIN 411.185 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 FJLGEFLZQAZZCD-MCBHFWOFSA-N 446155 BRD-K66296774-236-12-1 fluvastatin 0 93.58 Tocris 3309 Fluvastatin sodium 411.185 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 FJLGEFLZQAZZCD-MCBHFWOFSA-N 446155 BRD-M74726084-304-01-9 BRD-K66296774-236-11-3 fluvastatin 0 97.47 Selleck S1909 Fluvastatin sodium (Lescol) 411.185 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 FJLGEFLZQAZZCD-MCBHFWOFSA-N 446155 BRD-K66296774-236-10-5 fluvastatin 0 28.49 Selleck S1909 Fluvastatin Sodium 411.185 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 FJLGEFLZQAZZCD-MCBHFWOFSA-N 446155 BRD-K53517854-050-21-4 fluvoxamine 0 0 MicroSource 1505604 FLUVOXAMINE MALEATE 318.156 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F CJOFXWAVKWHTFT-XSFVSMFZSA-N 5324346 BRD-K53517854-050-22-9 fluvoxamine 0 95.13 Tocris 1033 Fluvoxamine maleate 318.156 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F CJOFXWAVKWHTFT-XSFVSMFZSA-N 5324346 BRD-K53517854-050-20-6 fluvoxamine 0 93.04 Tocris 1033 Fluvoxamine maleate 318.156 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F CJOFXWAVKWHTFT-XSFVSMFZSA-N 5324346 BRD-K53517854-051-01-4 fluvoxamine 0 93.31 Selleck S1336 Fluvoxamine maleate 318.156 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F CJOFXWAVKWHTFT-XSFVSMFZSA-N 5324346 BRD-K15327298-001-05-5 fmoc-L-leucine 0 99.78 Sigma MFCD00204311 (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid 353.163 CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O CBPJQFCAFFNICX-IBGZPJMESA-N 1549133 BRD-K00003096-001-01-9 FN-1501 0 95.77 MedChemEx HY-111361 FN-1501 431.218 CN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3ncnc4[nH]ccc34)cc2)CC1 VXLAKHWYGRKCGI-UHFFFAOYSA-N 72195175 BRD-K18673820-001-15-5 folic-acid 0 89.21 MicroSource 1502020 FOLIC ACID 441.14 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 OVBPIULPVIDEAO-LBPRGKRZSA-N 6037 BRD-K56810756-003-07-7 fomepizole 0 98.99 MicroSource 1505432 FOMEPIZOLE HYDROCHLORIDE 82.053 Cc1cn[nH]c1 RIKMMFOAQPJVMX-UHFFFAOYSA-N 3406 BRD-K56810756-001-08-9 fomepizole 0 92.35 MedChemEx HY-B0876 Fomepizole 82.053 Cc1cn[nH]c1 RIKMMFOAQPJVMX-UHFFFAOYSA-N 3406 BRD-K56810756-001-03-0 fomepizole 0 98.21 MicroSource 1506159 FOMEPIZOLE 82.053 Cc1cn[nH]c1 RIKMMFOAQPJVMX-UHFFFAOYSA-N 3406 BRD-K44942188-001-10-9 fomocaine 0 94.06 Sigma A_____329983 Fomocaine 311.189 C(CN1CCOCC1)Cc1ccc(COc2ccccc2)cc1 CVHGCWVMTZWGAY-UHFFFAOYSA-N 71693 BRD-K44942188-001-09-1 fomocaine 0 96.22 ChemDiv 1822-0278 311.189 C(CN1CCOCC1)Cc1ccc(COc2ccccc2)cc1 CVHGCWVMTZWGAY-UHFFFAOYSA-N 71693 BRD-K00003513-363-01-9 fondaparinux 0 93.3 MedChemEx HY-B0597 Fondaparinux (sodium) 1506.951 [H][C@@]1(O[C@@H]2[C@@H](COS(O)(=O)=O)O[C@H](O[C@@]3([H])[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@@]4([H])[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H](OC)O[C@@H]4COS(O)(=O)=O)O[C@H]3C(O)=O)[C@H](NS(O)(=O)=O)[C@H]2OS(O)(=O)=O)O[C@@H]([C@@H](O[C@@]2([H])O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2NS(O)(=O)=O)[C@H](O)[C@H]1O)C(O)=O KANJSNBRCNMZMV-ABRZTLGGSA-N 5282448 BRD-K03449891-001-08-6 foretinib 0 96.33 Selleck S1111 Foretinib (GSK1363089) 632.245 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 CXQHYVUVSFXTMY-UHFFFAOYSA-N 42642645 BRD-K03449891-001-06-0 foretinib 0 Selleck S1111 "Foretinib (GSK1363089, XL880)" 632.245 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 "InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)" 42642645 BRD-A26503646-001-16-6 formestane 0 100 MicroSource 1504116 FORMESTANE 302.188 "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |a:1,4,5,15,17,&1:8|" ZMEULISFKSVRLQ-LZBOESDWSA-N BRD-A26503646-001-20-9 formestane 0 71.92 MedChemEx HY-B0697 Formestane 302.188 "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |a:1,4,5,15,17,&1:8|" ZMEULISFKSVRLQ-LZBOESDWSA-N BRD-A26503646-001-18-2 formestane 0 96.73 Selleck S2208 Formestane 302.188 "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |a:1,4,5,15,17,&1:8|" ZMEULISFKSVRLQ-LZBOESDWSA-N BRD-A87468186-001-01-6 BRD-K55567017-001-14-9 formononetin 0 96.41 MedChemEx HY-N0183 Formononetin 268.074 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O HKQYGTCOTHHOMP-UHFFFAOYSA-N 5280378 BRD-K55567017-001-12-3 formononetin 0 96.93 Selleck S2299 Formononetin 268.074 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O HKQYGTCOTHHOMP-UHFFFAOYSA-N 5280378 BRD-K54006094-051-06-6 formoterol 0 94.6 Tocris 1448 Formoterol hemifumarate 344.174 COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 BPZSYCZIITTYBL-ORAYPTAESA-N 3034756 BRD-M00539986-051-06-0 BRD-K54006094-051-01-7 formoterol 0 89.53 Selleck S2020 Formoterol Hemifumarate 344.174 COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 BPZSYCZIITTYBL-ORAYPTAESA-N 3034756 BRD-M00539986-051-03-7 BRD-K54006094-051-10-9 formoterol 0 97.81 Tocris 1448 Formoterol hemifumarate 344.174 COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 BPZSYCZIITTYBL-ORAYPTAESA-N 3034756 BRD-K54006094-051-03-3 formoterol 0 98.09 Selleck S2020 Formoterol hemifumarate 344.174 COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 BPZSYCZIITTYBL-ORAYPTAESA-N 3034756 BRD-M00539986-051-05-2 BRD-K54006094-051-02-5 formoterol 0 84.08 Tocris 1448 Formoterol hemifumarate 344.174 COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 BPZSYCZIITTYBL-ORAYPTAESA-N 3034756 BRD-M00539986-051-04-5 BRD-K16505263-003-01-1 forodesine 0 97.5 MedChemEx HY-16209 Forodesine (hydrochloride) 266.102 OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1[nH]cnc2=O IWKXDMQDITUYRK-KUBHLMPHSA-N 135409409 BRD-K16505263-003-02-9 forodesine 0 100 MedChemEx HY-16209 Forodesine (hydrochloride) 266.102 OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1[nH]cnc2=O IWKXDMQDITUYRK-KUBHLMPHSA-N 135409409 BRD-K57774929-001-01-3 foropafant 0 97.36 Sigma SML0542 "N~1~,N~1~-dimethyl-N~2~-(3-pyridinylmethyl)-N~2~-[4-(2,4,6-triisopropylphenyl)-1,3-thiazol-2-yl]-1,2-ethanediamine" 464.297 CC(C)c1cc(C(C)C)c(-c2csc(n2)N(CCN(C)C)Cc2cccnc2)c(c1)C(C)C VVBFISAUNSXQGZ-UHFFFAOYSA-N 119368 BRD-K09602097-001-20-1 forskolin 0 99.68 Tocris 1099 Forskolin 410.23 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C OHCQJHSOBUTRHG-KGGHGJDLSA-N 47936 BRD-K09602097-001-13-6 forskolin 0 100 Tocris 1099 Forskolin 410.23 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C OHCQJHSOBUTRHG-KGGHGJDLSA-N 47936 BRD-K09602097-001-23-5 forskolin 0 99.1 Selleck S2449 Forskolin 410.23 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C OHCQJHSOBUTRHG-KGGHGJDLSA-N 47936 BRD-K77830450-001-05-7|BRD-K62498766-001-01-8 BRD-K59110290-238-01-7 fosamprenavir 0 93.28 MedChemEx HY-17431 Fosamprenavir (Calcium Salt) 585.191 CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 MLBVMOWEQCZNCC-OEMFJLHTSA-N 131536 BRD-K59110290-238-02-9 fosamprenavir 0 96.18 MedChemEx HY-17431 Fosamprenavir (Calcium Salt) 585.191 CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 MLBVMOWEQCZNCC-OEMFJLHTSA-N 131536 BRD-K23848629-401-05-2 fosaprepitant-dimeglumine 0 77.8 MedChemEx HY-14407A Fosaprepitant (dimeglumine) 614.117 C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F BARDROPHSZEBKC-OITMNORJSA-N 135413538 BRD-K23848629-401-04-5 fosaprepitant-dimeglumine 0 0 MedChemEx HY-14407A Fosaprepitant (dimeglumine) 614.117 C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F BARDROPHSZEBKC-OITMNORJSA-N 135413538 BRD-K23848629-401-02-9 fosaprepitant-dimeglumine 0 0 Selleck S3038 Fosaprepitant dimeglumine salt 614.117 C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F BARDROPHSZEBKC-OITMNORJSA-N 135413538 BRD-K23848629-401-03-7 fosaprepitant-dimeglumine 0 78.2 Selleck S3038 Fosaprepitant dimeglumine salt 614.117 C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F BARDROPHSZEBKC-OITMNORJSA-N 135413538 BRD-K06814349-304-02-7 fosbretabulin 0 90.79 MedChemEx HY-17449 Fosbretabulin (disodium) 396.097 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O WDOGQTQEKVLZIJ-WAYWQWQTSA-N 5351387 BRD-K06814349-304-01-9 fosbretabulin 0 79.41 MedChemEx HY-17449 Fosbretabulin (disodium) 396.097 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O WDOGQTQEKVLZIJ-WAYWQWQTSA-N 5351387 BRD-K85146014-314-06-2 foscarnet 1 0 MicroSource 1502019 FOSCARNET SODIUM 125.972 OC(=O)P(O)(O)=O ZJAOAACCNHFJAH-UHFFFAOYSA-N 3415 BRD-K85146014-314-05-4 foscarnet 1 0 Selleck S3076 Foscarnet Sodium 125.972 OC(=O)P(O)(O)=O ZJAOAACCNHFJAH-UHFFFAOYSA-N 3415 BRD-K85146014-314-07-0 foscarnet 1 0 Selleck S3076 Foscarnet Sodium 125.972 OC(=O)P(O)(O)=O ZJAOAACCNHFJAH-UHFFFAOYSA-N 3415 BRD-K85146014-314-08-8 foscarnet 1 0 Selleck S3076 Foscarnet Sodium 125.972 OC(=O)P(O)(O)=O ZJAOAACCNHFJAH-UHFFFAOYSA-N 3415 BRD-K20801936-001-01-9 fosfestrol 0 0 MatrixSci 59774 428.079 CC\C(=C(\CC)c1ccc(OP(O)(O)=O)cc1)c1ccc(OP(O)(O)=O)cc1 NLORYLAYLIXTID-ISLYRVAYSA-N 3032325 BRD-K00003384-001-01-9 fosfluconazole 0 63.38 MedChemEx HY-100666 Fosfluconazole 386.07 OP(O)(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F GHJWNRRCRIGGIO-UHFFFAOYSA-N 214356 BRD-K81101512-238-06-9 fosfomycin 0 8.3 MedChemEx HY-B1075 Fosfomycin (calcium) 138.008 C[C@@H]1O[C@@H]1P(O)(O)=O YMDXZJFXQJVXBF-STHAYSLISA-N 446987 BRD-K81101512-234-01-9 fosfomycin 0 100 Selleck S4385 Fosfomycin Tromethamine 138.008 C[C@@H]1O[C@@H]1P(O)(O)=O YMDXZJFXQJVXBF-STHAYSLISA-N 446987 BRD-K48461310-234-01-3 BRD-K81101512-304-02-8 fosfomycin 0 0 CombiBlocks OR-4912 Fosfomycin sodium 138.008 C[C@@H]1O[C@@H]1P(O)(O)=O YMDXZJFXQJVXBF-STHAYSLISA-N 446987 BRD-K28687144-001-07-9 fosfosal 0 64.03 MicroSource 1502012 FOSFOSAL 217.998 OC(=O)c1ccccc1OP(O)(O)=O FFKUDWZICMJVPA-UHFFFAOYSA-N 3418 BRD-K28687144-001-08-7 fosfosal 0 84.64 Sigma MFCD00042645 2-(phosphonooxy)benzoic acid 217.998 OC(=O)c1ccccc1OP(O)(O)=O FFKUDWZICMJVPA-UHFFFAOYSA-N 3418 BRD-K27963513-236-01-3 fosfructose 0 1.47 CombiBlocks QC-8918 "Fructose-1,6-diphosphate sodium salt" 339.996 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O XPYBSIWDXQFNMH-UYFOZJQFSA-N 84951 BRD-A51382177-236-03-0 fosinopril 0 88.75 Selleck S2095 Fosinopril sodium (Monopril) 563.301 "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C |a:5,24,26,&1:7|" BIDNLKIUORFRQP-AJTMIRJTSA-N 6708482 BRD-A51382177-236-04-8 fosinopril 0 97.48 Selleck S2095 Fosinopril sodium (Monopril) 563.301 "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C |a:5,24,26,&1:7|" BIDNLKIUORFRQP-AJTMIRJTSA-N 6708482 BRD-A33506612-001-01-2 fosinoprilat 0 61.88 AvaChem 2813 "(2S,4S)-4-cyclohexyl-1-{[hydroxy(4-phenylbutyl)phosphoryl]acetyl}-2-pyrrolidinecarboxylic acid" 435.217 "OC(=O)[C@@H]1C[C@H](CN1C(=O)C[P@](O)(=O)CCCCc1ccccc1)C1CCCCC1 |a:3,5,&1:11|" WOIWWYDXDVSWAZ-RTWAWAEBSA-N 62956 BRD-K53809807-304-02-4 fosphenytoin 0 94.91 CombiBlocks QA-8988 "sodium (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate" 362.067 OP(O)(=O)OCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1 XWLUWCNOOVRFPX-UHFFFAOYSA-N 56339 BRD-K53809807-304-01-6 fosphenytoin 0 0 AKSci K681 362.067 OP(O)(=O)OCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1 XWLUWCNOOVRFPX-UHFFFAOYSA-N 56339 BRD-K85178109-001-03-1 fostamatinib 0 92.92 Selleck S2625 R788 (Fostamatinib) 580.148 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC GKDRMWXFWHEQQT-UHFFFAOYSA-N 11671467 BRD-K85178109-304-04-9 fostamatinib 0 80.92 MedChemEx HY-13038 Fostamatinib Disodium 580.148 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC GKDRMWXFWHEQQT-UHFFFAOYSA-N 11671467 BRD-K85178109-001-02-3 fostamatinib 0 75.97 Selleck S2625 Fostamatinib (R788) 580.148 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC GKDRMWXFWHEQQT-UHFFFAOYSA-N 11671467 BRD-K00003191-001-01-9 fostemsavir 0 97.19 MedChemEx HY-15440A Fostemsavir 583.158 COc1cnc(-n2cnc(C)n2)c2n(COP(O)(O)=O)cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 SWMDAPWAQQTBOG-UHFFFAOYSA-N 11319217 BRD-A62893078-001-02-3 fotemustine 0 36.92 MedChemEx HY-B0733 Fotemustine 315.075 "CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)[NH2+][O-] |&1:8,r|" UETIXAMLWBFWOE-QMMMGPOBSA-N BRD-A62893078-001-01-5 fotemustine 0 0 MedChemEx HY-B0733 Fotemustine 315.075 "CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)[NH2+][O-] |&1:8,r|" UETIXAMLWBFWOE-QMMMGPOBSA-N BRD-K13005598-001-02-3 foxy-5 0 99.26 Tocris 5461 694.23 CSCC[C@H](NC=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O WFZPJYYCTSHDJI-ATIWLJMLSA-N 44628955 BRD-M17926088-001-02-1 FPA-124 1 0 Tocris 2926 4-oxo-4H-chromene-3-carbaldehyde thiosemicarbazone compound with dichlorocopper (1:1) 379.909 Cl[Cu]Cl.NC(=S)N\N=C\c1coc2ccccc2c1=O HZRXQEVFXXQYFS-VBPDOGLUSA-L 73438499 BRD-M17926088-001-01-3 FPA-124 1 0 Tocris 2926 FPA 124 379.909 Cl[Cu]Cl.NC(=S)N\N=C\c1coc2ccccc2c1=O HZRXQEVFXXQYFS-VBPDOGLUSA-L 73438499 BRD-K61250484-001-02-3 FPH1-(BRD-6125) 0 96.07 Selleck S7451 FPH1 (BRD-6125) 388.046 Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O WAOBCCBUTHNTFO-UHFFFAOYSA-N 2210370 BRD-K61250484-001-03-1 FPH1-(BRD-6125) 0 95.96 Selleck S7451 FPH1 388.046 Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O WAOBCCBUTHNTFO-UHFFFAOYSA-N 2210370 BRD-A09368919-001-01-7 FPL-12495 0 92.23 Enamine Z2379179579 "1,2-diphenyl-2-propanamine" 211.136 CC(N)(Cc1ccccc1)c1ccccc1 |&1:1| JINQHBRSXWQJAZ-UHFFFAOYSA-N 164087 BRD-A96456596-001-02-2 FPL-55712 0 97.14 Tocris 2276 FPL 55712 498.189 "CCCc1c(OC[C@@H](O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O |&1:7,r|" LMQBMWHHGVZWMR-MRXNPFEDSA-N 92460042 BRD-A96456596-001-03-9 FPL-55712 0 95.49 Tocris 2276 FPL 55712 498.189 "CCCc1c(OC[C@@H](O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O |&1:7,r|" LMQBMWHHGVZWMR-MRXNPFEDSA-N 92460042 BRD-K59875992-001-01-8 FPL-62064 0 86.14 Astatech FD7168 N-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-3-AMINE 265.122 COc1ccc(Nc2ccn(n2)-c2ccccc2)cc1 WKLGNFJHVJIZPK-UHFFFAOYSA-N 128268 BRD-K78959463-001-15-7 FPL-64176 0 98.96 Tocris 1403 FPL 64176 347.152 COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 MDMWHKZANMNXTF-UHFFFAOYSA-N 3423 BRD-K78959463-001-16-9 FPL-64176 0 98.13 Tocris 1403 FPL 64176 347.152 COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 MDMWHKZANMNXTF-UHFFFAOYSA-N 3423 BRD-K78959463-001-13-2 FPL-64176 0 98.64 Tocris 1403 FPL 64176 347.152 COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 MDMWHKZANMNXTF-UHFFFAOYSA-N 3423 BRD-K87691185-001-01-2 FPS-ZM1 0 97.01 MedChemEx HY-19370 FPS-ZM1 327.139 Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1 XDFKWGIBQMHSOH-UHFFFAOYSA-N 24752728 BRD-K30990140-003-03-9 FR-122047 0 94.55 Tocris 1507 FR 122047 hydrochloride 423.162 COc1ccc(cc1)-c1nc(sc1-c1ccc(OC)cc1)C(=O)N1CCN(C)CC1 UBHKJRYGKOSQDJ-UHFFFAOYSA-N 196841 BRD-K30990140-003-02-4 FR-122047 0 98.1 Tocris 1507 FR 122047 hydrochloride 423.162 COc1ccc(cc1)-c1nc(sc1-c1ccc(OC)cc1)C(=O)N1CCN(C)CC1 UBHKJRYGKOSQDJ-UHFFFAOYSA-N 196841 BRD-K19318328-001-02-1 FR-139317 0 97.59 Tocris 1210 FR 139317 604.337 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O LIOKMIQQPDDTNO-UPRLRBBYSA-N 107810 BRD-K19318328-001-03-9 FR-139317 0 94.71 Tocris 1210 FR 139317 604.337 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O LIOKMIQQPDDTNO-UPRLRBBYSA-N 107810 BRD-K19318328-001-01-3 FR-139317 0 93.35 Tocris 1210 FR 139317 604.337 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O LIOKMIQQPDDTNO-UPRLRBBYSA-N 107810 BRD-K68756823-001-10-5 FR-180204 0 85.02 Tocris 3706 FR 180204 327.123 Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 XVECMUKVOMUNLE-UHFFFAOYSA-N 53338808 BRD-K68756823-001-07-1 FR-180204 0 97.63 Tocris 3706 FR 180204 327.123 Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 XVECMUKVOMUNLE-UHFFFAOYSA-N 53338808 BRD-K68756823-001-11-3 FR-180204 0 78.44 Adooq A14119 "5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine" 327.123 Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 XVECMUKVOMUNLE-UHFFFAOYSA-N 53338808 BRD-K57243773-001-02-4 FRAX486 0 79.06 Tocris 5190 FRAX 486 512.129 CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O DHKFOIHIUYFSOF-UHFFFAOYSA-N 68060125 BRD-K57243773-001-01-6 FRAX486 0 93.24 MedChemEx HY-15542B FRAX486 512.129 CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O DHKFOIHIUYFSOF-UHFFFAOYSA-N 68060125 BRD-K07202345-001-19-4 frentizole 0 87.55 MedChemEx HY-15374 Frentizole 299.073 COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1 JHBWYQRKOUBPCA-UHFFFAOYSA-N 33334 BRD-K00004668-001-01-9 freselestat 0 92.52 Adooq A12780.obs1190502 Freselestat 454.233 CC(C)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)[C@@H](O)c1nnc(o1)C(C)(C)C HMPQTEPEMQZWQH-QZTJIDSGSA-N 46936829 BRD-K08255599-365-01-1 frovatriptan 0 91.96 Sigma SML1291 "(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide succinate hydrate" 243.137 CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O XPSQPHWEGNHMSK-SECBINFHSA-N 77992 BRD-K70504253-001-01-3 fruquintinib 0 97.88 MedChemEx HY-19912 Fruquintinib 393.132 CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12 BALLNEJQLSTPIO-UHFFFAOYSA-N 44480399 BRD-K00003378-001-01-9 FT011 0 95.13 MedChemEx HY-100495 FT011 351.111 COc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1OCC#C UIWZIDIJCUEOMT-PKNBQFBNSA-N 23648966 BRD-K05724540-001-09-9 ftaxilide 0 91.41 MedChemEx HY-B1040 Ftaxilide 269.105 Cc1cccc(C)c1NC(=O)c1ccccc1C(O)=O LLECMGGNFBKPRH-UHFFFAOYSA-N 71895 BRD-K05724540-001-08-5 ftaxilide 0 66.74 MicroSource 1504523 FTAXILIDE 269.105 Cc1cccc(C)c1NC(=O)c1ccccc1C(O)=O LLECMGGNFBKPRH-UHFFFAOYSA-N 71895 BRD-K99383816-001-03-5 ftorafur 0 100 Selleck S1300 "Tegafur (FT-207, NSC 148958)" 200.06 Fc1cn([C@H]2CCCO2)c(=O)[nH]c1=O WFWLQNSHRPWKFK-ZCFIWIBFSA-N 288216 BRD-K99383816-001-02-7 ftorafur 0 89.97 Selleck S1300 FT-207 (NSC 148958) 200.06 Fc1cn([C@H]2CCCO2)c(=O)[nH]c1=O WFWLQNSHRPWKFK-ZCFIWIBFSA-N 288216 BRD-K99383816-001-04-9 ftorafur 0 100 MedChemEx HY-17400 Tegafur 200.06 Fc1cn([C@H]2CCCO2)c(=O)[nH]c1=O WFWLQNSHRPWKFK-ZCFIWIBFSA-N 288216 BRD-K00003355-001-01-9 fucoxanthin 0 100 MedChemEx HY-N2302 Fucoxanthin 658.423 [H]C(=[C@@]=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C SJWWTRQNNRNTPU-BWRPRJLXSA-N 5364094 BRD-K54838207-001-04-9 fudosteine 0 100 MedChemEx HY-B0393 Fudosteine 179.062 N[C@@H](CSCCCO)C(O)=O KINWYTAUPKOPCQ-YFKPBYRVSA-N 36689154 BRD-K54838207-001-03-8 fudosteine 0 100 Selleck S2129 Fudosteine 179.062 N[C@@H](CSCCCO)C(O)=O KINWYTAUPKOPCQ-YFKPBYRVSA-N 36689154 BRD-K54838207-001-02-0 fudosteine 0 79.81 Selleck S2129 Fudosteine 179.062 N[C@@H](CSCCCO)C(O)=O KINWYTAUPKOPCQ-YFKPBYRVSA-N 36689154 BRD-A85667082-001-10-1 fulvestrant 0 93.37 Tocris 1047 "ICI 182,780" 606.317 "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |a:1,4,5,6,9,11,&1:21|" VWUXBMIQPBEWFH-CIAKRVSBSA-N 57300161 BRD-A03249105-001-02-7 BRD-A85667082-001-11-9 fulvestrant 0 91.53 MicroSource 1502281 FULVESTRANT 606.317 "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |a:1,4,5,6,9,11,&1:21|" VWUXBMIQPBEWFH-CIAKRVSBSA-N 57300161 BRD-A50947932-001-01-9 BRD-A85667082-001-12-7 fulvestrant 0 97.7 Tocris 1047 "ICI 182,780" 606.317 "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |a:1,4,5,6,9,11,&1:21|" VWUXBMIQPBEWFH-CIAKRVSBSA-N 57300161 BRD-A03249105-001-01-9 BRD-A85667082-001-13-5 fulvestrant 0 94.65 Selleck S1191 Fulvestrant 606.317 "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |a:1,4,5,6,9,11,&1:21|" VWUXBMIQPBEWFH-CIAKRVSBSA-N 57300161 BRD-A17828570-001-02-8|BRD-A52958897-001-01-7 BRD-A99367815-001-04-9 fumagillin 0 86.8 MedChemEx HY-B0751 Fumagillin 458.23 "CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O |a:2,3,6,10,13,&1:9|" NGGMYCMLYOUNGM-FKSJYSFPSA-N 12015870 BRD-A99367815-001-01-5 fumagillin 0 65.41 Enzo CT100 Fumagillin 458.23 "CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O |a:2,3,6,10,13,&1:9|" NGGMYCMLYOUNGM-FKSJYSFPSA-N 12015870 BRD-A99367815-001-03-1 fumagillin 0 75.6 MedChemEx HY-B0751 Fumagillin 458.23 "CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O |a:2,3,6,10,13,&1:9|" NGGMYCMLYOUNGM-FKSJYSFPSA-N 12015870 BRD-K61915943-001-02-9 fumonisin-B1 0 0 MedChemEx HY-N6719 Fumonisin B1 721.388 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O UVBUBMSSQKOIBE-DSLOAKGESA-N 2733487 BRD-K00004702-001-01-9 funapide 0 94.46 AMS L14544 Funapide 429.082 FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1 NEBUOXBYNAHKFV-NRFANRHFSA-N 49836093 BRD-K00003314-001-01-9 furagin 0 84.97 MedChemEx HY-77036 Furagin 264.049 [O-][N+](=O)c1ccc(\C=C\C=N\N2CC(=O)NC2=O)o1 DECBQELQORZLLP-UAIOPKHMSA-N 6870646 BRD-K01824979-003-03-9 furaltadone 0 81.13 MedChemEx HY-B1148 Furaltadone (hydrochloride) 324.107 "[O-][N+](=O)c1ccc(\C=N\N2C[C@@H](CN3CCOCC3)OC2=O)o1 |&1:11,r|" YVQVOQKFMFRVGR-LLUUXILJSA-N 6604316 BRD-K01824979-001-02-9 furaltadone 0 83.59 MicroSource 1505770 FURALTADONE 324.107 "[O-][N+](=O)c1ccc(\C=N\N2C[C@@H](CN3CCOCC3)OC2=O)o1 |&1:11,r|" YVQVOQKFMFRVGR-LLUUXILJSA-N 6604316 BRD-K77758223-300-02-9 furamidine 0 93.75 Tocris 5202 Furamidine dihydrochloride 304.132 NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N ZJHZBDRZEZEDGB-UHFFFAOYSA-N 126437 BRD-K77758223-300-01-1 furamidine 0 76.91 Tocris 5202 Furamidine dihydrochloride 304.132 NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N ZJHZBDRZEZEDGB-UHFFFAOYSA-N 126437 BRD-K11756522-001-10-9 furazolidone 0 76.07 MedChemEx HY-B1336 Furazolidone 225.039 [O-][N+](=O)c1ccc(\C=N\N2CCOC2=O)o1 PLHJDBGFXBMTGZ-WEVVVXLNSA-N 5323714 BRD-K11756522-001-09-9 furazolidone 0 91.67 MicroSource 1500309 FURAZOLIDONE 225.039 [O-][N+](=O)c1ccc(\C=N\N2CCOC2=O)o1 PLHJDBGFXBMTGZ-WEVVVXLNSA-N 5323714 BRD-K55529781-236-03-8 furegrelate 0 98.91 Cayman 70540 sodium 5-(3-pyridinylmethyl)-1-benzofuran-2-carboxylate 253.074 OC(=O)c1cc2cc(Cc3cccnc3)ccc2o1 VHWFITPGPFLBGT-UHFFFAOYSA-N 3437 BRD-K78010432-001-24-9 furosemide 0 94.46 Tocris 3109 Furosemide 330.008 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl ZZUFCTLCJUWOSV-UHFFFAOYSA-N 3440 BRD-K78010432-001-20-7 furosemide 0 97.15 Selleck S1603 Furosemide 330.008 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl ZZUFCTLCJUWOSV-UHFFFAOYSA-N 3440 BRD-K78010432-001-27-9 furosemide 0 96.34 Tocris 3109 Furosemide 330.008 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl ZZUFCTLCJUWOSV-UHFFFAOYSA-N 3440 BRD-K78010432-001-21-5 furosemide 0 99.55 MicroSource 1500310 FUROSEMIDE 330.008 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl ZZUFCTLCJUWOSV-UHFFFAOYSA-N 3440 BRD-A71157293-003-10-0 fursultiamine 0 99.61 Prestwick Prestw-1007 Fursultiamine Hydrochloride 398.145 C\C(N(Cc1cnc(C)nc1N)C=O)=C(\CCO)SSC[C@H]1CCCO1 |&1:21| JTLXCMOFVBXEKD-XYGUXCPDSA-N 38988761 BRD-A71157293-001-11-9 fursultiamine 0 94.91 MedChemEx HY-B2082 Fursultiamine 398.145 C\C(N(Cc1cnc(C)nc1N)C=O)=C(\CCO)SSC[C@H]1CCCO1 |&1:21| JTLXCMOFVBXEKD-XYGUXCPDSA-N 38988761 BRD-K00004693-001-01-9 furvina 0 0 Labotest LT00894715 2-bromo-5-[(E)-2-bromo-2-nitroethenyl]furan 294.848 [O-][N+](=O)C(\Br)=C/c1ccc(Br)o1 MJPPGVVIDGQOQT-HYXAFXHYSA-N 6438461 BRD-K78355918-236-09-9 fusidic-acid 0 94.82 MedChemEx HY-B1350A Fusidic acid (sodium salt) 516.345 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O IECPWNUMDGFDKC-MZJAQBGESA-N 3000226 BRD-K00003392-001-01-9 futibatinib 0 96.33 MedChemEx HY-100818 Futibatinib 418.175 COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 KEIPNCCJPRMIAX-HNNXBMFYSA-N 71621331 BRD-K62696033-001-01-4 G-1 0 97.15 Tocris 3577 G-1 411.047 CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |c:11| VHSVKVWHYFBIFJ-HKZYLEAXSA-N 5322399 BRD-K62696033-001-02-9 G-1 0 96.53 Tocris 3577 G-1 411.047 CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |c:11| VHSVKVWHYFBIFJ-HKZYLEAXSA-N 5322399 BRD-K00004290-001-01-9 G-15 0 95.87 Tocris 3678 G-15 369.036 "Brc1cc2OCOc2cc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@@H]12 |&1:10,18,22,c:22|" YOLTZIVRJAPVPH-MVBJNABHSA-N 25727983 BRD-K00003126-001-01-9 G-749 0 92.89 MedChemEx HY-12333 G-749 520.122 CN1CCC(CC1)Nc1nc(Nc2ccc(Oc3ccccc3)cc2)c2c(O)ncc(Br)c2n1 SXWMIXPJPNCXQQ-UHFFFAOYSA-N 78357765 BRD-K26878113-001-01-6 g-caryophyllene 0 0 Sigma MFCD00075925 "(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene" 204.188 C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 |c:1| NPNUFJAVOOONJE-GFUGXAQUSA-N 5281515 BRD-K12198961-001-01-8 G007-LK 0 97.94 MedChemEx HY-12438 G007-LK 529.072 CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl HIWVLHPKZNBSBE-OUKQBFOZSA-N 67960134 BRD-K46254452-001-01-5 GABA-linoleamide 1 0 Enzo EL131 Linoleoyl GABA 365.293 CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCCC(O)=O YGFYZZQGVSUXJE-HZJYTTRNSA-N 6438152 BRD-K62737565-001-09-5 gabapentin 0 100 Selleck S2133 Gabapentin (Neurontin) 171.126 NCC1(CC(O)=O)CCCCC1 UGJMXCAKCUNAIE-UHFFFAOYSA-N 6919078 BRD-K62737565-001-10-3 gabapentin 0 100 MicroSource 1505805 GABAPENTIN 171.126 NCC1(CC(O)=O)CCCCC1 UGJMXCAKCUNAIE-UHFFFAOYSA-N 6919078 BRD-K62737565-003-02-6 gabapentin 0 100 Selleck S1338 Gabapentin Hydrochloride 171.126 NCC1(CC(O)=O)CCCCC1 UGJMXCAKCUNAIE-UHFFFAOYSA-N 6919078 BRD-A86665761-001-01-1 gabapentin-enacarbil 0 89.16 AdvChemBlocks G-5813 {1-[({[1-(isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid 329.184 "CC(C)C(=O)O[C@@H](C)OC(=O)NCC1(CC(O)=O)CCCCC1 |&1:6,r|" TZDUHAJSIBHXDL-GFCCVEGCSA-N 66864580 BRD-K79905821-004-04-4 gabazine 0 96.69 Tocris 1262 SR 95531 hydrobromide 287.127 COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 ACVGNKYJVGNLIL-UHFFFAOYSA-N 107896 BRD-K79905821-004-14-9 gabazine 0 95.58 Tocris 1262 SR 95531 hydrobromide 287.127 COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 ACVGNKYJVGNLIL-UHFFFAOYSA-N 107896 BRD-K79905821-004-03-6 gabazine 0 98.53 Tocris 1262 SR 95531 hydrobromide 287.127 COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 ACVGNKYJVGNLIL-UHFFFAOYSA-N 107896 BRD-K59256312-066-17-3 gabexate 0 71.6 MedChemEx HY-B0385 Gabexate (mesylate) 321.169 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 YKGYIDJEEQRWQH-UHFFFAOYSA-N 3447 BRD-K59256312-066-13-2 gabexate 0 71.13 Selleck S2101 Gabexate Mesylate 321.169 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 YKGYIDJEEQRWQH-UHFFFAOYSA-N 3447 BRD-K59256312-066-16-5 gabexate 0 58.11 MedChemEx HY-B0385 Gabexate (mesylate) 321.169 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 YKGYIDJEEQRWQH-UHFFFAOYSA-N 3447 BRD-K59256312-066-15-7 gabexate 0 85.7 Selleck S2101 Gabexate mesylate 321.169 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 YKGYIDJEEQRWQH-UHFFFAOYSA-N 3447 BRD-K59256312-066-14-0 gabexate 0 65.77 Tocris 1798 Gabexate mesylate 321.169 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 YKGYIDJEEQRWQH-UHFFFAOYSA-N 3447 BRD-K89104321-003-16-3 gaboxadol 0 97.8 Tocris 807 THIP hydrochloride 140.059 O=c1[nH]oc2CNCCc12 ZXRVKCBLGJOCEE-UHFFFAOYSA-N 3448 BRD-K89104321-003-15-5 gaboxadol 0 100 MicroSource 1503648 GABOXADOL HYDROCHLORIDE 140.059 O=c1[nH]oc2CNCCc12 ZXRVKCBLGJOCEE-UHFFFAOYSA-N 3448 BRD-K89104321-003-18-9 gaboxadol 0 100 Tocris 807 THIP hydrochloride 140.059 O=c1[nH]oc2CNCCc12 ZXRVKCBLGJOCEE-UHFFFAOYSA-N 3448 BRD-K89104321-003-14-8 gaboxadol 0 100 Tocris 807 THIP hydrochloride 140.059 O=c1[nH]oc2CNCCc12 ZXRVKCBLGJOCEE-UHFFFAOYSA-N 3448 BRD-K00003579-001-01-9 gadobutrol 0 81.6 MedChemEx HY-16217 Gadobutrol 605.133 "[H]O[C@@H](CO)[C@H](CO)N1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C3)OC(=O)C2 |&1:2,5|" ZPDFIIGFYAHNSK-YYLIZZNMSA-K 70678987 BRD-K38140108-001-02-9 gadodiamide 0 99.3 MedChemEx HY-B0787 Gadodiamide 574.102 CNC(=O)CN1CCN2CCN(CC(=O)NC)CC(=O)O[Gd](OC(=O)C1)OC(=O)C2 HZHFFEYYPYZMNU-UHFFFAOYSA-K 24847884 BRD-K38140108-002-01-2 gadodiamide 0 100 Selleck S1751 Gadodiamide 574.102 CNC(=O)CN1CCN2CCN(CC(=O)NC)CC(=O)O[Gd](OC(=O)C1)OC(=O)C2 HZHFFEYYPYZMNU-UHFFFAOYSA-K 24847884 BRD-M27076668-002-02-9 BRD-K25106841-001-01-2 gadopentetic-acid 0 0 Sigma MFCD02092653 gadolinium (bis{2-[(carboxymethyl)(2-oxido-2-oxoethyl)amino]ethyl}amino)acetate hydrate 548.039 OC(=O)CN1CCN2CCN(CC(O)=O)CC(=O)O[Gd](OC(=O)C1)OC(=O)C2 IZOOGPBRAOKZFK-UHFFFAOYSA-K 6857474 BRD-M44547596-002-01-7 BRD-K11099631-001-08-4 gadoterate-meglumine 0 97.1 Sigma 86734 "2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid" 404.191 OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 WDLRUFUQRNWCPK-UHFFFAOYSA-N 121841 BRD-K11099631-001-07-6 gadoterate-meglumine 0 0 TCI T1875 404.191 OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 WDLRUFUQRNWCPK-UHFFFAOYSA-N 121841 BRD-A72401848-001-02-2 gadoteridol 0 86.8 Kemprotec 120066-54-8 "gadolinium(III) 2,2',2''-(10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate" 559.128 "C[C@@H](O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C2)OC(=O)C3 |&1:1,r|" DPNNNPAKRZOSMO-PFEQFJNWSA-K 101671780 BRD-M87846614-001-02-9 BRD-A72401848-001-01-4 gadoteridol 1 0 MicroSource 1503834 GADOTERIDOL 559.128 "C[C@@H](O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C2)OC(=O)C3 |&1:1,r|" DPNNNPAKRZOSMO-PFEQFJNWSA-K 101671780 BRD-M87846614-001-01-1 BRD-K00003410-001-01-9 GAL-021 0 95.98 MedChemEx HY-101422 GAL-021 254.186 CCCNc1nc(NCCC)nc(n1)N(C)OC FJNLCHNQVJVCPY-UHFFFAOYSA-N 57340959 BRD-K49481516-001-01-5 galantamine 0 97.2 MicroSource 1501202 GALANTAMINE 287.152 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:12| ASUTZQLVASHGKV-JDFRZJQESA-N 9651 BRD-K49481516-004-18-3 galantamine 0 98.59 Tocris 686 Galanthamine hydrobromide 287.152 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:12| ASUTZQLVASHGKV-JDFRZJQESA-N 9651 BRD-K00004319-001-01-9 galeterone 0 95.97 Tocris 6108 Galeterone 388.251 "[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,27|" PAFKTGFSEFKSQG-PAASFTFBSA-N 11188409 BRD-K00003270-003-01-9 galidesivir 0 100 MedChemEx HY-18649 Galidesivir (hydrochloride) 265.117 Nc1ncnc2c(c[nH]c12)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O AMFDITJFBUXZQN-KUBHLMPHSA-N 10445549 BRD-K43106192-320-12-9 gallamine-triethiodide 0 0 MedChemEx HY-B0416 Gallamine Triethiodide 510.463 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC OZLPUNFFCJDMJD-UHFFFAOYSA-N 3450 BRD-K43106192-320-09-2 gallamine-triethiodide 0 0 Selleck S2471 Gallamine Triethiodide 510.463 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC OZLPUNFFCJDMJD-UHFFFAOYSA-N 3450 BRD-K43106192-320-10-0 gallamine-triethiodide 0 0 MicroSource 1500312 GALLAMINE TRIETHIODIDE 510.463 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC OZLPUNFFCJDMJD-UHFFFAOYSA-N 3450 BRD-K43106192-320-11-8 gallamine-triethiodide 0 98.46 Selleck S2471 Gallamine triethiodide (Flaxedil) 510.463 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC OZLPUNFFCJDMJD-UHFFFAOYSA-N 3450 BRD-K77345217-001-05-0 gallic-acid 0 98.82 MicroSource 210369 GALLIC ACID 170.022 OC(=O)c1cc(O)c(O)c(O)c1 LNTHITQWFMADLM-UHFFFAOYSA-N 370 BRD-K77345217-001-06-9 gallic-acid 0 99 MedChemEx HY-N0523 Gallic acid 170.022 OC(=O)c1cc(O)c(O)c(O)c1 LNTHITQWFMADLM-UHFFFAOYSA-N 370 BRD-K46648676-001-01-8 gallium-triquinolin-8-olate 1 0 Sigma MFCD00919188 gallium triquinolin-8-olate 501.06 O([Ga](Oc1cccc2cccnc12)Oc1cccc2cccnc12)c1cccc2cccnc12 KWQNQSDKCINQQP-UHFFFAOYSA-K 9806063 BRD-A52922642-001-03-7 gallopamil 0 97.61 Enzo AC103 Methoxy verapamil 484.294 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC |&1:13| XQLWNAFCTODIRK-UHFFFAOYSA-N 1234 BRD-A52922642-001-04-5 gallopamil 0 99.13 Sigma M5644-50MG (+/-)-Methoxyverapamil hydrochloride 484.294 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC |&1:13| XQLWNAFCTODIRK-UHFFFAOYSA-N 1234 BRD-K08542803-001-01-5 gambogic-acid 0 81.89 MedChemEx HY-N0087 Gambogic Acid 628.304 "CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C |c:22,33|" GEZHEQNLKAOMCA-RRZNCOCZSA-N 9852185 BRD-K08542803-001-02-3 gambogic-acid 0 76.37 MedChemEx HY-N0087 Gambogic Acid 628.304 "CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C |c:22,33|" GEZHEQNLKAOMCA-RRZNCOCZSA-N 9852185 BRD-K08542803-001-03-1 gambogic-acid 0 51.83 Enzo AP305 Gambogic acid 628.304 "CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C |c:22,33|" GEZHEQNLKAOMCA-RRZNCOCZSA-N 9852185 BRD-A76999758-001-01-1 BRD-K00003489-001-01-9 gamithromycin 0 98.9 MedChemEx HY-108365 Gamithromycin 776.54 [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)N(CCC)C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C VWAMTBXLZPEDQO-RHJMDXJBSA-N BRD-K77245796-003-01-6 gamma-aminobutyric-acid 0 100 MicroSource 1500678 gamma-AMINOBUTYRIC ACID HYDROCHLORIDE 103.063 NCCCC(O)=O BTCSSZJGUNDROE-UHFFFAOYSA-N 6992099 BRD-K77245796-001-23-9 gamma-aminobutyric-acid 0 0 MedChemEx HY-N0067 ?-Aminobutyric acid 103.063 NCCCC(O)=O BTCSSZJGUNDROE-UHFFFAOYSA-N 6992099 BRD-K18059238-001-13-8 gamma-linolenic-acid 0 31.38 Sigma MFCD00065718 "(6Z,9Z,12Z)-6,9,12-octadecatrienoic acid" 278.225 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O VZCCETWTMQHEPK-QNEBEIHSSA-N 5280933 BRD-K18059238-001-10-4 gamma-linolenic-acid 0 87.22 Enzo FA006 gamma-Linolenic acid (18:3 n-6) 278.225 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O VZCCETWTMQHEPK-QNEBEIHSSA-N 5280933 BRD-K18059238-001-11-2 gamma-linolenic-acid 0 0 Cayman 90220 278.225 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O VZCCETWTMQHEPK-QNEBEIHSSA-N 5280933 BRD-K28217197-001-01-4 ganaxolone 0 100 Tocris 2531 Ganaxolone 332.272 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C PGTVWKLGGCQMBR-FLBATMFCSA-N 6918305 BRD-K28217197-001-02-9 ganaxolone 0 100 Tocris 2531 Ganaxolone 332.272 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C PGTVWKLGGCQMBR-FLBATMFCSA-N 6918305 BRD-K22662435-001-18-3 ganciclovir 0 92.78 MicroSource 1502362 GANCICLOVIR 255.097 Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1 IRSCQMHQWWYFCW-UHFFFAOYSA-N 135398740 BRD-K22662435-001-17-5 ganciclovir 0 71.69 Selleck S1878 Ganciclovir 255.097 Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1 IRSCQMHQWWYFCW-UHFFFAOYSA-N 135398740 BRD-K22662435-001-19-1 ganciclovir 0 100 Selleck S1878 Ganciclovir 255.097 Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1 IRSCQMHQWWYFCW-UHFFFAOYSA-N 135398740 BRD-K38852836-001-02-1 ganetespib 0 97.44 Selleck S1159 Ganetespib (STA-9090) 364.154 CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O RVAQIUULWULRNW-UHFFFAOYSA-N 135564985 BRD-K38852836-001-04-9 ganetespib 0 98.5 MedChemEx HY-15205 Ganetespib 364.154 CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O RVAQIUULWULRNW-UHFFFAOYSA-N 135564985 BRD-K00003733-001-01-9 ganoderic-acid-a 0 66.53 MedChemEx HY-N1447 Ganoderic acid A 516.309 [H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@H](C[C@H](O)[C@@]34C)[C@H](C)CC(=O)C[C@@H](C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C |t:5| DYOKDAQBNHPJFD-JNTBEZBXSA-N 471002 BRD-K64451768-001-05-4 GANT-58 0 96.49 Tocris 3889 GANT 58 392.11 c1cc(ccn1)-c1sc(c(c1-c1ccncc1)-c1ccncc1)-c1ccncc1 USWLOKMMUTWFMD-UHFFFAOYSA-N 253078 BRD-K64451768-001-03-9 GANT-58 0 Sigma G8923 GANT 58 392.11 c1cc(ccn1)-c1sc(c(c1-c1ccncc1)-c1ccncc1)-c1ccncc1 USWLOKMMUTWFMD-UHFFFAOYSA-N 253078 BRD-K09485525-001-03-9 GANT-61 0 89.02 Tocris 3191 GANT 61 429.289 CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 KVQOGDQTWWCZFX-UHFFFAOYSA-N 421610 BRD-K09485525-001-02-1 GANT-61 0 100 Tocris 3191 GANT 61 429.289 CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 KVQOGDQTWWCZFX-UHFFFAOYSA-N 421610 BRD-K77038618-356-01-3 garenoxacin 0 96.9 MedChemEx HY-17460A Garenoxacin (Mesylate hydrate) 426.139 C[C@H]1NCc2cc(ccc12)-c1ccc2c(c1OC(F)F)n(cc(C(O)=O)c2=O)C1CC1 NJDRXTDGYFKORP-LLVKDONJSA-N 40461170 BRD-K15447284-001-02-9 gastrodin 0 91.72 MedChemEx HY-N0115 Gastrodin 286.105 OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O PUQSUZTXKPLAPR-UJPOAAIJSA-N 115067 BRD-K01825698-213-01-9 gatifloxacin 0 77.22 MicroSource 1504272 GATIFLOXACIN 436.212 COc1c(N2CCN[C@@H](C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |&1:8| XUBOMFCQGDBHNK-JTQLQIEISA-N 6971135 BRD-K01825698-001-02-9 gatifloxacin 0 94.86 Tocris 3849 Gatifloxacin 375.159 COc1c(N2CCN[C@@H](C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |&1:8| XUBOMFCQGDBHNK-JTQLQIEISA-N 6971135 BRD-K81981783-236-02-9 gavestinel 0 92.51 Tocris 2348 "sodium 3-[(1E)-3-anilino-3-oxo-1-propenyl]-4,6-dichloro-1H-indole-2-carboxylate" 374.022 OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1 WZBNEZWCNKUOSM-VOTSOKGWSA-N 6450546 BRD-K81981783-236-03-7 gavestinel 0 91.89 Tocris 2348 Gavestinel 374.022 OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1 WZBNEZWCNKUOSM-VOTSOKGWSA-N 6450546 BRD-K81981783-236-01-1 gavestinel 0 73.61 Tocris 2348 Gavestinel 374.022 OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1 WZBNEZWCNKUOSM-VOTSOKGWSA-N 6450546 BRD-K92015269-300-02-9 GBR-12783 0 97.22 Tocris 513 GBR 12783 dihydrochloride 412.251 C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 XFBDGHFDKJITGC-JLHYYAGUSA-N 5788723 BRD-K92015269-300-01-2 GBR-12783 0 97.13 Tocris 513 GBR 12783 dihydrochloride 412.251 C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 XFBDGHFDKJITGC-JLHYYAGUSA-N 5788723 BRD-K50135270-300-09-9 GBR-12935 0 95.94 Tocris 514 GBR 12935 dihydrochloride 414.267 C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 RAQPOZGWANIDQT-UHFFFAOYSA-N 3456 BRD-K50135270-300-02-3 GBR-12935 0 97.4 Tocris 514 GBR 12935 dihydrochloride 414.267 C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 RAQPOZGWANIDQT-UHFFFAOYSA-N 3456 BRD-K92577649-300-01-2 GBR-13069 0 95.51 Tocris 420 GBR 13069 dihydrochloride 448.233 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 DASHZBBQOARCMQ-QPJJXVBHSA-N 5974189 BRD-K92577649-300-03-9 GBR-13069 0 93.76 Tocris 420 GBR 13069 dihydrochloride 448.233 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 DASHZBBQOARCMQ-QPJJXVBHSA-N 5974189 BRD-K43002773-001-05-9 GDC-0068 0 75.09 MedChemEx HY-15186 Ipatasertib 457.224 CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 GRZXWCHAXNAUHY-NSISKUIASA-N 24788740 BRD-K00003420-001-01-9 GDC-0077 0 87.83 MedChemEx HY-101562 GDC-0077 407.141 C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O SGEUNORSOZVTOL-CABZTGNLSA-N 124173720 BRD-K00003309-001-01-9 GDC-0084 0 94.21 MedChemEx HY-19962 GDC-0084 382.187 CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 LGWACEZVCMBSKW-UHFFFAOYSA-N 57384863 BRD-K68938568-001-01-7 GDC-0152 0 94.69 Selleck S7010 GDC-0152 498.241 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 WZRFLSDVFPIXOV-LRQRDZAKSA-N 46940575 BRD-K68938568-001-02-9 GDC-0152 0 97.08 MedChemEx HY-13638 GDC-0152 498.241 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 WZRFLSDVFPIXOV-LRQRDZAKSA-N 46940575 BRD-K43187018-001-02-5 GDC-0349 0 69.42 Selleck S8040 GDC-0349 452.254 CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 RGJOJUGRHPQXGF-INIZCTEOSA-N 59239165 BRD-K43187018-001-03-3 GDC-0349 0 89.78 Selleck S8040 GDC-0349 452.254 CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 RGJOJUGRHPQXGF-INIZCTEOSA-N 59239165 BRD-K43187018-001-04-9 GDC-0349 0 77.97 MedChemEx HY-15248 GDC-0349 452.254 CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 RGJOJUGRHPQXGF-INIZCTEOSA-N 59239165 BRD-K00003112-001-01-9 GDC-0575 0 93.2 MedChemEx HY-112167 GDC-0575 377.085 N[C@@H]1CCCN(C1)c1c(Br)cnc2[nH]cc(NC(=O)C3CC3)c12 BAZRWWGASYWYGB-SNVBAGLBSA-N 46917793 BRD-K46908090-001-03-0 GDC-0623 0 54.85 MedChemEx HY-15610 "5-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide" 456.009 OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F RFWVETIZUQEJEF-UHFFFAOYSA-N 42642654 BRD-K46908090-001-04-8 GDC-0623 0 92.75 MedChemEx HY-15610 GDC-0623 456.009 OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F RFWVETIZUQEJEF-UHFFFAOYSA-N 42642654 BRD-K46908090-001-02-2 GDC-0623 0 90.56 Selleck S7553 GDC-0623 456.009 OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F RFWVETIZUQEJEF-UHFFFAOYSA-N 42642654 BRD-K46908090-001-01-4 GDC-0623 0 71.66 MedChemEx HY-15610 GDC-0623 456.009 OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F RFWVETIZUQEJEF-UHFFFAOYSA-N 42642654 BRD-K61923022-001-02-4 GDC-0810 0 96.55 MedChemEx HY-12864 GDC-0810 446.12 CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2n[nH]cc2c1)c1ccc(F)cc1Cl BURHGPHDEVGCEZ-KJGLQBJMSA-N 56941241 BRD-A30984645-001-01-5 GDC-0834 0 89.57 MedChemEx HY-15427A GDC-0834 (Racemate) 596.257 "CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |&1:8,r|" CDOOFZZILLRUQH-LJAQVGFWSA-N 25234917 BRD-A30984645-001-02-3 GDC-0834 0 90.56 MedChemEx HY-15427A GDC-0834 (Racemate) 596.257 "CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |&1:8,r|" CDOOFZZILLRUQH-LJAQVGFWSA-N 25234917 BRD-A30984645-001-03-9 GDC-0834 0 81.1 MedChemEx HY-15427A GDC-0834 (Racemate) 596.257 "CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |&1:8,r|" CDOOFZZILLRUQH-LJAQVGFWSA-N 25234917 BRD-K67578145-001-10-5 GDC-0879 0 97.55 Tocris 4453 GDC 0879 334.143 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O DEZZLWQELQORIU-RELWKKBWSA-N 11717001 BRD-K67578145-001-09-7 GDC-0879 0 93.63 Selleck S1104 GDC-0879 334.143 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O DEZZLWQELQORIU-RELWKKBWSA-N 11717001 BRD-K67578145-001-12-1 GDC-0879 0 89.83 Selleck S1104 GDC-0879 334.143 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O DEZZLWQELQORIU-RELWKKBWSA-N 11717001 BRD-K14399170-001-01-7 BRD-K00003101-001-02-9 GDC-0927 0 90.96 MedChemEx HY-111484 GDC-0927 461.2 CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |t:1| KJAAPZIFCQQQKX-NDEPHWFRSA-N 87055263 BRD-K00003101-001-01-9 GDC-0927 0 92.6 MedChemEx HY-111484 GDC-0927 461.2 CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |t:1| KJAAPZIFCQQQKX-NDEPHWFRSA-N 87055263 BRD-K52911425-001-09-8 GDC-0941 0 95.23 Selleck S1065 GDC-0941 513.162 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3n[nH]cc23)CC1 LHNIIDJUOCFXAP-UHFFFAOYSA-N 17755052 BRD-K52911425-001-01-5 GDC-0941 0 Selleck S1065 GDC-0941 513.162 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3n[nH]cc23)CC1 "InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)" 17755052 BRD-K23228615-001-02-8 GDC-0980 0 87.14 Selleck S2696 GDC-0980 (RG7422) 498.216 C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 YOVVNQKCSKSHKT-HNNXBMFYSA-N 25254071 BRD-K23228615-001-04-9 GDC-0980 0 94.37 MedChemEx HY-13246 Apitolisib 498.216 C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 YOVVNQKCSKSHKT-HNNXBMFYSA-N 25254071 BRD-K23228615-001-03-6 GDC-0980 0 94.13 Selleck S2696 "Apitolisib (GDC-0980, RG7422)" 498.216 C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 YOVVNQKCSKSHKT-HNNXBMFYSA-N 25254071 BRD-A20830788-001-01-9 GDC-0994 0 98.7 Selleck S7554 GDC-0994 440.116 "Cn1nccc1Nc1nccc(n1)-c1ccn([C@@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |&1:17,r|" RZUOCXOYPYGSKL-SFHVURJKSA-N 124583908 BRD-K02703275-001-07-5 gedunin 0 95.65 Tocris 3387 Gedunin 482.23 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |c:12| YJXDGWUNRYLINJ-BHAPSIHVSA-N 12004512 BRD-K00004589-001-01-9 gefapixant 0 97.87 MedChemEx HY-101588 Gefapixant 353.116 COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O HLWURFKMDLAKOD-UHFFFAOYSA-N 24764487 BRD-K64052750-001-22-5 gefitinib 0 99.54 Selleck S1025 Gefitinib 446.152 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 XGALLCVXEZPNRQ-UHFFFAOYSA-N 123631 BRD-K64052750-001-17-5 gefitinib 0 99.36 Tocris 3000 Iressa 446.152 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 XGALLCVXEZPNRQ-UHFFFAOYSA-N 123631 BRD-K64052750-001-16-7 gefitinib 0 97.12 Selleck S1025 Gefitinib (ZD1839) 446.152 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 XGALLCVXEZPNRQ-UHFFFAOYSA-N 123631 BRD-K64052750-001-23-3 gefitinib 0 95.92 Tocris 3000 Iressa 446.152 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 XGALLCVXEZPNRQ-UHFFFAOYSA-N 123631 BRD-K43570081-001-02-4 geldanamycin 0 85.51 Selleck S2713 Geldanamycin 560.273 "CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C\[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,t:13,19,21,32|" QTQAWLPCGQOSGP-SLOAUYBXSA-N BRD-K43570081-001-04-0 geldanamycin 0 4.29 Selleck S2713 Geldanamycin 560.273 "CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C\[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,t:13,19,21,32|" QTQAWLPCGQOSGP-SLOAUYBXSA-N BRD-K82847623-001-01-5|BRD-A77524860-001-03-7 BRD-K43570081-001-05-9 geldanamycin 0 0 MedChemEx HY-15230 Geldanamycin 560.273 "CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C\[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,t:13,19,21,32|" QTQAWLPCGQOSGP-SLOAUYBXSA-N BRD-K43890836-001-01-6 gemcadiol 0 93.3 Sigma PH000291 "2,2,9,9-tetramethyl-1,10-decanediol" 230.225 CC(C)(CO)CCCCCCC(C)(C)CO DJKWDKJYFYUEBQ-UHFFFAOYSA-N 37147 BRD-K15108141-001-08-2 gemcitabine 0 100 MedChemEx HY-17026 gemcitabine 263.072 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 SDUQYLNIPVEERB-QPPQHZFASA-N 60750 BRD-K15108141-003-04-7 gemcitabine 0 63 Tocris 3259 Gemcitabine hydrochloride 263.072 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 SDUQYLNIPVEERB-QPPQHZFASA-N 60750 BRD-K67681739-003-01-4 BRD-K15108141-001-06-6 gemcitabine 0 100 Selleck S1714 Gemcitabine 263.072 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 SDUQYLNIPVEERB-QPPQHZFASA-N 60750 BRD-K15108141-003-05-4 gemcitabine 0 100 Selleck S1149 Gemcitabine HCl (Gemzar) 263.072 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 SDUQYLNIPVEERB-QPPQHZFASA-N 60750 BRD-K11238904-003-01-9 BRD-K09456915-001-01-2 gemcitabine-elaidate 0 94.93 MedChemEx HY-13538 Gemcitabine (elaidate) 527.317 CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O HESSNRGIEVBPRB-QDDPNBLJSA-N 9828310 BRD-K11129031-001-26-7 gemfibrozil 0 96.38 Selleck S1729 Gemfibrozil 250.157 Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 HEMJJKBWTPKOJG-UHFFFAOYSA-N 3463 BRD-K11129031-001-27-5 gemfibrozil 0 97.18 MicroSource 1500313 GEMFIBROZIL 250.157 Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 HEMJJKBWTPKOJG-UHFFFAOYSA-N 3463 BRD-A40787240-066-04-6 gemifloxacin 0 94.6 MicroSource 1505802 GEMIFLOXACIN MESYLATE 389.15 CO\N=C1/CN(C[C@@H]1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |&1:7| ZRCVYEYHRGVLOC-NOTZLVJDSA-N 42066947 BRD-K00003182-001-01-9 gemigliptin 0 23.21 MedChemEx HY-14892 Gemigliptin 489.141 N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F ZWPRRQZNBDYKLH-VIFPVBQESA-N 11953153 BRD-K28824103-001-03-6 genipin 0 96.16 MedChemEx HY-17389 Genipin 226.084 "COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO |c:13,t:4|" AZKVWQKMDGGDSV-BCMRRPTOSA-N 442424 BRD-K28824103-001-04-4 genipin 0 83.93 Selleck S2412 Genipin 226.084 "COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO |c:13,t:4|" AZKVWQKMDGGDSV-BCMRRPTOSA-N 442424 BRD-K70886785-001-01-1 BRD-K28824103-001-02-8 genipin 0 99.08 Selleck S2412 Genipin 226.084 "COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO |c:13,t:4|" AZKVWQKMDGGDSV-BCMRRPTOSA-N 442424 BRD-K57275767-001-04-9 geniposide 0 85.9 MedChemEx HY-N0009 Geniposide 388.137 "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO |c:25,t:4|" IBFYXTRXDNAPMM-BVTMAQQCSA-N 107848 BRD-K57275767-001-02-4 geniposide 0 97.9 Selleck S2411 Geniposide 388.137 "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO |c:25,t:4|" IBFYXTRXDNAPMM-BVTMAQQCSA-N 107848 BRD-K57275767-001-03-2 geniposide 0 88.06 Selleck S2411 Geniposide 388.137 "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO |c:25,t:4|" IBFYXTRXDNAPMM-BVTMAQQCSA-N 107848 BRD-K35205465-001-01-5 BRD-K73771095-001-03-3 geniposidic-acid 0 86.68 Selleck S2413 Geniposidic acid 374.121 "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:12|" ZJDOESGVOWAULF-OGJQONSISA-N 443354 BRD-K02342990-001-01-9 BRD-K73771095-001-04-9 geniposidic-acid 0 97.09 MedChemEx HY-N0010 Geniposidic acid 374.121 "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:12|" ZJDOESGVOWAULF-OGJQONSISA-N 443354 BRD-K73771095-001-02-5 geniposidic-acid 0 86.14 Selleck S2413 Geniposidic acid 374.121 "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(CO)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:12|" ZJDOESGVOWAULF-OGJQONSISA-N 443354 BRD-K43797669-001-28-8 genistein 0 97.25 Selleck S1342 Genistein 270.053 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N 5280961 BRD-K43797669-001-30-4 genistein 0 97.71 MicroSource 210296 GENISTEIN 270.053 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N 5280961 BRD-K43797669-001-29-6 genistein 0 97.38 Tocris 1110 Genistein 270.053 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N 5280961 BRD-K43797669-001-31-2 genistein 0 88.25 Tocris 1110 Genistein 270.053 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O TZBJGXHYKVUXJN-UHFFFAOYSA-N 5280961 BRD-K97891829-065-02-9 gentamycin 0 0 MedChemEx HY-A0276 Gentamicin (sulfate) 477.316 CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 CEAZRRDELHUEMR-CAMVTXANSA-N 72395 BRD-K33131085-001-07-2 gentiopicrin 0 97.46 Sigma SMB00416 "(5R,6S)-1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-glucopyranoside" 356.111 "OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O |c:14,t:8|" DUAGQYUORDTXOR-GPQRQXLASA-N 88708 BRD-K70693421-001-01-1 genz-123346 0 85.93 MedChemEx HY-12744 Genz-123346 (free base) 418.283 CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 JMNXWOFCUJJYEO-HYBUGGRVSA-N 23652732 BRD-K70693421-001-02-9 genz-123346 0 85.61 MedChemEx HY-12744 Genz-123346 (free base) 418.283 CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 JMNXWOFCUJJYEO-HYBUGGRVSA-N 23652732 BRD-K99475619-001-01-2 genz-644282 0 97.15 MedChemEx HY-16228 Genz-644282 407.148 CNCCn1c2c3cc4OCOc4cc3ncc2c2cc(OC)c(OC)cc2c1=O BAORCAMWLWRZQG-UHFFFAOYSA-N 10294813 BRD-K99475619-001-03-9 genz-644282 0 81.42 MedChemEx HY-16228 Genz-644282 407.148 CNCCn1c2c3cc4OCOc4cc3ncc2c2cc(OC)c(OC)cc2c1=O BAORCAMWLWRZQG-UHFFFAOYSA-N 10294813 BRD-A04447196-001-01-8 gepefrine 0 84.77 Sigma MFCD00047912 3-(2-aminopropyl)phenol 151.1 "C[C@@H](N)Cc1cccc(O)c1 |&1:1,r|" WTDGMHYYGNJEKQ-SSDOTTSWSA-N 10057685 BRD-A56754222-001-01-2 gepon 0 99.2 InterBioScreen STOCK1N-32610 1816.976 "CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(O)=O |a:3,11,20,51,69,80,100,118,&1:7,&2:31,&3:42,&4:60,&5:71,&6:74,&7:89,&8:109|" HTQONPPEZULJKY-MUPFFGQUSA-N BRD-K33499285-001-02-9 gepotidacin 0 94.47 MedChemEx HY-16742 Gepotidacin 448.222 O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 PZFAZQUREQIODZ-LJQANCHMSA-N 25101874 BRD-K02780233-001-02-5 geranyl-farnesylacetate 0 0 Adooq A13666 "(2E)-3,7-dimethyl-2,6-octadienyl (4E,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate" 400.334 CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C ZPACYDRSPFRDHO-ROBAGEODSA-N 5282182 BRD-K02780233-001-01-7 geranyl-farnesylacetate 0 49.56 AKSci R260 400.334 CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C ZPACYDRSPFRDHO-ROBAGEODSA-N 5282182 BRD-K97197005-001-04-9 gestodene 0 94.36 MedChemEx HY-B0110 Gestodene 310.193 "CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C |c:20,t:9|" SIGSPDASOTUPFS-XUDSTZEESA-N 3033968 BRD-K97197005-001-03-2 gestodene 0 95.03 Selleck S1376 Gestodene 310.193 "CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C |c:20,t:9|" SIGSPDASOTUPFS-XUDSTZEESA-N 3033968 BRD-K81077266-001-01-2 BRD-K97472745-001-03-9 gestrinone 0 94.9 MedChemEx HY-101405 Gestrinone 308.178 "CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C |c:3,5,11|" BJJXHLWLUDYTGC-ANULTFPQSA-N 27812 BRD-K97472745-001-01-8 gestrinone 0 95.29 Prestwick Prestw-1267 Gestrinone 308.178 "CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C |c:3,5,11|" BJJXHLWLUDYTGC-ANULTFPQSA-N 27812 BRD-K31342827-001-13-8 GF109203X 0 73.04 Tocris 741 GF 109203X 412.19 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| QMGUOJYZJKLOLH-UHFFFAOYSA-N 2396 BRD-K31342827-001-15-3 GF109203X 0 88.34 Tocris 741 GF 109203X 412.19 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| QMGUOJYZJKLOLH-UHFFFAOYSA-N 2396 BRD-K31342827-001-06-2 GF109203X 0 Tocris 741 GF 109203X 412.19 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| "InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)" 2396 BRD-A25625670-001-01-9 GGsTop 0 15.75 Tocris 4452 GGsTop 331.082 "COP(=O)(CC[C@@H](N)C(O)=O)Oc1cccc(CC(O)=O)c1 |&1:2,&2:6,r|" NTFPDEDRMYYPAC-FAYKFVSFSA-N 139340107 BRD-A25625670-001-02-7 GGsTop 0 82.42 Tocris 4452 GGsTop 331.082 "COP(=O)(CC[C@@H](N)C(O)=O)Oc1cccc(CC(O)=O)c1 |&1:2,&2:6,r|" NTFPDEDRMYYPAC-FAYKFVSFSA-N 139340107 BRD-K19669037-001-02-9 GGTI-298 0 51.61 MedChemEx HY-100876 GGTI298 479.224 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12 XVWPFYDMUFBHBF-CLOONOSVSA-N 9811606 BRD-K19669037-001-01-1 GGTI-298 0 38.97 EMDBio 345883-250UG GGTI-298 479.224 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12 XVWPFYDMUFBHBF-CLOONOSVSA-N 9811606 BRD-K72280606-001-01-2 gilteritinib 0 90.94 MedChemEx HY-12432 Gilteritinib 552.354 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 GYQYAJJFPNQOOW-UHFFFAOYSA-N 49803313 BRD-K35687421-001-02-5 gimeracil 0 87.44 Selleck S2055 Gimeracil 144.993 Oc1cc(=O)[nH]cc1Cl ZPLQIPFOCGIIHV-UHFFFAOYSA-N 54679224 BRD-K35687421-001-03-3 gimeracil 0 98.28 Selleck S2055 Gimeracil 144.993 Oc1cc(=O)[nH]cc1Cl ZPLQIPFOCGIIHV-UHFFFAOYSA-N 54679224 BRD-K42679315-001-08-9 ginkgolide-A 0 99.2 MedChemEx HY-B0355 Ginkgolide A 408.142 C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O FPUXKXIZEIDQKW-UEHATNFXSA-N BRD-K93816012-001-09-9 ginkgolide-B 0 15.01 Tocris 1657 Ginkgolide B 424.137 C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O SQOJOAFXDQDRGF-AIQFLADASA-N BRD-K93816012-001-10-9 ginkgolide-B 0 100 Tocris 1657 Ginkgolide B 424.137 C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O SQOJOAFXDQDRGF-AIQFLADASA-N BRD-K93816012-001-07-3 ginkgolide-B 0 100 Selleck S1343 Ginkgolide B 424.137 C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O SQOJOAFXDQDRGF-AIQFLADASA-N BRD-A82395837-001-01-9 BRD-K93816012-001-08-1 ginkgolide-B 0 100 Tocris 1657 Ginkgolide B 424.137 C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O SQOJOAFXDQDRGF-AIQFLADASA-N BRD-K01942833-001-01-8 ginsenoside-C-K 0 99.5 MedChemEx HY-N0904 Ginsenoside C-K 622.444 CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C FVIZARNDLVOMSU-IRFFNABBSA-N 9852086 BRD-A84810646-001-01-6 ginsenoside-RD 0 100 MedChemEx HY-N0043 Ginsenoside Rd 946.55 "CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C |a:9,11,14,16,18,20,23,25,26,29,30,34,36,38,41,43,45,47,49,52,54,56,61,64,&1:6|" RLDVZILFNVRJTL-ZMHPOSLNSA-N BRD-K00003326-001-01-9 ginsenoside-RE 0 100 MedChemEx HY-N0044 Ginsenoside Re 946.55 [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O PWAOOJDMFUQOKB-WCZZMFLVSA-N 441921 BRD-A44511856-001-01-4 ginsenoside-RE3 0 99.4 MedChemEx HY-N0603 Ginsenoside Rg3 784.497 "CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C |a:9,12,14,15,18,19,23,25,27,30,32,34,36,38,41,43,45,50,53,&1:6|" RWXIFXNRCLMQCD-CZIWJLDFSA-N 46887680 BRD-K13810148-311-03-2 givinostat 0 94.01 Selleck S2170 Givinostat (ITF2357) 421.2 CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 YALNUENQHAQXEA-UHFFFAOYSA-N 9804992 BRD-K13810148-001-02-1 givinostat 0 Stanley BRD-10-79 421.2 CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 "InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)" 9804992 BRD-K38272302-001-02-7 GK921 0 94.48 MedChemEx HY-12337 GK921 344.164 C(CN1CCCC1)Oc1nc2cccnc2nc1C#Cc1ccccc1 MNYJJHBAEYKXEG-UHFFFAOYSA-N 56682080 BRD-K38272302-001-01-9 GK921 0 77.27 MedChemEx HY-12337 GK921 344.164 C(CN1CCCC1)Oc1nc2cccnc2nc1C#Cc1ccccc1 MNYJJHBAEYKXEG-UHFFFAOYSA-N 56682080 BRD-K03827870-001-02-9 GKA-50 0 95.95 Tocris 5133 GKA 50 464.195 COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O OCBMECSFDVUYQN-ROUUACIJSA-N 11340230 BRD-K03827870-001-01-3 GKA-50 0 93.93 Tocris 5133 GKA 50 464.195 COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O OCBMECSFDVUYQN-ROUUACIJSA-N 11340230 BRD-K79710622-001-03-7 GKT137831 0 90 MedChemEx HY-12298 GKT137831 394.12 CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 RGYQPQARIQKJKH-UHFFFAOYSA-N 58496428 BRD-K79710622-001-02-9 GKT137831 0 84.05 Selleck S7171 GKT137831 394.12 CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 RGYQPQARIQKJKH-UHFFFAOYSA-N 58496428 BRD-K79710622-001-01-1 GKT137831 0 64.59 MedChemEx HY-12298 GKT137831 394.12 CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 RGYQPQARIQKJKH-UHFFFAOYSA-N 58496428 BRD-K01826515-003-11-9 glafenine 0 92.08 MedChemEx HY-B1153A Glafenine (hydrochloride) 372.088 OC[C@@H](O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 |&1:2| GWOFUCIGLDBNKM-CYBMUJFWSA-N 969495 BRD-K01826515-003-10-9 glafenine 0 98.69 Selleck S4362 Glafenine HCl 408.064 OC[C@@H](O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 |&1:2| GWOFUCIGLDBNKM-CYBMUJFWSA-N 969495 BRD-K34341643-001-01-4 glasdegib 0 90.62 MedChemEx HY-16391 PF-04449913 374.186 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N SFNSLLSYNZWZQG-VQIMIIECSA-N 25166913 BRD-K34341643-001-02-9 glasdegib 0 96 MedChemEx HY-16391 Glasdegib 374.186 CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N SFNSLLSYNZWZQG-VQIMIIECSA-N 25166913 BRD-K00003260-001-01-9 glecaprevir 0 96.9 MedChemEx HY-17634 Glecaprevir 838.298 [H]\C1=C([H])/C(F)(F)c2nc3ccccc3nc2O[C@@]2([H])CN(C(=O)[C@@]([H])(NC(=O)O[C@]3([H])CCC[C@@]3([H])OC1)C(C)(C)C)[C@@]([H])(C2)C(=O)N[C@@]1(C[C@@]1([H])C(F)F)C(=O)NS(=O)(=O)C1(C)CC1 |t:1| MLSQGNCUYAMAHD-ITNVBOSISA-N 66828839 BRD-K00003288-003-01-9 glesatinib 0 76.83 MedChemEx HY-19642A Glesatinib (hydrochloride) 619.152 COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3F)c2s1 YRCHYHRCBXNYNU-UHFFFAOYSA-N 25181472 BRD-A61154809-001-15-9 gliclazide 0 88.04 MicroSource 1504145 GLICLAZIDE 323.13 "Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@@H]2C1 |&1:16,&2:20,r|" BOVGTQGAOIONJV-CHWSQXEVSA-N 931837 BRD-A61154809-001-16-7 gliclazide 0 85.79 Selleck S2601 Gliclazide (Diamicron) 323.13 "Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@@H]2C1 |&1:16,&2:20,r|" BOVGTQGAOIONJV-CHWSQXEVSA-N 931837 BRD-A61154809-001-18-9 gliclazide 0 87.94 MedChemEx HY-B0753 Gliclazide 323.13 "Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@@H]2C1 |&1:16,&2:20,r|" BOVGTQGAOIONJV-CHWSQXEVSA-N 931837 BRD-A61154809-001-14-2 gliclazide 0 58.75 Selleck S2601 Gliclazide 323.13 "Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@@H]2C1 |&1:16,&2:20,r|" BOVGTQGAOIONJV-CHWSQXEVSA-N 931837 BRD-K34776109-001-16-6 glimepiride 0 96.93 MicroSource 1504915 GLIMEPIRIDE 490.225 "CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |r,c:2|" WIGIZIANZCJQQY-RUCARUNLSA-N BRD-K34776109-001-15-8 glimepiride 0 96.42 Tocris 2396 Glimepiride 490.225 "CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |r,c:2|" WIGIZIANZCJQQY-RUCARUNLSA-N BRD-K34776109-001-19-9 glimepiride 0 95.45 Tocris 2396 Glimepiride 490.225 "CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |r,c:2|" WIGIZIANZCJQQY-RUCARUNLSA-N BRD-K34776109-001-14-1 glimepiride 0 94.39 Selleck S1344 Glimepiride 490.225 "CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |r,c:2|" WIGIZIANZCJQQY-RUCARUNLSA-N BRD-K12219985-001-28-9 glipizide 0 93.75 MedChemEx HY-B0254 Glipizide 445.178 Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZJJXGWJIGJFDTL-UHFFFAOYSA-N 3478 BRD-K12219985-001-26-1 glipizide 0 98.53 MicroSource 1505433 GLIPIZIDE 445.178 Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZJJXGWJIGJFDTL-UHFFFAOYSA-N 3478 BRD-K12219985-001-25-3 glipizide 0 94.35 Selleck S1715 Glipizide 445.178 Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZJJXGWJIGJFDTL-UHFFFAOYSA-N 3478 BRD-K80396088-001-13-9 gliquidone 0 98.3 MedChemEx HY-B1114 Gliquidone 527.209 COc1ccc2c(c1)C(=O)N(CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)C(=O)C2(C)C LLJFMFZYVVLQKT-UHFFFAOYSA-N 91610 BRD-K80396088-001-12-0 gliquidone 0 94.47 Selleck S3151 Gliquidone 527.209 COc1ccc2c(c1)C(=O)N(CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)C(=O)C2(C)C LLJFMFZYVVLQKT-UHFFFAOYSA-N 91610 BRD-K00004731-001-01-9 Gln-1062 0 97.73 MedChemEx HY-101710 GLN-1062 391.178 COc1ccc2CN(C)CC[C@@]34C=C[C@@H](C[C@@H]3Oc1c24)OC(=O)c1ccccc1 |c:12| JKVNJTYHRABHIY-WXVUKLJWSA-N 44240142 BRD-K00003380-001-01-9 GLPG0187 0 100 MedChemEx HY-100506 GLPG0187 595.258 COc1ccc(cc1)S(=O)(=O)N[C@@H](CNc1nc(C)nc(N2CCC(CC2)c2ccc3CCCNc3n2)c1C)C(O)=O CXHCNOMGODVIKB-VWLOTQADSA-N 53340771 BRD-K15893360-001-01-8 GLPG0492 0 95.84 MedChemEx HY-18102 GLPG0492 389.099 CN1C(=O)N(C(=O)[C@@]1(CO)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F VAJGULUVTFDTAS-GOSISDBHSA-N 59317190 BRD-K04643927-001-01-6 GLPG0492-R-enantiomer 0 90.37 MedChemEx HY-18102A GLPG0492 (R enantiomer) 389.099 CN1C(=O)N(C(=O)[C@]1(CO)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F VAJGULUVTFDTAS-SFHVURJKSA-N 59317173 BRD-K00003095-001-01-9 GLPG1837 0 95.97 MedChemEx HY-111099 GLPG1837 348.126 CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1 GHTGYZMBQPXTCQ-UHFFFAOYSA-N 117857370 BRD-K60150658-432-01-5 glucaric-acid 0 0 Sigma MFCD00150704 "calcium (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate tetrahydrate" 210.038 O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O DSLZVSRJTYRBFB-LLEIAEIESA-N 33037 BRD-K04288422-001-04-4 gluconolactone 0 0 MicroSource 1503092 GLUCONOLACTONE 178.048 OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O PHOQVHQSTUBQQK-KLVWXMOXSA-N 1549082 BRD-K29918010-003-04-1 glucosamine 0 100 MicroSource 1500316 GLUCOSAMINE HYDROCHLORIDE 179.079 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MSWZFWKMSRAUBD-QZABAPFNSA-N 441477 BRD-K29918010-003-05-9 glucosamine 0 100 MedChemEx HY-N0733 Glucosamine (hydrochloride) 179.079 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MSWZFWKMSRAUBD-QZABAPFNSA-N 441477 BRD-K69346723-001-04-8 glutathione 1 0 MicroSource 1502248 GLUTATHIONE 307.084 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O RWSXRVCMGQZWBV-WDSKDSINSA-N 25246407 BRD-K58937086-001-02-2 glutathione-monoisopropyl-ester 0 0 Sigma MFCD00237073 (2S)-2-amino-5-{[(1R)-2-[(2-isopropoxy-2-oxoethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino}-5-oxopentanoic acid 349.131 CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O MVNCPACIPXNJIW-IUCAKERBSA-N 40466869 BRD-K58937086-001-01-4 glutathione-monoisopropyl-ester 0 79.96 ChemImpex 8169 349.131 CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O MVNCPACIPXNJIW-IUCAKERBSA-N 40466869 BRD-K85066592-001-01-6 gly-gln 0 100 Ark AK-44843 203.091 NCC(=O)N[C@@H](CCC(N)=O)C(O)=O PNMUAGGSDZXTHX-BYPYZUCNSA-N 7018836 BRD-K36927236-001-36-7 glyburide 0 95.33 Tocris 911 Glibenclamide 493.144 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZNNLBTZKUZBEKO-UHFFFAOYSA-N 3488 BRD-K36927236-001-30-0 glyburide 0 94.51 Selleck S1716 Glyburide 493.144 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZNNLBTZKUZBEKO-UHFFFAOYSA-N 3488 BRD-K36927236-001-32-6 glyburide 0 97.94 MicroSource 2300229 GLYBURIDE 493.144 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZNNLBTZKUZBEKO-UHFFFAOYSA-N 3488 BRD-K36927236-001-31-8 glyburide 0 96.81 Tocris 911 Glibenclamide 493.144 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 ZNNLBTZKUZBEKO-UHFFFAOYSA-N 3488 BRD-A10773072-001-03-4 glycerol-monolaurate 0 98.1 Sigma MFCD00037815 "2,3-dihydroxypropyl laurate" 274.214 "CCCCCCCCCCCC(=O)OC[C@@H](O)CO |&1:15,r|" ARIWANIATODDMH-AWEZNQCLSA-N 656773 BRD-K00003520-001-01-9 glycerol-phenylbutyrate 0 88.43 MedChemEx HY-B2087 Glycerol phenylbutyrate 530.267 O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1 ZSDBFLMJVAGKOU-UHFFFAOYSA-N 10482134 BRD-K78303961-001-02-3 glycitein 0 97.95 Cayman 14162 284.068 COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O DXYUAIFZCFRPTH-UHFFFAOYSA-N 5317750 BRD-A81233518-004-16-1 glycopyrrolate 0 98.36 MicroSource 1505753 GLYCOPYRROLATE 318.207 "C[N+]1(C)CC[C@@H](C1)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |&1:5,&2:10|" ANGKOCUUWGHLCE-HKUYNNGSSA-N 9933193 BRD-A81233518-004-17-9 glycopyrrolate 0 100 MedChemEx HY-17465 Glycopyrrolate 318.207 "C[N+]1(C)CC[C@@H](C1)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |&1:5,&2:10|" ANGKOCUUWGHLCE-HKUYNNGSSA-N 9933193 BRD-K00004613-001-01-9 GM-1485 0 67.58 Key EG-0058 "(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-pyrrolidinecarboxylic acid" 241.131 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O FOPALECPEUVCTL-QMMMGPOBSA-N 9837656 BRD-K69832040-001-01-9 GMX1778 0 97.04 MedChemEx HY-10079 GMX1778 371.151 Clc1ccc(OCCCCCCN\C(NC#N)=N\c2ccncc2)cc1 BOIPLTNGIAPDBY-UHFFFAOYSA-N 148198 BRD-K33963447-001-03-9 GNE-7915 0 97.87 Adooq A13748 "GNE7915, GMS 7915" 443.158 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F XCFLWTZSJYBCPF-UHFFFAOYSA-N 58539171 BRD-K97056771-001-15-9 GNF-2 0 96.9 Tocris 4399 GNF 2 374.099 NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 WEVYNIUIFUYDGI-UHFFFAOYSA-N 5311510 BRD-K97056771-001-14-9 GNF-2 0 96.55 Tocris 4399 GNF 2 374.099 NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 WEVYNIUIFUYDGI-UHFFFAOYSA-N 5311510 BRD-K97056771-001-13-1 GNF-2 0 95.91 Selleck S2899 GNF-2 374.099 NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 WEVYNIUIFUYDGI-UHFFFAOYSA-N 5311510 BRD-K87632963-001-05-9 GNF-5 0 98.82 Tocris 4908 GNF 5 418.125 OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 IIQUYGWWHIHOCF-UHFFFAOYSA-N 44129660 BRD-K87632963-001-03-0 GNF-5 0 99.44 Tocris 4908 GNF 5 418.125 OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 IIQUYGWWHIHOCF-UHFFFAOYSA-N 44129660 BRD-K19975102-001-01-2 GNF-5837 0 75.24 Tocris 4559 GNF 5837 535.163 Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1 YYDUWLSETXNJJT-MTJSOVHGSA-N 59397065 BRD-K19975102-001-02-0 GNF-5837 0 70.42 MedChemEx HY-13491/CS-1728 GNF-5837 535.163 Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1 "InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-" 59397065 BRD-K69075588-001-01-3 GNF-7 0 90.81 Tocris 5607 GNF 7 547.194 CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C SZNYUUZOQHNEKB-UHFFFAOYSA-N 11478363 BRD-K69075588-001-02-9 GNF-7 0 94.3 Tocris 5607 GNF 7 547.194 CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C SZNYUUZOQHNEKB-UHFFFAOYSA-N 11478363 BRD-K64748124-300-06-9 GNTI 0 91.42 Tocris 1282 GNTI dihydrochloride 471.227 NC(=N)Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O VLNHDKDBGWXJEE-GYHUNEDQSA-N 9826034 BRD-K64748124-300-01-7 GNTI 0 0 Tocris 1282 GNTI dihydrochloride 471.227 NC(=N)Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O VLNHDKDBGWXJEE-GYHUNEDQSA-N 9826034 BRD-A80271098-300-01-4 BRD-K36984403-001-02-7 go-6983 0 80.23 Selleck S2911 Go 6983 442.2 COc1ccc2n(CCCN(C)C)cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:15| LLJJDLHGZUOMQP-UHFFFAOYSA-N 3499 BRD-K36984403-001-03-5 go-6983 0 93.45 Selleck S2911 Go 6983 442.2 COc1ccc2n(CCCN(C)C)cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:15| LLJJDLHGZUOMQP-UHFFFAOYSA-N 3499 BRD-A57886255-001-01-1 golgicide-A 0 96.27 Tocris 3584 Golgicide A 284.113 "Fc1cc(F)c2N[C@@H]([C@@H]3CC=C[C@@H]3c2c1)c1cccnc1 |a:8,12,&1:7,c:10|" NJZHEQOUHLZCOX-WOSRLPQWSA-N 1085377 BRD-A57886255-001-02-9 golgicide-A 0 97.26 Selleck S7266 Golgicide A 284.113 "Fc1cc(F)c2N[C@@H]([C@@H]3CC=C[C@@H]3c2c1)c1cccnc1 |a:8,12,&1:7,c:10|" NJZHEQOUHLZCOX-WOSRLPQWSA-N 1085377 BRD-A53244165-001-01-6 BRD-A57886255-001-03-9 golgicide-A 0 96.29 Tocris 3584 Golgicide A 284.113 "Fc1cc(F)c2N[C@@H]([C@@H]3CC=C[C@@H]3c2c1)c1cccnc1 |a:8,12,&1:7,c:10|" NJZHEQOUHLZCOX-WOSRLPQWSA-N 1085377 BRD-K69001009-001-03-9 golvatinib 0 93.46 MedChemEx HY-13068 Golvatinib 633.288 CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1 UQRCJCNVNUFYDX-UHFFFAOYSA-N 16118392 BRD-K69001009-001-02-8 golvatinib 0 97.57 Selleck S2859 Golvatinib (E7050) 633.288 CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1 UQRCJCNVNUFYDX-UHFFFAOYSA-N 16118392 BRD-K96874295-015-01-0 gonadorelin 0 95.93 MedChemEx HY-12555 Gonadorelin (acetate) 1181.573 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O XLXSAKCOAKORKW-AQJXLSMYSA-N 638793 BRD-K99504665-001-01-2 goserelin-acetate 0 97.19 Enzo DL282 Goserelin acetate 1268.641 CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O BLCLNMBMMGCOAS-URPVMXJPSA-N 5311128 BRD-K99504665-015-02-9 goserelin-acetate 0 96.33 MedChemEx HY-13673A Goserelin (acetate) 1268.641 CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O BLCLNMBMMGCOAS-URPVMXJPSA-N 5311128 BRD-K19295594-001-17-6 gossypol 0 83.11 Tocris 3367 AT 101 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K19295594-015-13-5 gossypol 0 80.96 Selleck S2812 AT101 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K19295594-001-16-8 gossypol 0 48.77 Tocris 3367 AT 101 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K19295594-001-15-0 gossypol 0 57.51 Selleck S2303 Gossypol 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K19295594-015-14-3 gossypol 0 96.16 Selleck S2303 Gossypol Acetate 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K19295594-015-12-7 gossypol 0 66.13 Selleck S2812 AT101 518.194 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O QBKSWRVVCFFDOT-UHFFFAOYSA-N 3503 BRD-K65285700-001-02-3 GP1a 0 98 Tocris 2764 GP 1a 440.117 Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 FNOMTMVRTBHRET-UHFFFAOYSA-N 10252734 BRD-K65285700-001-03-1 GP1a 0 95.64 SantaCruz sc-203980 GP 1a 440.117 Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 FNOMTMVRTBHRET-UHFFFAOYSA-N 10252734 BRD-K34608650-001-02-4 GP2a 0 98.53 Tocris 2678 GP 2a 439.122 Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1 SPEFJYZGXZENAF-UHFFFAOYSA-N 16094766 BRD-K34608650-001-03-9 GP2a 0 98.57 Tocris 2678 GP 2a 439.122 Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1 SPEFJYZGXZENAF-UHFFFAOYSA-N 16094766 BRD-K67397687-001-02-9 GPBAR-A 0 98.67 Tocris 4478 GPBAR-A 484.102 Fc1ccccc1-c1ccnc2OCC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc12 ZIXNJVGTAXRKAP-UHFFFAOYSA-N 11656002 BRD-K67397687-001-01-3 GPBAR-A 0 96.41 Tocris 4478 GPBAR-A 484.102 Fc1ccccc1-c1ccnc2OCC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc12 ZIXNJVGTAXRKAP-UHFFFAOYSA-N 11656002 BRD-K44869961-001-01-6 GPI-1046 0 97.78 Key ES-0040 "(S)-3-(pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate" 360.205 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 OQAHHWOPVDDWHD-INIZCTEOSA-N 445501 BRD-A90201073-001-01-2 GPi-688 0 93.41 Tocris 3967 GPi 688 419.071 "OC[C@H](O)CN1C(=O)[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |a:2,&1:8|" UICNBXVDHCBKCE-TZMCWYRMSA-N 24901657 BRD-A90201073-001-02-9 GPi-688 0 96.63 Tocris 3967 GPi 688 419.071 "OC[C@H](O)CN1C(=O)[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |a:2,&1:8|" UICNBXVDHCBKCE-TZMCWYRMSA-N 24901657 BRD-K83289131-003-04-9 GPP-78 0 96.86 Tocris 4835 GPP 78 hydrochloride 439.237 O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 SJOLTIOPWDLDEB-UHFFFAOYSA-N 44819697 BRD-K83289131-003-01-0 GPP-78 0 98.04 Tocris 4835 GPP 78 hydrochloride 439.237 O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 SJOLTIOPWDLDEB-UHFFFAOYSA-N 44819697 BRD-K19409553-001-01-6 GPR120-modulator-1 0 96.16 MedChemEx HY-50162 GPR120 modulator 1 389.049 Cc1cc(OCc2nc(cs2)-c2ccccc2Cl)ccc1OCC(O)=O FONSSTYHKIFEBM-UHFFFAOYSA-N 25017320 BRD-K50891186-001-04-4 GR-103691 0 85.45 Tocris 1109 GR 103691 485.268 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1 JARNORYOPMINDY-UHFFFAOYSA-N 4302960 BRD-K49945136-001-11-9 GR-113808 0 96.58 Tocris 1322 GR 113808 393.172 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 MOZPSIXKYJUTKI-UHFFFAOYSA-N 119376 BRD-K49945136-001-10-0 GR-113808 0 94.87 Tocris 1322 GR 113808 393.172 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 MOZPSIXKYJUTKI-UHFFFAOYSA-N 119376 BRD-K11911061-003-12-9 GR-127935 0 96.65 Tocris 1477 GR 127935 hydrochloride 497.243 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 YDBCEBYHYKAFRX-UHFFFAOYSA-N 107780 BRD-K11911061-003-11-9 GR-127935 0 97.68 Tocris 1477 GR 127935 hydrochloride 497.243 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 YDBCEBYHYKAFRX-UHFFFAOYSA-N 107780 BRD-K83023055-001-03-9 GR-135531 0 90.31 Tocris 896 GR 135531 275.127 COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 MPZVHKLZCUEJFO-UHFFFAOYSA-N 4284525 BRD-K83023055-001-02-7 GR-135531 0 90.72 Tocris 896 GR 135531 275.127 COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 MPZVHKLZCUEJFO-UHFFFAOYSA-N 4284525 BRD-K12120659-305-03-9 GR-144053 0 91.99 Tocris 1263 GR 144053 trihydrochloride 345.216 NC(=N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(O)=O)CC1 QGEGSJUSWLLZLH-UHFFFAOYSA-N 173614 BRD-K12120659-305-02-2 GR-144053 0 94.59 Tocris 1263 GR 144053 trihydrochloride 345.216 NC(=N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(O)=O)CC1 QGEGSJUSWLLZLH-UHFFFAOYSA-N 173614 BRD-K52394958-001-03-5 GR-159897 0 92.73 Tocris 1274 GR 159897 414.178 COC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 BANYJBHWTOJQDU-GDLZYMKVSA-N 9953599 BRD-K52394958-001-04-9 GR-159897 0 95.15 Tocris 1274 GR 159897 414.178 COC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 BANYJBHWTOJQDU-GDLZYMKVSA-N 9953599 BRD-K52394958-001-02-7 GR-159897 0 93.42 Tocris 1274 GR 159897 414.178 COC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 BANYJBHWTOJQDU-GDLZYMKVSA-N 9953599 BRD-K00004242-001-01-9 GR-235 0 51.94 Tocris 2013 Guggulsterone 312.209 [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20| WDXRGPWQVHZTQJ-NRJJLHBYSA-N 146898 BRD-K40578143-001-03-9 GR-79236 0 95.65 Tocris 1957 GR 79236 351.154 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12 GYWXTRVEUURNEW-TVDBPQCTSA-N 9884817 BRD-K40578143-001-02-6 GR-79236 0 98.53 Tocris 1957 GR 79236 351.154 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12 GYWXTRVEUURNEW-TVDBPQCTSA-N 9884817 BRD-K62594868-082-09-9 GR125487 0 90.05 Tocris 1658 GR 125487 sulfamate 427.158 COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1 SSPCCAYAIDNNJX-UHFFFAOYSA-N 4284721 BRD-K62594868-082-08-6 GR125487 0 98.3 Tocris 1658 GR 125487 sulfamate 427.158 COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1 SSPCCAYAIDNNJX-UHFFFAOYSA-N 4284721 BRD-K98155362-001-08-5 GR46611 0 89.81 Tocris 864 GR 46611 377.21 COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 LBVZWEWTNUDWNS-YRNVUSSQSA-N 6160690 BRD-K98155362-001-09-9 GR46611 0 93.65 Tocris 864 GR 46611 377.21 COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 LBVZWEWTNUDWNS-YRNVUSSQSA-N 6160690 BRD-K98155362-001-07-7 GR46611 0 91.27 Tocris 864 GR 46611 377.21 COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 LBVZWEWTNUDWNS-YRNVUSSQSA-N 6160690 BRD-K45170529-001-01-3 gramicidin 0 50.33 Enzo ALX-350-233-M005 Gramicidin A 1881.071 CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO ZWCXYZRRTRDGQE-LUPIJMBPSA-N 45479317 BRD-K26005076-001-12-8 gramine 0 90.98 Selleck S2304 Gramine 174.116 CN(C)Cc1c[nH]c2ccccc12 OCDGBSUVYYVKQZ-UHFFFAOYSA-N 6890 BRD-A10967948-003-06-3 granisetron 0 97.08 MicroSource 1502365 GRANISETRON HYDROCHLORIDE 312.195 "CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12 |&1:2,&2:6,&3:8|" MFWNKCLOYSRHCJ-BTTYYORXSA-N BRD-A10967948-003-05-5 granisetron 0 90.76 Selleck S1345 Granisetron HCl 312.195 "CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12 |&1:2,&2:6,&3:8|" MFWNKCLOYSRHCJ-BTTYYORXSA-N BRD-K62050508-001-01-0 grapiprant 0 96.45 MedChemEx HY-16781 Grapiprant 491.199 CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 HZVLFTCYCLXTGV-UHFFFAOYSA-N 11677589 BRD-K24943235-237-01-3 grazoprevir 0 97.13 MedChemEx HY-15298A MK-5172 (potassium salt) 766.336 COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C OBMNJSNZOWALQB-NCQNOWPTSA-N 44603531 BRD-K24943235-001-01-3 grazoprevir 0 98.97 MedChemEx HY-15298 MK-5172 766.336 COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C OBMNJSNZOWALQB-NCQNOWPTSA-N 44603531 BRD-K24943235-001-02-9 grazoprevir 0 98.1 MedChemEx HY-15298 Grazoprevir 766.336 COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C OBMNJSNZOWALQB-NCQNOWPTSA-N 44603531 BRD-K08273968-001-16-6 griseofulvin 0 92.38 MicroSource 200046 GRISEOFULVIN 352.071 COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl |t:2| DDUHZTYCFQRHIY-RBHXEPJQSA-N 441140 BRD-K08273968-001-19-0 griseofulvin 0 95.44 Selleck S4071 Griseofulvin 352.071 COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl |t:2| DDUHZTYCFQRHIY-RBHXEPJQSA-N 441140 BRD-K12423485-001-01-7 BRD-K99916169-001-01-9 GS-143 0 67.28 Tocris 5636 GS 143 466.133 OC(=O)c1ccc(cc1)N1N=C(Cc2ccccc2)\C(=C/c2ccc(o2)-c2ccccc2F)C1=O |t:11| IZPMWFSVTDOCDI-HAVVHWLPSA-N 121513876 BRD-K99916169-001-02-9 GS-143 0 23.31 Tocris 5636 GS 143 466.133 OC(=O)c1ccc(cc1)N1N=C(Cc2ccccc2)\C(=C/c2ccc(o2)-c2ccccc2F)C1=O |t:11| IZPMWFSVTDOCDI-HAVVHWLPSA-N 121513876 BRD-K75478907-001-03-9 GS-39783 0 94.88 Tocris 2001 GS 39783 337.157 CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O GSGVDKOCBKBMGG-UHFFFAOYSA-N 6604928 BRD-K75478907-001-02-3 GS-39783 0 98.14 Tocris 2001 GS 39783 337.157 CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O GSGVDKOCBKBMGG-UHFFFAOYSA-N 6604928 BRD-K68453341-001-01-1 GS-6201 0 99.12 Tocris 4727 "3-ethyl-1-propyl-8-{1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-3,7-dihydro-1H-purine-2,6-dione" 446.168 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 KOYXXLLNCXWUNF-UHFFFAOYSA-N 11270783 BRD-K73585091-001-02-3 GS-9620 0 86.83 MedChemEx HY-15601 GS-9620 410.243 CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 VFOKSTCIRGDTBR-UHFFFAOYSA-N 46241268 BRD-K73585091-001-01-5 GS-9620 0 62.06 MedChemEx HY-15601 GS-9620 410.243 CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 VFOKSTCIRGDTBR-UHFFFAOYSA-N 46241268 BRD-K26526496-001-03-9 GS-967 0 92.97 Adooq A14361 "GS-967, GS 967" 347.049 FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F FEVBKJITJDHASC-UHFFFAOYSA-N 58118983 BRD-K76719364-001-06-6 GS-9973 0 82.6 MedChemEx HY-15968 GS-9973 411.181 C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3c[nH]nc3c2)cc1 XSMSNFMDVXXHGJ-UHFFFAOYSA-N 59473233 BRD-K76719364-001-01-7 GS-9973 0 73.36 Selleck S7523 GS-9973 411.181 C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3c[nH]nc3c2)cc1 XSMSNFMDVXXHGJ-UHFFFAOYSA-N 59473233 BRD-K76719364-001-04-1 GS-9973 0 83.98 MedChemEx HY-15968 GS-9973 411.181 C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3c[nH]nc3c2)cc1 XSMSNFMDVXXHGJ-UHFFFAOYSA-N 59473233 BRD-K76719364-001-02-5 GS-9973 0 92.11 Selleck S7523 Entospletinib (GS-9973) 411.181 C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3c[nH]nc3c2)cc1 XSMSNFMDVXXHGJ-UHFFFAOYSA-N 59473233 BRD-K04923131-001-15-4 GSK-3-inhibitor-IX 0 96.66 Tocris 3194 BIO 354.996 O\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2cc(Br)ccc12 DDLZLOKCJHBUHD-UJZLGWIISA-N BRD-K04923131-001-14-7 GSK-3-inhibitor-IX 0 90.59 Selleck S7198 BIO 354.996 O\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2cc(Br)ccc12 DDLZLOKCJHBUHD-UJZLGWIISA-N BRD-K32847255-001-01-1 GSK-J1 0 94.8 MedChemEx HY-15648 GSK-J1 389.185 OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 AVZCPICCWKMZDT-UHFFFAOYSA-N 56963315 BRD-K32847255-001-02-9 GSK-J1 0 83.18 Tocris 4593 GSK J1 389.185 OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 AVZCPICCWKMZDT-UHFFFAOYSA-N 56963315 BRD-K82484347-001-02-0 GSK-J2 0 94.82 Tocris 4688 GSK J2 389.185 OC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1 LJIFOCRGDDQFJF-UHFFFAOYSA-N 73010924 BRD-K82484347-001-01-2 GSK-J2 0 95.52 MedChemEx HY-15648A GSK-J2 389.185 OC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1 LJIFOCRGDDQFJF-UHFFFAOYSA-N 73010924 BRD-K98203492-001-06-9 GSK-J4 0 95.75 Tocris 4594 GSK J4 417.216 CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 WBKCKEHGXNWYMO-UHFFFAOYSA-N 71729975 BRD-K98203492-001-02-9 GSK-J4 0 83.42 Tocris 4594 GSK J4 417.216 CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 WBKCKEHGXNWYMO-UHFFFAOYSA-N 71729975 BRD-K98203492-003-04-1 GSK-J4 0 94.39 Selleck S7070 GSK J4 HCl 417.216 CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 WBKCKEHGXNWYMO-UHFFFAOYSA-N 71729975 BRD-K55438324-001-01-8 GSK-J5 0 95.18 Tocris 4689 GSK J5 417.216 CCOC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1 LQPGVGSKBNXQDU-UHFFFAOYSA-N 78243729 BRD-K33521504-300-02-4 GSK-LSD-1 0 37.79 Tocris 5361 GSK LSD 1 dihydrochloride 216.163 C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 BASFYRLYJAZPPL-UONOGXRCSA-N 71522234 BRD-K33521504-300-01-6 GSK-LSD-1 0 94.74 Cayman 16439 GSK-LSD1 hydrochloride 216.163 C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 "InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1" 71522234 BRD-K98684188-001-03-7 GSK0660 0 89 Tocris 3433 GSK 0660 418.066 COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC NDFKBGWLUHKMFY-UHFFFAOYSA-N 46233311 BRD-K98684188-001-02-9 GSK0660 0 96.98 Tocris 3433 GSK 0660 418.066 COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC NDFKBGWLUHKMFY-UHFFFAOYSA-N 46233311 BRD-K98684188-001-04-9 GSK0660 0 86.93 Tocris 3433 GSK 0660 418.066 COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC NDFKBGWLUHKMFY-UHFFFAOYSA-N 46233311 BRD-K06750613-001-04-0 GSK1059615 0 66.8 Selleck S1360 GSK1059615 333.057 O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1 QDITZBLZQQZVEE-YBEGLDIGSA-N 23582824 BRD-K06750613-001-07-3 GSK1059615 0 82.73 Selleck S1360 GSK1059615 333.057 O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1 QDITZBLZQQZVEE-YBEGLDIGSA-N 23582824 BRD-K36740062-001-07-9 GSK1070916 0 96.02 MedChemEx HY-70044 GSK-1070916 507.275 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 QTBWCSQGBMPECM-UHFFFAOYSA-N 46885626 BRD-K36740062-001-06-6 GSK1070916 0 96.68 Selleck S2740 GSK1070916 507.275 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 QTBWCSQGBMPECM-UHFFFAOYSA-N 46885626 BRD-K60341624-001-03-9 GSK1292263 0 93.62 MedChemEx HY-12066 GSK1292263 456.183 CC(C)c1noc(n1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)S(C)(=O)=O)CC1 AYJRTVVIBJSSKN-UHFFFAOYSA-N 24996872 BRD-K60341624-001-02-2 GSK1292263 0 97.16 Selleck S2149 GSK1292263 456.183 CC(C)c1noc(n1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)S(C)(=O)=O)CC1 AYJRTVVIBJSSKN-UHFFFAOYSA-N 24996872 BRD-K36697397-003-02-9 GSK1562590 0 96.68 Tocris 5110 GSK 1562590 hydrochloride 580.164 CN([C@@H](CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 QDUMEBKFKOODFN-SANMLTNESA-N 46846503 BRD-K36697397-003-01-1 GSK1562590 0 93.97 Tocris 5110 GSK 1562590 hydrochloride 580.164 CN([C@@H](CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 QDUMEBKFKOODFN-SANMLTNESA-N 46846503 BRD-K69669039-001-01-8 GSK163090 0 98.29 MedChemEx HY-14348 GSK163090 415.237 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 ANGUXJDGJCHGOG-UHFFFAOYSA-N 11292933 BRD-K06749501-001-06-9 GSK1838705A 0 91.02 Tocris 5111 GSK 1838705 532.235 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 HZTYDQRUAWIZRE-UHFFFAOYSA-N 25182616 BRD-K06749501-001-05-4 GSK1838705A 0 94.21 Tocris 5111 GSK 1838705 532.235 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 HZTYDQRUAWIZRE-UHFFFAOYSA-N 25182616 BRD-K06749501-001-02-1 GSK1838705A 0 81.53 Selleck S2703 GSK1838705A 532.235 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 HZTYDQRUAWIZRE-UHFFFAOYSA-N 25182616 BRD-K06749501-001-03-9 GSK1838705A 0 80.85 Selleck S2703 GSK1838705A 532.235 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 HZTYDQRUAWIZRE-UHFFFAOYSA-N 25182616 BRD-K00003166-001-01-9 GSK189254 0 96.08 MedChemEx HY-14111 "6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide" 351.195 CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 WROHEWWOCPRMIA-UHFFFAOYSA-N 9798547 BRD-K04833372-001-07-9 GSK1904529A 0 93.76 MedChemEx HY-10524 GSK1904529A 851.339 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O MOSKATHMXWSZTQ-UHFFFAOYSA-N 25124816 BRD-K04833372-001-06-2 GSK1904529A 0 93.1 Selleck S1093 GSK1904529A 851.339 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O MOSKATHMXWSZTQ-UHFFFAOYSA-N 25124816 BRD-K25412176-001-01-9 GSK2110183 0 86.22 MedChemEx HY-15727 Afuresertib 426.048 Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)N[C@H](CN)Cc1cccc(F)c1 AFJRDFWMXUECEW-LBPRGKRZSA-N 46843057 BRD-K25412176-001-04-9 GSK2110183 0 84.36 MedChemEx HY-15727 Afuresertib 426.048 Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)N[C@H](CN)Cc1cccc(F)c1 AFJRDFWMXUECEW-LBPRGKRZSA-N 46843057 BRD-K07972848-001-03-9 GSK2126458 0 95.97 MedChemEx HY-10297 Omipalisib 505.102 COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 CGBJSGAELGCMKE-UHFFFAOYSA-N 25167777 BRD-K07972848-001-02-0 GSK2126458 0 95.77 Selleck S2658 GSK2126458 (GSK458) 505.102 COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 CGBJSGAELGCMKE-UHFFFAOYSA-N 25167777 BRD-K15691453-236-01-6 GSK2190915 0 97.5 MedChemEx HY-15874A GSK2190915 (sodium salt) 637.297 CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 DFQGDHBGRSTTHX-UHFFFAOYSA-N 44473151 BRD-K90737788-001-02-9 GSK2193874 0 95.96 Tocris 5106 GSK 2193874 690.218 FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 UIVOZBSCHXCGPS-UHFFFAOYSA-N 53464483 BRD-K90737788-001-01-9 GSK2193874 0 92.6 Tocris 5106 GSK 2193874 690.218 FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 UIVOZBSCHXCGPS-UHFFFAOYSA-N 53464483 BRD-K95123482-001-01-6 GSK2194069 0 98.51 Tocris 5303 GSK 2194069 428.185 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1 AQTPWCUIYUOEMG-INIZCTEOSA-N 67376285 BRD-K95123482-001-02-9 GSK2194069 0 98.1 Tocris 5303 GSK 2194069 428.185 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1 AQTPWCUIYUOEMG-INIZCTEOSA-N 67376285 BRD-K00003364-001-01-9 GSK2239633A 0 93.36 MedChemEx HY-100183 GSK2239633A 548.095 COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 YTEVTHHGQMUPHC-UHFFFAOYSA-N 46861584 BRD-K00003379-001-01-9 GSK2256098 0 94.24 MedChemEx HY-100498 GSK2256098 414.157 CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl BVAHPPKGOOJSPU-UHFFFAOYSA-N 46214930 BRD-K62738477-001-01-7 GSK2256294A 0 96.85 MedChemEx HY-19644 GSK2256294A 447.199 CNc1nc(C)nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)n1 LQHDJQIMETZMPH-ZBFHGGJFSA-N 59448236 BRD-K05858796-001-01-7 GSK2330672 0 96.72 MedChemEx HY-16643 GSK2330672 546.24 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 CZGVOBIGEBDYTP-VSGBNLITSA-N 53492727 BRD-K70642949-001-04-5 GSK2334470 0 97.09 Tocris 4143 GSK 2334470 462.286 CNc1nc(cc(n1)-c1ccc2c(N)[nH]nc2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 QLPHOXTXAKOFMU-WBVHZDCISA-N 46215815 BRD-K70642949-001-05-2 GSK2334470 0 92.65 Focus Oct-4725 GSK2334470 462.286 CNc1nc(cc(n1)-c1ccc2c(N)[nH]nc2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 QLPHOXTXAKOFMU-WBVHZDCISA-N 46215815 BRD-K00004689-001-01-9 GSK239512 0 87.06 AMS L13378 GSK-239512 377.21 O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 YFRBKEVUUCQYOW-UHFFFAOYSA-N 9976892 BRD-K37590257-001-03-9 GSK256066 0 95.91 MedChemEx HY-10469 GSK256066 518.162 COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1 JFHROPTYMMSOLG-UHFFFAOYSA-N 9827968 BRD-K37590257-001-02-8 GSK256066 0 92.4 Selleck S2620 GSK256066 518.162 COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1 JFHROPTYMMSOLG-UHFFFAOYSA-N 9827968 BRD-K30185465-001-04-9 GSK2578215A 0 96.66 Tocris 4629 GSK2578215A 399.138 Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 WCIGMFCFPXZRMQ-UHFFFAOYSA-N 68107965 BRD-K30185465-001-03-0 GSK2578215A 0 98.57 Tocris 4629 GSK2578215A 399.138 Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 WCIGMFCFPXZRMQ-UHFFFAOYSA-N 68107965 BRD-K81689258-001-04-8 GSK2606414 0 90.4 MedChemEx HY-18072 GSK2606414 451.162 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 SIXVRXARNAVBTC-UHFFFAOYSA-N 53469448 BRD-K81689258-001-03-0 GSK2606414 0 90.36 Tocris 5107 GSK 2606414 451.162 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 SIXVRXARNAVBTC-UHFFFAOYSA-N 53469448 BRD-K81689258-001-02-2 GSK2606414 0 51.53 MedChemEx HY-18072 GSK2606414 451.162 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 SIXVRXARNAVBTC-UHFFFAOYSA-N 53469448 BRD-K49215523-001-04-2 GSK2636771 0 89.37 Selleck S8002 GSK2636771 433.161 Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O XTKLTGBKIDQGQL-UHFFFAOYSA-N 56949517 BRD-K49215523-001-05-9 GSK2636771 0 91.39 Selleck S8002 GSK2636771 433.161 Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O XTKLTGBKIDQGQL-UHFFFAOYSA-N 56949517 BRD-K41104902-001-01-3 GSK2656157 0 95.49 Selleck S7033 GSK2656157 416.176 Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 PRWSIEBRGXYXAJ-UHFFFAOYSA-N 53469059 BRD-K89464729-001-03-1 GSK269962 0 98.12 Tocris 4009 GSK 269962 570.234 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N YOVNFNXUCOWYSG-UHFFFAOYSA-N 16095342 BRD-K89464729-001-04-9 GSK269962 0 96.29 Tocris 4009 GSK 269962 570.234 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N YOVNFNXUCOWYSG-UHFFFAOYSA-N 16095342 BRD-K48062199-001-01-8 GSK2801 0 97.85 MedChemEx HY-15658 GSK2801 371.119 CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O KHWCPNJRJCNVRI-UHFFFAOYSA-N 73010930 BRD-K21867462-001-03-7 GSK2816126 0 88.86 MedChemEx HY-13470 GSK126 526.306 CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O FKSFKBQGSFSOSM-QFIPXVFZSA-N 68210102 BRD-K21867462-001-02-9 GSK2816126 0 79.89 MedChemEx HY-13470 GSK126 526.306 CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O FKSFKBQGSFSOSM-QFIPXVFZSA-N 68210102 BRD-K17472821-001-01-2 GSK2830371 0 93.44 MedChemEx HY-15832 GSK 2830371 460.17 Cc1ncc(Cl)cc1NCc1ccc(s1)C(=O)N[C@@H](CC1CCCC1)C(=O)NC1CC1 IVDUVEGCMXCMSO-FQEVSTJZSA-N 70983932 BRD-K17472821-001-02-0 GSK2830371 0 91.99 Tocris 5140 GSK 2830371 460.17 Cc1ncc(Cl)cc1NCc1ccc(s1)C(=O)N[C@@H](CC1CCCC1)C(=O)NC1CC1 IVDUVEGCMXCMSO-FQEVSTJZSA-N 70983932 BRD-K50679358-001-02-9 GSK2837808A 0 97.34 Tocris 5189 GSK 2837808A 649.144 COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1 RZBCPMYJIARMGV-UHFFFAOYSA-N 71533725 BRD-K50679358-001-01-1 GSK2837808A 0 92.69 Tocris 5189 GSK 2837808A 649.144 COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1 RZBCPMYJIARMGV-UHFFFAOYSA-N 71533725 BRD-K08398903-001-02-9 GSK2838232 0 53.19 MedChemEx HY-15884 GSK2838232 808.516 CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1 |c:3| MEOWKUXNVNJAMY-PZFKGGKESA-N 71580991 BRD-K08398903-001-01-1 GSK2838232 0 81.68 MedChemEx HY-15884 GSK2838232 808.516 CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1 |c:3| MEOWKUXNVNJAMY-PZFKGGKESA-N 71580991 BRD-K09223495-001-01-4 GSK2879552 0 97.24 MedChemEx HY-18632 GSK2879552 364.215 OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 LRULVYSBRWUVGR-FCHUYYIVSA-N 66571643 BRD-K97656802-001-02-9 GSK2881078 0 95.08 MedChemEx HY-100186 GSK-2881078 330.065 C[C@H](CS(C)(=O)=O)n1ccc2c(c(ccc12)C#N)C(F)(F)F SKDVMPZQJMZEAC-SECBINFHSA-N 86709174 BRD-K00003292-001-01-9 GSK2981278 0 97.67 MedChemEx HY-19770 GSK2981278 461.224 CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1 LZLBRISQTJVZNP-UHFFFAOYSA-N 89875987 BRD-K00003429-001-01-9 GSK2982772 0 89.05 MedChemEx HY-101760 GSK2982772 377.149 CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n[nH]2)C1=O LYPAFUINURXJSG-AWEZNQCLSA-N 77108121 BRD-K00004614-001-01-9 GSK3117391 0 94.45 MedChemEx HY-19772 HDAC-IN-3 403.247 ONC(=O)CCc1ccc(CN[C@@H](C2CCCCC2)C(=O)OC2CCCC2)cn1 AFDPFLDWOXXHQM-NRFANRHFSA-N 53630042 BRD-K00003373-001-01-9 GSK3179106 0 98.7 MedChemEx HY-100459 GSK3179106 467.147 CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 IDXKJSSOUXWLDB-UHFFFAOYSA-N 78427026 BRD-K00003421-001-01-9 GSK3326595 0 92.53 MedChemEx HY-101563 GSK3326595 452.254 CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 JLCCNYVTIWRPIZ-NRFANRHFSA-N 90241742 BRD-K00004711-001-01-9 GSK356278 0 86.68 AMS M15716 GSK-356278 439.179 CCn1ncc2c(NC3CCOCC3)c(cnc12)-c1nnc(Cc2sc(C)nc2C)o1 AWDJJMXJUOHGLC-UHFFFAOYSA-N 10252640 BRD-K00003121-300-01-9 GSK369796 0 98.23 MedChemEx HY-12082A GSK369796 Dihydrochloride 355.145 CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O ZVMMVSSEAMUNGI-UHFFFAOYSA-N 10316203 BRD-K26514105-001-02-9 GSK37647 0 96.74 Tocris 5257 GSK 137647 305.109 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C FQUAFMNPXPXOJE-UHFFFAOYSA-N 743974 BRD-K26514105-001-01-7 GSK37647 0 98.11 Tocris 5257 GSK 137647 305.109 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C FQUAFMNPXPXOJE-UHFFFAOYSA-N 743974 BRD-K03155172-001-03-0 GSK3787 0 90.79 Tocris 3961 GSK 3787 392.021 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 JFUIMTGOQCQTPF-UHFFFAOYSA-N 2800647 BRD-K03155172-001-02-2 GSK3787 0 95.61 Selleck S8025 GSK3787 392.021 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 JFUIMTGOQCQTPF-UHFFFAOYSA-N 2800647 BRD-K03155172-001-05-9 GSK3787 0 95.4 Tocris 3961 GSK 3787 392.021 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 JFUIMTGOQCQTPF-UHFFFAOYSA-N 2800647 BRD-A10523515-001-11-1 GSK429286A 0 96.54 MedChemEx HY-11000 GSK429286A 432.121 "CC1=C([C@@H](CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2c[nH]nc2cc1F |&1:3,r,t:1|" OLIIUAHHAZEXEX-AWEZNQCLSA-N 92472001 BRD-A10523515-001-10-3 GSK429286A 0 96.14 Tocris 3726 GSK 429286 432.121 "CC1=C([C@@H](CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2c[nH]nc2cc1F |&1:3,r,t:1|" OLIIUAHHAZEXEX-AWEZNQCLSA-N 92472001 BRD-A10523515-001-07-9 GSK429286A 0 95.31 Selleck S1474 GSK429286A 432.121 "CC1=C([C@@H](CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2c[nH]nc2cc1F |&1:3,r,t:1|" OLIIUAHHAZEXEX-AWEZNQCLSA-N 92472001 BRD-K92428232-001-14-9 GSK461364 0 97.9 MedChemEx HY-50877 GSK461364 543.192 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F ZHJGWYRLJUCMRT-QGZVFWFLSA-N 15983966 BRD-K92428232-001-10-6 GSK461364 0 94.3 Selleck S2193 GSK461364 543.192 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F ZHJGWYRLJUCMRT-QGZVFWFLSA-N 15983966 BRD-K72293620-001-01-7 GSK503 0 94.9 MedChemEx HY-12856 GSK503 526.306 CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O HRDQQHUKUIKFHT-UHFFFAOYSA-N 67469117 BRD-K14991967-001-04-2 GSK650394 0 97.46 MedChemEx HY-15192 GSK 650394 382.168 OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 WVSBGSNVCDAMCF-UHFFFAOYSA-N 25022668 BRD-K14991967-001-02-6 GSK650394 0 97.21 Tocris 3572 GSK 650394 382.168 OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 WVSBGSNVCDAMCF-UHFFFAOYSA-N 25022668 BRD-K14991967-001-03-4 GSK650394 0 97.79 Tocris 3572 GSK 650394 382.168 OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 WVSBGSNVCDAMCF-UHFFFAOYSA-N 25022668 BRD-K00003483-003-01-9 GSK656 0 73.31 MedChemEx HY-107775 GSK656 257.063 NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO DJUOWOXTPXUHDQ-MRVPVSSYSA-N 133080621 BRD-K25325018-001-05-6 GSK690693 0 97.21 Selleck S1113 GSK690693 425.218 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N KGPGFQWBCSZGEL-ZDUSSCGKSA-N 16725726 BRD-K25325018-001-02-3 GSK690693 0 62.13 Selleck S1113 GSK690693 425.218 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N KGPGFQWBCSZGEL-ZDUSSCGKSA-N 16725726 BRD-K25325018-001-06-4 GSK690693 0 73.67 Tocris 4144 GSK 690693 425.218 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N KGPGFQWBCSZGEL-ZDUSSCGKSA-N 16725726 BRD-K29174426-001-01-9 BRD-K29328421-001-01-6 GSK9027 0 96.16 Tocris 4116 GSK 9027 525.113 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F DXBJGDVBQPEMOB-UHFFFAOYSA-N 24882669 BRD-K29328421-001-02-9 GSK9027 0 97.08 Tocris 4116 GSK 9027 525.113 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F DXBJGDVBQPEMOB-UHFFFAOYSA-N 24882669 BRD-K89015388-001-02-9 GSK923295 0 97.04 MedChemEx HY-10299 GSK-923295 591.261 CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc1ccc(cc1)-c1cn2cccc([C@H](C)O)c2n1 WHMXDBPHBVLYRC-OFVILXPXSA-N 46898058 BRD-K89015388-001-01-7 GSK923295 0 88.45 MedChemEx HY-10299 GSK-923295 591.261 CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc1ccc(cc1)-c1cn2cccc([C@H](C)O)c2n1 WHMXDBPHBVLYRC-OFVILXPXSA-N 46898058 BRD-K16664969-001-04-1 GTP-14564 0 98.68 Tocris 2086 GTP 14564 234.079 c1ccc(cc1)-c1[nH]nc2c3ccccc3oc12 DZQLVVLATXPWBK-UHFFFAOYSA-N 3385203 BRD-K16664969-001-07-9 GTP-14564 0 96.1 Tocris 2086 GTP 14564 234.079 c1ccc(cc1)-c1[nH]nc2c3ccccc3oc12 DZQLVVLATXPWBK-UHFFFAOYSA-N 3385203 BRD-K16664969-001-03-3 GTP-14564 0 98.47 Tocris 2086 GTP 14564 234.079 c1ccc(cc1)-c1[nH]nc2c3ccccc3oc12 DZQLVVLATXPWBK-UHFFFAOYSA-N 3385203 BRD-K14235254-001-01-2 GTS21 0 98.14 ChemDiv Y010-1225 308.152 COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11| RPYWXZCFYPVCNQ-RVDMUPIBSA-N 5310985 BRD-K14235254-300-02-9 GTS21 0 94.74 MedChemEx HY-14564A GTS-21 (dihydrochloride) 308.152 COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11| RPYWXZCFYPVCNQ-RVDMUPIBSA-N 5310985 BRD-K00739965-001-01-9 guacetisal 0 96.88 AvaChem 2814 2-methoxyphenyl 2-(acetyloxy)benzoate 286.084 COc1ccccc1OC(=O)c1ccccc1OC(C)=O HSJFYRYGGKLQBT-UHFFFAOYSA-N 68749 BRD-K00003187-236-01-9 guadecitabine 0 100 MedChemEx HY-15229 Guadecitabine sodium 557.138 Nc1ncn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3[nH]c(N)nc4=O)[C@@H](CO)O2)c(=O)n1 GUWXKKAWLCENJA-WGWHJZDNSA-N 135564655 BRD-K96282009-001-08-8 guaiacol 0 0 MicroSource 1506165 GUAIACOL 124.052 COc1ccccc1O LHGVFZTZFXWLCP-UHFFFAOYSA-N 460 BRD-K96282009-001-12-9 guaiacol 0 0 MedChemEx HY-N1380 Guaiacol 124.052 COc1ccccc1O LHGVFZTZFXWLCP-UHFFFAOYSA-N 460 BRD-A90515964-001-18-9 guaifenesin 0 93.74 MedChemEx HY-B0264 Guaifenesin 198.089 "COc1ccccc1OC[C@@H](O)CO |&1:10,r|" HSRJKNPTNIJEKV-QMMMGPOBSA-N 6950715 BRD-A90515964-001-16-5 guaifenesin 0 98.9 MicroSource 1500321 GUAIFENESIN 198.089 "COc1ccccc1OC[C@@H](O)CO |&1:10,r|" HSRJKNPTNIJEKV-QMMMGPOBSA-N 6950715 BRD-A90515964-001-15-7 guaifenesin 0 94.26 Selleck S1740 Guaifenesin 198.089 "COc1ccccc1OC[C@@H](O)CO |&1:10,r|" HSRJKNPTNIJEKV-QMMMGPOBSA-N 6950715 BRD-K62736196-015-10-2 guanaben-acetate 0 85.09 Tocris 885 Guanabenz acetate 230.013 NC(=N)N\N=C\c1c(Cl)cccc1Cl WDZVGELJXXEGPV-YIXHJXPBSA-N 5702063 BRD-K62736196-015-09-4 guanaben-acetate 0 65.39 Selleck S4065 Guanabenz Acetate 230.013 NC(=N)N\N=C\c1c(Cl)cccc1Cl WDZVGELJXXEGPV-YIXHJXPBSA-N 5702063 BRD-K62736196-015-13-6 guanaben-acetate 0 91.73 MicroSource 1500322 GUANABENZ ACETATE 230.013 NC(=N)N\N=C\c1c(Cl)cccc1Cl WDZVGELJXXEGPV-YIXHJXPBSA-N 5702063 BRD-K56800335-015-04-9 BRD-K62736196-015-11-0 guanaben-acetate 0 95.27 Selleck S4065 Guanabenz (WY-8678) Acetate 230.013 NC(=N)N\N=C\c1c(Cl)cccc1Cl WDZVGELJXXEGPV-YIXHJXPBSA-N 5702063 BRD-A14262390-065-01-8 guanadrel 0 100 MicroSource 1505544 GUANADREL SULFATE 213.148 NC(=N)NC[C@H]1COC2(CCCCC2)O1 |&1:5| HPBNRIOWIXYZFK-QMMMGPOBSA-N 45356255 BRD-K00005334-001-01-9 guancydine 0 90.34 MedChemEx HY-101554 Guancydine 154.122 CCC(C)(C)NC(=N)NC#N VZVGEDRCVUKSEL-UHFFFAOYSA-N 14211 BRD-K62676709-001-01-9 guanethidine 0 0 MicroSource 1500323 GUANETHIDINE 198.184 NC(=N)NCCN1CCCCCCC1 ACGDKVXYNVEAGU-UHFFFAOYSA-N 3518 BRD-K62676709-065-05-5 guanethidine 0 100 Selleck S4328 Guanethidine Sulfate 198.184 NC(=N)NCCN1CCCCCCC1 ACGDKVXYNVEAGU-UHFFFAOYSA-N 3518 BRD-M18219129-065-04-2 BRD-K62676709-065-06-9 guanethidine 0 23.07 MedChemEx HY-B0800 Guanethidine (sulfate) 198.184 NC(=N)NCCN1CCCCCCC1 ACGDKVXYNVEAGU-UHFFFAOYSA-N 3518 BRD-K32830106-003-21-2 guanfacine 0 19.92 MicroSource 1505435 GUANFACINE HYDROCHLORIDE 245.012 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl INJOMKTZOLKMBF-UHFFFAOYSA-N 3519 BRD-K32830106-001-02-6 guanfacine 0 100 MicroSource 1505435 GUANFACINE 245.012 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl INJOMKTZOLKMBF-UHFFFAOYSA-N 3519 BRD-K32830106-003-20-4 guanfacine 0 99.04 Tocris 1030 Guanfacine hydrochloride 245.012 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl INJOMKTZOLKMBF-UHFFFAOYSA-N 3519 BRD-K76037122-003-03-9 guanidine 0 100 MedChemEx HY-B0178A Guanidine (hydrochloride) 59.048 NC(N)=N ZRALSGWEFCBTJO-UHFFFAOYSA-N 3520 BRD-K76037122-001-01-7 guanidine 0 95.94 MicroSource 1300022 GUANIDINE HYDROCHLORIDE 59.048 NC(N)=N ZRALSGWEFCBTJO-UHFFFAOYSA-N 3520 BRD-M47712611-001-04-1|BRD-M29095938-001-02-3 BRD-K76037122-001-02-5 guanidine 0 98.46 Selleck S4070 Guanidine HCl 59.048 NC(N)=N ZRALSGWEFCBTJO-UHFFFAOYSA-N 3520 BRD-M47712611-001-03-3 BRD-K69191882-065-01-6 guanidinoethyldisulfide-bicarbonate 1 0 TygerSci G67400 N-[2-(2-Guanidino-ethyldisulfanyl)-ethyl]guanidine H2SO4 236.088 NC(=N)NCCSSCCNC(N)=N IRMTXMJNHRISQH-UHFFFAOYSA-N 3521 BRD-K50781608-001-02-1 guanidinopropionic-acid 0 0 Sigma MFCD00045939 N-[amino(imino)methyl]-beta-alanine 131.069 NC(=N)NCCC(O)=O KMXXSJLYVJEBHI-UHFFFAOYSA-N 67701 BRD-K67644125-001-03-9 guanosine 0 91.3 MedChemEx HY-N0097 Guanosine 283.092 Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 NYHBQMYGNKIUIF-UUOKFMHZSA-N 135398635 BRD-K18745919-001-02-9 Gue-1654 0 95.32 Tocris 4742 Gue 1654 447.053 CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1 UFOBDFMYJABXGK-UHFFFAOYSA-N 5066134 BRD-K18745919-001-01-3 Gue-1654 0 96.81 Tocris 4742 Gue 1654 447.053 CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1 UFOBDFMYJABXGK-UHFFFAOYSA-N 5066134 BRD-K01980392-003-11-6 guvacine 0 100 Tocris 234 Guvacine hydrochloride 127.063 OC(=O)C1=CCCNC1 |t:3| QTDZOWFRBNTPQR-UHFFFAOYSA-N 40468028 BRD-K01980392-003-12-9 guvacine 0 100 Tocris 234 Guvacine hydrochloride 127.063 OC(=O)C1=CCCNC1 |t:3| QTDZOWFRBNTPQR-UHFFFAOYSA-N 40468028 BRD-K82983861-001-06-8 GW-0742 0 96.73 Tocris 2229 GW 0742 471.059 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F HWVNEWGKWRGSRK-UHFFFAOYSA-N 9934458 BRD-K82983861-001-05-0 GW-0742 0 90.36 Tocris 2229 GW 0742 471.059 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F HWVNEWGKWRGSRK-UHFFFAOYSA-N 9934458 BRD-K82983861-001-04-3 GW-0742 0 91.3 Selleck S8020 GW0742 471.059 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F HWVNEWGKWRGSRK-UHFFFAOYSA-N 9934458 BRD-K82983861-001-07-9 GW-0742 0 95.73 Tocris 2229 GW 0742 471.059 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F HWVNEWGKWRGSRK-UHFFFAOYSA-N 9934458 BRD-K23614267-001-01-2 GW-1100 0 93.14 MedChemEx HY-50691 GW-1100 520.158 CCOC(=O)c1ccc(cc1)-n1cc(Cc2cnc(OCC)nc2)c(=O)nc1SCc1ccc(F)cc1 PTPNCCWOTBBVJR-UHFFFAOYSA-N 11692123 BRD-K00004238-003-01-9 GW-1929 0 94.94 Tocris 1664 GW 1929 hydrochloride 495.216 CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 QTQMRBZOBKYXCG-MHZLTWQESA-N 6518171 BRD-K24242599-001-02-8 GW-2580 0 94.93 Selleck S8042 GW2580 366.169 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 MYQAUKPBNJWPIE-UHFFFAOYSA-N 11617559 BRD-K37864785-001-01-0 GW-311616 0 97.39 MedChemEx HY-15891 GW311616 397.204 CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O NDNKNUMSTIMSHQ-URZKGLGPSA-N 9800961 BRD-K37864785-001-02-9 GW-311616 0 96 MedChemEx HY-15891 GW311616 397.204 CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O NDNKNUMSTIMSHQ-URZKGLGPSA-N 9800961 BRD-K33818169-003-05-3 GW-3965 0 97.77 Tocris 2474 GW 3965 hydrochloride 581.194 OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 NAXSRXHZFIBFMI-UHFFFAOYSA-N 72199895 BRD-K33818169-003-04-6 GW-3965 0 98.12 Tocris 2474 GW 3965 hydrochloride 581.194 OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 NAXSRXHZFIBFMI-UHFFFAOYSA-N 72199895 BRD-K33818169-003-06-9 GW-3965 0 96.1 Tocris 2474 GW 3965 hydrochloride 581.194 OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 NAXSRXHZFIBFMI-UHFFFAOYSA-N 72199895 BRD-K33818169-003-03-8 GW-3965 0 96.96 Selleck S2630 GW3965 HCl 581.194 OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 NAXSRXHZFIBFMI-UHFFFAOYSA-N 72199895 BRD-K10705233-001-02-2 GW-405833 0 95.83 Tocris 2374 GW 405833 446.116 COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 FSFZRNZSZYDVLI-UHFFFAOYSA-N 9911463 BRD-K88186167-001-05-5 GW-4064 0 93.5 Tocris 2473 GW 4064 541.061 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl BYTNEISLBIENSA-MDZDMXLPSA-N 9893571 BRD-K88186167-001-04-8 GW-4064 0 96.96 Selleck S2782 GW4064 541.061 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl BYTNEISLBIENSA-MDZDMXLPSA-N 9893571 BRD-K88186167-001-06-9 GW-4064 0 98.07 Tocris 2473 GW 4064 541.061 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl BYTNEISLBIENSA-MDZDMXLPSA-N 9893571 BRD-K13039700-066-01-2 GW-438014A 0 96.45 Tocris 4669 GW 438014A 341.153 O=C(Nc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 CDUDZZGLFOFINU-UHFFFAOYSA-N 6918627 BRD-K13039700-066-02-0 GW-438014A 0 98.07 Sigma SML0855-5MG GW438014A 341.153 O=C(Nc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 CDUDZZGLFOFINU-UHFFFAOYSA-N 6918627 BRD-K41312087-001-02-7 GW-441756 0 96.24 Tocris 2238 GW 441756 275.106 Cn1cc(\C=C2/C(=O)Nc3cccnc23)c2ccccc12 NXNQLECPAXXYTR-LCYFTJDESA-N 9943465 BRD-K41312087-001-01-9 GW-441756 0 94.81 Selleck S2891 GW441756 275.106 Cn1cc(\C=C2/C(=O)Nc3cccnc23)c2ccccc12 NXNQLECPAXXYTR-LCYFTJDESA-N 9943465 BRD-K14880289-001-03-0 GW-501516 0 95.38 MedChemEx HY-10838 GW 501516 453.068 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F YDBLKRPLXZNVNB-UHFFFAOYSA-N 9803963 BRD-K14880289-001-02-2 GW-501516 0 77.86 MedChemEx HY-10838 GW 501516 453.068 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F YDBLKRPLXZNVNB-UHFFFAOYSA-N 9803963 BRD-K39520573-001-05-9 GW-5074 0 47.84 Tocris 1381 GW 5074 518.797 Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br LMXYVLFTZRPNRV-UHFFFAOYSA-N 5034 BRD-K39520573-001-03-8 GW-5074 0 56.75 Selleck S2872 GW5074 518.797 Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br LMXYVLFTZRPNRV-UHFFFAOYSA-N 5034 BRD-K07859598-001-13-8 BRD-K39520573-001-04-6 GW-5074 0 54.95 Tocris 1381 GW 5074 518.797 Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br LMXYVLFTZRPNRV-UHFFFAOYSA-N 5034 BRD-K07859598-001-12-0 BRD-K39520573-001-02-0 GW-5074 0 58.05 Selleck S2872 GW5074 518.797 Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br LMXYVLFTZRPNRV-UHFFFAOYSA-N 5034 BRD-K93653303-001-01-1 BRD-K36485341-001-01-2 GW-542573X 0 91.84 Tocris 4311 GW 542573X 364.2 COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C SAXGSDIZIYFNKD-UHFFFAOYSA-N 24885053 BRD-K36485341-001-02-9 GW-542573X 0 95.23 Tocris 4311 GW 542573X 364.2 COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C SAXGSDIZIYFNKD-UHFFFAOYSA-N 24885053 BRD-K79930101-300-05-9 GW-583340 0 94.85 Tocris 2239 GW 583340 dihydrochloride 597.107 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 MNNXRVSQOABRRP-UHFFFAOYSA-N 5329480 BRD-K79930101-300-04-5 GW-583340 0 93.17 Tocris 2239 GW 583340 dihydrochloride 597.107 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 MNNXRVSQOABRRP-UHFFFAOYSA-N 5329480 BRD-K79930101-300-03-7 GW-583340 0 89.75 Tocris 2239 GW 583340 dihydrochloride 597.107 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 MNNXRVSQOABRRP-UHFFFAOYSA-N 5329480 BRD-K50005760-001-02-9 GW-627368 0 97.78 Tocris 4668 GW 627368 544.167 CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1 XREWXJVMYAXCJV-UHFFFAOYSA-N 5312130 BRD-K50005760-001-01-1 GW-627368 0 99.49 Tocris 4668 GW 627368 544.167 CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1 XREWXJVMYAXCJV-UHFFFAOYSA-N 5312130 BRD-K20828910-001-03-9 GW-6471 0 94.98 Tocris 4618 GW 6471 619.266 CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F TYEFSRMOUXWTDN-DYQICHDWSA-N 446738 BRD-K20828910-001-02-0 GW-6471 0 97.24 Tocris 4618 GW 6471 619.266 CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F TYEFSRMOUXWTDN-DYQICHDWSA-N 446738 BRD-K20828910-001-01-2 GW-6471 0 97.07 Tocris 4618 GW 6471 619.266 CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F TYEFSRMOUXWTDN-DYQICHDWSA-N 446738 BRD-K96263742-001-15-5 GW-7647 0 96.23 Tocris 1677 GW 7647 502.323 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O PKNYXWMTHFMHKD-UHFFFAOYSA-N 3392731 BRD-K96263742-001-16-9 GW-7647 0 94.69 Tocris 1677 GW 7647 502.323 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O PKNYXWMTHFMHKD-UHFFFAOYSA-N 3392731 BRD-K96263742-001-14-8 GW-7647 0 97.97 Tocris 1677 GW 7647 502.323 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O PKNYXWMTHFMHKD-UHFFFAOYSA-N 3392731 BRD-K78086729-001-03-5 GW-788388 0 88.33 Tocris 3264 GW 788388 425.185 O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 SAGZIBJAQGBRQA-UHFFFAOYSA-N 10202642 BRD-K78086729-001-04-9 GW-788388 0 97.82 Tocris 3264 GW 788388 425.185 O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 SAGZIBJAQGBRQA-UHFFFAOYSA-N 10202642 BRD-K78086729-001-02-7 GW-788388 0 95 Selleck S2750 GW788388 425.185 O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 SAGZIBJAQGBRQA-UHFFFAOYSA-N 10202642 BRD-K65576800-001-01-6 GW-803430 0 93.27 Tocris 4242 "6-(4-chlorophenyl)-3-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}thieno[3,2-d]pyrimidin-4(3H)-one" 481.123 COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 MWULMTACIBZPGN-UHFFFAOYSA-N 9826520 BRD-K26823213-001-03-9 GW-842166 0 96.07 MedChemEx HY-14167 GW842166X 448.068 FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 TWQYWUXBZHPIIV-UHFFFAOYSA-N 10253143 BRD-K26823213-001-02-9 GW-842166 0 97.52 Selleck S2778 GW842166X 448.068 FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 TWQYWUXBZHPIIV-UHFFFAOYSA-N 10253143 BRD-K90382497-001-10-7 GW-843682X 0 98.98 Tocris 2977 GW 843682X 477.097 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC JSKUWFIZUALZLX-UHFFFAOYSA-N 9826308 BRD-K90382497-001-14-9 GW-843682X 0 97.9 Tocris 2977 GW 843682X 477.097 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC JSKUWFIZUALZLX-UHFFFAOYSA-N 9826308 BRD-K90382497-001-13-1 GW-843682X 0 97.59 Tocris 2977 GW 843682X 477.097 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC JSKUWFIZUALZLX-UHFFFAOYSA-N 9826308 BRD-K71534238-001-12-6 GW-9508 0 94.14 Tocris 2649 GW 9508 347.152 OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 DGENZVKCTGIDRZ-UHFFFAOYSA-N 11595431 BRD-K71534238-001-11-8 GW-9508 0 90.01 Tocris 2649 GW 9508 347.152 OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 DGENZVKCTGIDRZ-UHFFFAOYSA-N 11595431 BRD-K71534238-001-13-9 GW-9508 0 94.17 Tocris 2649 GW 9508 347.152 OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 DGENZVKCTGIDRZ-UHFFFAOYSA-N 11595431 BRD-K71534238-001-10-0 GW-9508 0 90.37 Selleck S8014 GW9508 347.152 OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 DGENZVKCTGIDRZ-UHFFFAOYSA-N 11595431 BRD-K93258693-001-19-9 GW-9662 0 97.3 Tocris 1508 GW 9662 276.03 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1 DNTSIBUQMRRYIU-UHFFFAOYSA-N 644213 BRD-K93258693-001-16-5 GW-9662 0 97.21 Selleck S2915 GW9662 276.03 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1 DNTSIBUQMRRYIU-UHFFFAOYSA-N 644213 BRD-K93258693-001-17-3 GW-9662 0 98.73 Tocris 1508 GW 9662 276.03 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1 DNTSIBUQMRRYIU-UHFFFAOYSA-N 644213 BRD-K65840970-001-02-9 GW274150 0 0 MedChemEx HY-12119 GW274150 219.104 CC(=N)NCCSCC[C@H](N)C(O)=O MOLOJNHYNHBPCW-ZETCQYMHSA-N 9797017 BRD-K24240364-003-09-6 GYKI-52466 0 68.47 Tocris 1454 GYKI 52466 dihydrochloride 293.116 "CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|" LFBZZHVSGAHQPP-UHFFFAOYSA-N 3538 BRD-K24240364-003-08-8 GYKI-52466 0 71.41 Tocris 1454 GYKI 52466 hydrochloride 293.116 "CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|" LFBZZHVSGAHQPP-UHFFFAOYSA-N 3538 BRD-K24240364-003-02-1 GYKI-52466 0 Tocris 1454 GYKI 52466 hydrochloride 293.116 "CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|" "InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3" 3538 BRD-K58775955-001-04-9 gynostemma-extract 0 0 MedChemEx HY-N0167 Gynostemma Extract 916.54 CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C ZTQSADJAYQOCDD-HUGMCNGHSA-N 46887681 BRD-K58775955-001-02-4 gynostemma-extract 0 2.21 Selleck S2306 Gynostemma Extract 916.54 CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C ZTQSADJAYQOCDD-HUGMCNGHSA-N 46887681 BRD-K58775955-001-03-2 gynostemma-extract 0 1.7 Selleck S2306 Gynostemma Extract 916.54 CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C ZTQSADJAYQOCDD-HUGMCNGHSA-N 46887681 BRD-K75189747-001-01-2 BRD-K35329391-334-01-7 GZD824 0 96.81 Selleck S7194 GZD824 532.22 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4n[nH]cc4c3)cc2C(F)(F)F)CC1 TZKBVRDEOITLRB-UHFFFAOYSA-N 51038269 BRD-K35329391-334-02-5 GZD824 0 96.18 Selleck S7194 GZD824 dimesylate 532.22 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4n[nH]cc4c3)cc2C(F)(F)F)CC1 TZKBVRDEOITLRB-UHFFFAOYSA-N 51038269 BRD-K00005333-001-01-9 H-151 0 84.87 MedChemEx HY-112693 H-151 279.137 CCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1 UJZDIKVQFMCLBE-UHFFFAOYSA-N 7616033 BRD-K27737647-300-03-0 H-89 0 97.93 Selleck S1582 H 89 2HCl 445.046 Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 ZKZXNDJNWUTGDK-NSCUHMNNSA-N 449241 BRD-K27737647-300-04-8 H-89 0 94.99 Tocris 2910 H 89 dihydrochloride 445.046 Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 ZKZXNDJNWUTGDK-NSCUHMNNSA-N 449241 BRD-K27737647-300-08-9 H-89 0 96.14 Tocris 2910 H 89 dihydrochloride 445.046 Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 ZKZXNDJNWUTGDK-NSCUHMNNSA-N 449241 BRD-K26439554-001-02-9 H2L-5765834 0 91.6 Tocris 4870 H2L 5765834 404.064 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 HFYPTENHTPNXGP-UHFFFAOYSA-N 1365686 BRD-K26439554-001-01-3 H2L-5765834 0 95.78 Tocris 4870 H2L 5765834 404.064 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1 HFYPTENHTPNXGP-UHFFFAOYSA-N 1365686 BRD-K05434375-001-06-5 HA-1004 0 98.82 Enzo EI184 HA-1004 293.095 NC(=N)NCCNS(=O)(=O)c1cccc2cnccc12 MZNDNBFMSVMUCX-UHFFFAOYSA-N 3546 BRD-K64452997-001-01-4 HA-130 0 90.3 Tocris 4196 HA 130 463.106 OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 VTNKMYWFWQTEHE-XKZIYDEJSA-N 46911532 BRD-K64452997-001-02-9 HA-130 0 97.61 Tocris 4196 HA 130 463.106 OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 VTNKMYWFWQTEHE-XKZIYDEJSA-N 46911532 BRD-K58046914-001-03-8 HA-966-(R)-(+) 0 100 Tocris 281 (R)-(+)-HA-966 116.059 N[C@@H]1CCN(O)C1=O HCKUBNLZMKAEIN-GSVOUGTGSA-N 6603720 BRD-K58046914-001-04-9 HA-966-(R)-(+) 0 100 Tocris 281 (R)-(+)-HA-966 116.059 N[C@@H]1CCN(O)C1=O HCKUBNLZMKAEIN-GSVOUGTGSA-N 6603720 BRD-K41304947-001-03-2 HA-966-(S)-(-) 0 100 Tocris 282 (S)-(-)-HA-966 116.059 N[C@H]1CCN(O)C1=O HCKUBNLZMKAEIN-VKHMYHEASA-N 183351 BRD-K41304947-001-04-9 HA-966-(S)-(-) 0 100 Tocris 282 (S)-(-)-HA-966 116.059 N[C@H]1CCN(O)C1=O HCKUBNLZMKAEIN-VKHMYHEASA-N 183351 BRD-K18163608-001-02-3 HA14-1 0 0 Selleck S1071 408.032 "CCOC(=O)[C@@H](C#N)[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc12 |&1:5,8,r,t:14|" SXJDCULZDFWMJC-AAEUAGOBSA-N 6976314 BRD-K18163608-001-05-6 HA14-1 0 95.14 Selleck S1071 408.032 "CCOC(=O)[C@@H](C#N)[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc12 |&1:5,8,r,t:14|" SXJDCULZDFWMJC-AAEUAGOBSA-N 6976314 BRD-K68091065-001-05-9 halazone 0 0 Sigma MFCD00045858 "p-(N,N-Dichlorosulfamyl)benzoic acid" 268.932 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl XPDVQPODLRGWPL-UHFFFAOYSA-N 3552 BRD-K68091065-001-04-7 halazone 0 0 MicroSource 1500324 HALAZONE 268.932 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl XPDVQPODLRGWPL-UHFFFAOYSA-N 3552 BRD-K81709173-001-11-9 halcinonide 0 83.69 MedChemEx HY-B0877 Halcinonide 454.192 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl |t:10| MUQNGPZZQDCDFT-JNQJZLCISA-N 443943 BRD-K81709173-001-09-5 halcinonide 0 93.96 Selleck S4098 Halcinonide 454.192 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl |t:10| MUQNGPZZQDCDFT-JNQJZLCISA-N 443943 BRD-K64408465-001-01-9 BRD-K81709173-001-10-3 halcinonide 0 91.01 Selleck S4098 HALCINONIDE 454.192 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl |t:10| MUQNGPZZQDCDFT-JNQJZLCISA-N 443943 BRD-K71487404-001-01-8 halobetasol-propionate 0 88.69 Selleck S4089 Halobetasol Propionate 484.183 "CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:18,t:14|" BDSYKGHYMJNPAB-LICBFIPMSA-N 6918178 BRD-A51964809-003-12-6 halofantrine 0 89.55 Enzo AC2004 Halofantrine HCl 499.166 CCCCN(CCCC)CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F |&1:11| FOHHNHSLJDZUGQ-RUZDIDTESA-N 36688213 BRD-A51964809-003-13-9 halofantrine 0 98.32 MedChemEx HY-A0148A Halofantrine hydrochloride 499.166 CCCCN(CCCC)CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F |&1:11| FOHHNHSLJDZUGQ-RUZDIDTESA-N 36688213 BRD-K54247840-004-01-3 halofuginone 0 95.58 EMDBio 505763-10MG "ProRS Inhibitor, Halofuginone" 413.014 O[C@H]1CCCN[C@@H]1CC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O LVASCWIMLIKXLA-CABCVRRESA-N 456390 BRD-K50055394-001-03-6 halopemide 0 97.2 Sigma H3041 "N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]ethyl}-4-fluorobenzamide" 416.142 Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O NBHPRWLFLUBAIE-UHFFFAOYSA-N 65490 BRD-K67783091-003-07-7 haloperidol 0 98.55 Tocris 931 Haloperidol hydrochloride 375.14 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 LNEPOXFFQSENCJ-UHFFFAOYSA-N 3559 BRD-K67783091-001-25-3 haloperidol 0 95.38 Selleck S1920 Haloperidol 375.14 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 LNEPOXFFQSENCJ-UHFFFAOYSA-N 3559 BRD-K67783091-001-26-1 haloperidol 0 99.67 MicroSource 1500325 HALOPERIDOL 375.14 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 LNEPOXFFQSENCJ-UHFFFAOYSA-N 3559 BRD-K80859331-001-01-5 haloperidol-decanoate 0 99.05 Key KS-1419 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate 529.276 CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 GUTXTARXLVFHDK-UHFFFAOYSA-N 52919 BRD-K13238168-001-02-0 haloprogin 0 98.19 Prestwick Prestw-1269 Haloprogin 359.837 Clc1cc(Cl)c(OCC#CI)cc1Cl CTETYYAZBPJBHE-UHFFFAOYSA-N 3561 BRD-K13238168-001-03-9 haloprogin 0 WuXi EW21509-8-P1 Haloprogin 359.837 Clc1cc(Cl)c(OCC#CI)cc1Cl CTETYYAZBPJBHE-UHFFFAOYSA-N 3561 BRD-A20550616-001-02-9 halothane 1 0 MicroSource 1505434 HALOTHANE 195.89 "FC(F)(F)[C@@H](Cl)Br |&1:4,r|" BCQZXOMGPXTTIC-PVQJCKRUSA-N 4369439 BRD-A20550616-001-03-7 halothane 1 0 MedChemEx HY-B1010 Halothane 195.89 "FC(F)(F)[C@@H](Cl)Br |&1:4,r|" BCQZXOMGPXTTIC-PVQJCKRUSA-N 4369439 BRD-K12630395-001-14-9 harmane 0 97.3 Tocris 1132 Harmane hydrochloride 182.084 Cc1nccc2c3ccccc3[nH]c12 PSFDQSOCUJVVGF-UHFFFAOYSA-N 5281404 BRD-K00003715-001-01-9 harringtonine 0 79.53 MedChemEx HY-N0862 Harringtonine 531.247 [H][C@@]12[C@H](OC(=O)[C@@](O)(CCC(C)(C)O)CC(=O)OC)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21 |c:21| HAVJATCHLFRDHY-KSZYUSJVSA-N 276389 BRD-K00004555-001-01-9 HBED 0 77.96 Sigma MFCD01311876 [{2-[(carboxymethyl)(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid 388.163 OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc1ccccc1O GRUVVLWKPGIYEG-UHFFFAOYSA-N 37336 BRD-K73815512-001-03-9 HC-030031 0 88.94 Tocris 2896 HC 030031 355.164 CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 HEQDZPHDVAOBLN-UHFFFAOYSA-N 1150897 BRD-K73815512-001-02-5 HC-030031 0 98.73 Selleck S2918 HC-030031 355.164 CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 HEQDZPHDVAOBLN-UHFFFAOYSA-N 1150897 BRD-K03391209-001-02-0 HC-067047 0 93.91 Tocris 4100 HC 067047 471.213 Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F NCZYSQOTAYFTNM-UHFFFAOYSA-N 2742550 BRD-K03391209-001-01-2 HC-067047 0 99.51 Tocris 4100 HC-067047 471.213 Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F NCZYSQOTAYFTNM-UHFFFAOYSA-N 2742550 BRD-K00004601-001-01-9 HC-070 0 96.18 MedChemEx HY-112302 HC-070 474.086 Cn1c2nc(Oc3cccc(Cl)c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O VYJPVPHNGWEIBT-UHFFFAOYSA-N 85473309 BRD-K49788188-001-01-0 heclin 0 91.97 Tocris 5433 Heclin 283.121 CCc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(C)=O)o1 SPTWXRJNCFIDRQ-ZHACJKMWSA-N 7464118 BRD-K49788188-001-02-9 heclin 0 92.9 Tocris 5433 Heclin 283.121 CCc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(C)=O)o1 SPTWXRJNCFIDRQ-ZHACJKMWSA-N 7464118 BRD-K34672903-001-02-5 HEMADO 0 96.56 Tocris 1579 HEMADO 361.175 CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 KOCIMZNSNPOGOP-IWCJZZDYSA-N 10981286 BRD-K34672903-001-03-9 HEMADO 0 87.66 Tocris 1579 HEMADO 361.175 CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 KOCIMZNSNPOGOP-IWCJZZDYSA-N 10981286 BRD-K34672903-001-01-7 HEMADO 0 95.63 Tocris 1579 HEMADO 361.175 CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 KOCIMZNSNPOGOP-IWCJZZDYSA-N 10981286 BRD-K01825010-001-02-9 hematoporphyrin 0 16.61 Sigma MFCD00005077 "3,3'-(7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropionic acid" 598.279 "C[C@@H](O)c1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5[C@@H](C)O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C |&1:25,&2:1,r|" DWZDGMDDUHAIQA-XEAGYAAOSA-N BRD-K78342372-001-03-2 hematoxylin 0 94.58 Selleck S2384 Hematoxylin (Hydroxybrazilin) 302.079 Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O WZUVPPKBWHMQCE-XJKSGUPXSA-N 442514 BRD-K78342372-001-02-4 hematoxylin 0 87.91 Selleck S2384 Hematoxylin 302.079 Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O WZUVPPKBWHMQCE-XJKSGUPXSA-N 442514 BRD-K74057164-001-01-6 hemin 0 85.19 Sigma H3281-1G Hematin porcine 633.18 "CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C=C)c(C)\c(=C\C1=N2)n6[Fe](O)n34)C(C)=C5C=C |c:1,20,34,45,t:8,22,24,31|" BMUDPLZKKRQECS-HXFTUNQESA-K BRD-K15231341-001-02-9 hemomex-s 0 73.68 MedChemEx HY-N0835 (20S)-Protopanaxatriol 476.387 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C SHCBCKBYTHZQGZ-CJPZEJHVSA-N 11468733 BRD-K15231341-001-01-5 hemomex-s 0 90.75 MedChemEx HY-N0835 (20S)-Protopanaxatriol 476.387 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C SHCBCKBYTHZQGZ-CJPZEJHVSA-N 11468733 BRD-K00004739-001-01-9 hepsulfam 0 85.4 MedChemEx HY-U00095 Hepsulfam 290.061 NS(=O)(=O)OCCCCCCCOS(N)(=O)=O GOJJWDOZNKBUSR-UHFFFAOYSA-N 100606 BRD-A32988684-003-08-7 heptaminol 0 100 MicroSource 1503218 HEPTAMINOL HYDROCHLORIDE 145.147 C[C@@H](N)CCCC(C)(C)O |&1:1| LREQLEBVOXIEOM-SSDOTTSWSA-N 7033975 BRD-A32988684-003-09-9 heptaminol 0 100 MedChemEx HY-B1231 Heptaminol (hydrochloride) 145.147 C[C@@H](N)CCCC(C)(C)O |&1:1| LREQLEBVOXIEOM-SSDOTTSWSA-N 7033975 BRD-K89709433-001-03-9 HER2-Inhibitor-1 0 92.93 MedChemEx HY-10531 ARRY-380 (analog ) 569.185 Cc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1Oc1ccn2ncnc2c1 QVMNYGOVNWWFKF-UHFFFAOYSA-N 42598643 BRD-K89709433-001-02-8 HER2-Inhibitor-1 0 62.06 Selleck S2752 HER2-Inhibitor-1 569.185 Cc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1Oc1ccn2ncnc2c1 QVMNYGOVNWWFKF-UHFFFAOYSA-N 42598643 BRD-K58122457-001-02-2 hesperadin 0 96.66 Selleck S1529 Hesperadin 516.22 CCS(=O)(=O)Nc1ccc2NC(=O)\C(=C(/Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 GLDSKRNGVVYJAB-DQSJHHFOSA-N BRD-K58122457-003-01-0 hesperadin 0 96.52 Tocris 3988 Hesperadin hydrochloride 516.22 CCS(=O)(=O)Nc1ccc2NC(=O)\C(=C(/Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 GLDSKRNGVVYJAB-DQSJHHFOSA-N BRD-K58122457-003-03-9 hesperadin 0 78.95 Tocris 3988 Hesperadin hydrochloride 516.22 CCS(=O)(=O)Nc1ccc2NC(=O)\C(=C(/Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 GLDSKRNGVVYJAB-DQSJHHFOSA-N BRD-K30553453-001-14-9 hesperetin 0 97.23 MedChemEx HY-N0168 Hesperetin 302.079 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 AIONOLUJZLIMTK-AWEZNQCLSA-N 72281 BRD-K30553453-001-13-2 hesperetin 0 98.16 Selleck S2308 Hesperetin 302.079 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 AIONOLUJZLIMTK-AWEZNQCLSA-N 72281 BRD-K38903228-001-11-9 hesperidin 0 0 Selleck S2323 Methyl-Hesperidin 610.19 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 QUQPHWDTPGMPEX-QJBIFVCTSA-N 10621 BRD-K43382661-001-02-2|BRD-M12718521-001-02-2 BRD-K38903228-001-13-5 hesperidin 0 90.93 Selleck S2309 Hesperidin 610.19 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 QUQPHWDTPGMPEX-QJBIFVCTSA-N 10621 BRD-K53229386-001-04-2|BRD-K93633846-001-01-7 BRD-K38903228-001-12-7 hesperidin 0 0 Selleck S2323 Methyl-Hesperidin 610.19 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 QUQPHWDTPGMPEX-QJBIFVCTSA-N 10621 BRD-K43382661-001-01-4|BRD-M45990714-001-01-7 BRD-K38903228-001-14-9 hesperidin 0 91.49 MedChemEx HY-15337 Hesperidin 610.19 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 QUQPHWDTPGMPEX-QJBIFVCTSA-N 10621 BRD-K00005353-001-01-9 hetacillin 0 62.75 Toronto h289570 hetacillin 389.141 CC1(C)S[C@@H]2[C@H](N3C(=O)[C@H](NC3(C)C)c3ccccc3)C(=O)N2[C@H]1C(O)=O DXVUYOAEDJXBPY-NFFDBFGFSA-N 443387 BRD-K99792991-001-34-9 hexachlorophene 0 98.49 MicroSource 1500328 HEXACHLOROPHENE 403.85 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl ACGUYXCXAPNIKK-UHFFFAOYSA-N 3598 BRD-K99792991-001-36-9 hexachlorophene 0 97.85 MedChemEx HY-12637 Hexachlorophene 403.85 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl ACGUYXCXAPNIKK-UHFFFAOYSA-N 3598 BRD-K10598093-303-08-9 hexamethonium 0 89.6 MedChemEx HY-B0569 Hexamethonium (Bromide) 202.241 C[N+](C)(C)CCCCCC[N+](C)(C)C VZJFGSRCJCXDSG-UHFFFAOYSA-N 3604 BRD-K10598093-303-06-1 hexamethonium 0 79 MicroSource 1503297 HEXAMETHONIUM BROMIDE 202.241 C[N+](C)(C)CCCCCC[N+](C)(C)C VZJFGSRCJCXDSG-UHFFFAOYSA-N 3604 BRD-K10598093-303-05-3 hexamethonium 0 78.12 Selleck S4069 Hexamethonium bromide 202.241 C[N+](C)(C)CCCCCC[N+](C)(C)C VZJFGSRCJCXDSG-UHFFFAOYSA-N 3604 BRD-K10598093-303-07-9 hexamethonium 0 100 Selleck S4069 Hexamethonium Bromide 202.241 C[N+](C)(C)CCCCCC[N+](C)(C)C VZJFGSRCJCXDSG-UHFFFAOYSA-N 3604 BRD-K04710043-001-17-8 hexamethylenebisacetamide 0 87.14 Sigma MFCD00008684 N-[6-(acetylamino)hexyl]acetamide 200.152 CC(=O)NCCCCCCNC(C)=O BNQSTAOJRULKNX-UHFFFAOYSA-N 3616 BRD-K73753850-003-01-6 hexaminolevulinate 0 100 MedChemEx HY-16045 Hexaminolevulinate (hydrochloride) 215.152 CCCCCCOC(=O)CCC(=O)CN RYQOILLJDKPETL-UHFFFAOYSA-N 6433083 BRD-K70007857-001-01-7 hexasodium-phytate 0 0 TCI P0409 659.861 OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O IMQLKJBTEOYOSI-GPIVLXJGSA-N BRD-K69253806-001-02-0 hexestrol 0 79.91 Selleck S2473 Hexestrol 270.162 CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1 PBBGSZCBWVPOOL-HDICACEKSA-N 192197 BRD-K69253806-001-03-8 hexestrol 0 90.48 Selleck S2473 Hexestrol (Bibenzyl) 270.162 CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1 PBBGSZCBWVPOOL-HDICACEKSA-N 192197 BRD-K69253806-001-05-3 hexestrol 0 96.98 Selleck S2473 HEXESTROL 270.162 CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1 PBBGSZCBWVPOOL-HDICACEKSA-N 192197 BRD-A18605525-001-12-4 hexetidine 0 25.25 MicroSource 1500633 HEXETIDINE 339.361 "CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)C[C@](C)(N)C1 |&1:12,&2:4,&3:20,r|" DTOUUUZOYKYHEP-AERCQKQUSA-N BRD-A18605525-001-13-2 hexetidine 0 2.74 MedChemEx HY-B0996 Hexetidine 339.361 "CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)C[C@](C)(N)C1 |&1:12,&2:4,&3:20,r|" DTOUUUZOYKYHEP-AERCQKQUSA-N BRD-A18605525-001-14-0 hexetidine 0 0 MedChemEx HY-B0996 Hexetidine 339.361 "CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)C[C@](C)(N)C1 |&1:12,&2:4,&3:20,r|" DTOUUUZOYKYHEP-AERCQKQUSA-N BRD-A63267145-001-01-0 hexonic-acid 0 90.83 Sigma MFCD00067379 196.058 "OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O |&1:2,&2:4,&3:6,&4:8,r|" RGHNJXZEOKUKBD-TXICZTDVSA-N 5311443 BRD-M98748937-001-01-6 BRD-A63267145-001-02-9 hexonic-acid 0 100 AMS A000002878 hexonic acid 196.058 "OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O |&1:2,&2:4,&3:6,&4:8,r|" RGHNJXZEOKUKBD-TXICZTDVSA-N 5311443 BRD-A33894669-065-01-9 hexoprenaline 0 79.95 Carbosynth HEXOPRENALINE SULPHATE "sulfuric acid compound with 4-{2-[(6-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}hexyl)amino]-1-hydroxyethyl}-1,2-benzenediol (1:1)" 420.226 "O[C@@H](CNCCCCCCNC[C@@H](O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |&1:1,&2:12|" OXLZNBCNGJWPRV-SZPZYZBQSA-N 24993924 BRD-A97730597-003-11-5 hexylcaine 0 96.16 Prestwick Prestw-788 Hexylcaine hydrochloride 261.173 C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1 |&1:1| DKLKMKYDWHYZTD-ZDUSSCGKSA-N 6604266 BRD-A97730597-003-12-9 hexylcaine 0 88.49 Toronto h295690 hexylcaine hydrochloride 261.173 C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1 |&1:1| DKLKMKYDWHYZTD-ZDUSSCGKSA-N 6604266 BRD-A14234430-001-01-4 hexylene-glycol 0 15.17 MicroSource 1506161 HEXYLENE GLYCOL 118.099 "C[C@@H](O)CC(C)(C)O |&1:1,r|" SVTBMSDMJJWYQN-RXMQYKEDSA-N 5288845 BRD-A14234430-001-02-9 hexylene-glycol 0 0 MedChemEx HY-B0903 Hexylene glycol 118.099 "C[C@@H](O)CC(C)(C)O |&1:1,r|" SVTBMSDMJJWYQN-RXMQYKEDSA-N 5288845 BRD-K99946902-001-09-9 hexylresorcinol 0 97.28 MedChemEx HY-B0986 Hexylresorcinol 194.131 CCCCCCc1ccc(O)cc1O WFJIVOKAWHGMBH-UHFFFAOYSA-N 3610 BRD-K99946902-001-07-5 hexylresorcinol 0 98.8 MicroSource 1500330 HEXYLRESORCINOL 194.131 CCCCCCc1ccc(O)cc1O WFJIVOKAWHGMBH-UHFFFAOYSA-N 3610 BRD-A55204514-003-01-2 higenamine 0 94.65 Accela SY029900 "1-(4-hydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol hydrochloride" 271.121 Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |&1:6| WZRCQWQRFZITDX-CQSZACIVSA-N 440988 BRD-K62914667-001-13-9 hippuric-acid 0 97.62 CombiBlocks QE-9843 (benzoylamino)acetic acid 179.058 OC(=O)CNC(=O)c1ccccc1 QIAFMBKCNZACKA-UHFFFAOYSA-N 464 BRD-K01674964-300-10-5 histamine 0 80.8 Tocris 3545 Histamine dihydrochloride 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-K01674964-300-07-1 histamine 0 96.86 Tocris 3545 Histamine dihydrochloride 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-K01674964-001-19-0 histamine 0 0 Selleck S4117 Histamine Phosphate 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-U61402069-000-01-5 BRD-K01674964-300-08-9 histamine 0 99.36 MicroSource 1500331 HISTAMINE DIHYDROCHLORIDE 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-K01674964-316-01-0 histamine 0 0 Selleck S4117 Histamine Phosphate 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-K01674964-300-06-3 histamine 0 100 Selleck S4118 Histamine 2HCl 111.08 NCCc1cnc[nH]1 NTYJJOPFIAHURM-UHFFFAOYSA-N 774 BRD-K34411045-001-02-9 HJC-0350 0 94.55 Tocris 4844 HJC 0350 277.114 Cc1cc(C)n(c1)S(=O)(=O)c1c(C)cc(C)cc1C AFZWZVLPIMHLSE-UHFFFAOYSA-N 22200891 BRD-K34411045-001-01-9 HJC-0350 0 95.86 Tocris 4844 HJC 0350 277.114 Cc1cc(C)n(c1)S(=O)(=O)c1c(C)cc(C)cc1C AFZWZVLPIMHLSE-UHFFFAOYSA-N 22200891 BRD-K58811567-001-01-9 HKI-357 0 98.23 Tocris 3580 (E)-N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide 573.194 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C NERXPXBELDBEPZ-RMKNXTFCSA-N 11238512 BRD-K58811567-001-02-7 HKI-357 0 91.15 Tocris 3580 HKI 357 573.194 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C NERXPXBELDBEPZ-RMKNXTFCSA-N 11238512 BRD-K73746696-003-01-8 HLCL-61 0 95.64 MedChemEx HY-100025A HLCL-61 (hydrochloride) 344.189 CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc12 FIOIJUCPVZEPFX-UHFFFAOYSA-N 2250650 BRD-K74319597-001-02-9 HM-30181 0 51.49 MedChemEx HY-13646 Encequidar 688.265 COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC AHJUHHDDCJQACA-UHFFFAOYSA-N 11399764 BRD-K70511574-001-06-9 HMN-214 0 90.91 Selleck S1485 HMN-214 424.109 COc1ccc(cc1)S(=O)(=O)N(C(C)=O)c1ccccc1\C=C\c1cc[n+]([O-])cc1 OCKHRKSTDPOHEN-BQYQJAHWSA-N 9888590 BRD-K00003598-001-01-9 HOKU-81 0 95.17 MedChemEx HY-50291 HOKU-81 243.103 CC(C)(C)NC[C@H](O)c1ccc(O)cc1Cl |r| LIXBJWRFCNRAPA-NSHDSACASA-N 3045414 BRD-K01826529-004-11-9 homatropine 0 87.22 MedChemEx HY-B0547A Homatropine (Bromide) 275.152 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](O)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" ZTVIKZXZYLEVOL-YJNKXOJESA-N BRD-K01826529-004-10-9 homatropine 0 93.54 MicroSource 1500332 HOMATROPINE HYDROBROMIDE 355.078 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](O)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" ZTVIKZXZYLEVOL-YJNKXOJESA-N BRD-A09539288-004-04-4 BRD-K01826529-004-09-9 homatropine 0 90.73 Selleck S4025 Homatropine Bromide 355.078 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](O)c1ccccc1 |a:2,5,7,&1:12,THB:9:7:1:3.4|" ZTVIKZXZYLEVOL-YJNKXOJESA-N BRD-A35196708-004-01-9 BRD-A54234250-004-02-9 homatropine-methylbromide 0 97.64 MedChemEx HY-B1388 Homatropine methylbromide 290.176 "C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](O)c1ccccc1 |a:3,6,8,&1:13,THB:10:8:1:4.5|" WKWOJBUWWZTUQV-JJXSEGSLSA-N BRD-K28354016-004-11-7 homidium 0 69.09 MicroSource 1503806 HOMIDIUM BROMIDE 314.166 CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 QTANTQQOYSUMLC-UHFFFAOYSA-O 3624 BRD-K28354016-001-12-9 homidium 0 91.36 AMS A001466636 "3,8-diamino-5-ethyl-6-phenylphenanthridinium" 314.166 CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 QTANTQQOYSUMLC-UHFFFAOYSA-O 3624 BRD-K01826562-001-15-9 homochlorcyclizine 0 WuXi EW21509-14-P1 Homochlorcyclizine 314.155 CN1CCCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:8| WEUCDJCFJHYFRL-IBGZPJMESA-N 5393145 BRD-K76674262-001-03-3 homoharringtonine 0 87.85 Tocris 1416 Homoharringtonine 545.262 COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC |c:39| HYFHYPWGAURHIV-JFIAXGOJSA-N 285033 BRD-K76674262-001-05-9 homoharringtonine 0 93.79 Tocris 1416 Homoharringtonine 545.262 COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC |c:39| HYFHYPWGAURHIV-JFIAXGOJSA-N 285033 BRD-K30519779-001-03-1 homoquinolinic-acid 0 100 Tocris 197 Homoquinolinic acid 181.038 OC(=O)Cc1cccnc1C(O)=O HQPMJFFEXJELOQ-UHFFFAOYSA-N 3080554 BRD-K30519779-001-04-9 homoquinolinic-acid 0 67.7 Tocris 197 Homoquinolinic acid 181.038 OC(=O)Cc1cccnc1C(O)=O HQPMJFFEXJELOQ-UHFFFAOYSA-N 3080554 BRD-A34751532-001-06-9 homosalate 0 85.67 MicroSource 1505020 HOMOSALATE 262.157 "C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)c1ccccc1O |&1:1,&2:3,r|" WSSJONWNBBTCMG-RYUDHWBXSA-N 41097438 BRD-A34751532-001-07-9 homosalate 0 66.95 MedChemEx HY-B0928 Homosalate 262.157 "C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)c1ccccc1O |&1:1,&2:3,r|" WSSJONWNBBTCMG-RYUDHWBXSA-N 41097438 BRD-K59570838-001-09-9 homoveratrylamine 0 77.78 MedChemEx HY-Y0935 "2-(3,4-Dimethoxyphenyl)ethan-1-amine" 181.11 COc1ccc(CCN)cc1OC ANOUKFYBOAKOIR-UHFFFAOYSA-N 8421 BRD-K59570838-003-01-9 homoveratrylamine 0 66.18 Prestwick Prestw-1787 Homoveratrylamine 181.11 COc1ccc(CCN)cc1OC ANOUKFYBOAKOIR-UHFFFAOYSA-N 8421 BRD-K98493452-001-15-9 honokiol 0 80.09 Tocris 4590 Honokiol 266.131 Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O FVYXIJYOAGAUQK-UHFFFAOYSA-N 72303 BRD-K98493452-001-14-9 honokiol 0 97.8 Selleck S2310 Honokiol 266.131 Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O FVYXIJYOAGAUQK-UHFFFAOYSA-N 72303 BRD-K93631643-001-03-2 hordenine 0 88.33 Selleck S2385 Hordenine 165.115 CN(C)CCc1ccc(O)cc1 KUBCEEMXQZUPDQ-UHFFFAOYSA-N 68313 BRD-K93631643-001-02-4 hordenine 0 83.98 Selleck S2385 Hordenine 165.115 CN(C)CCc1ccc(O)cc1 KUBCEEMXQZUPDQ-UHFFFAOYSA-N 68313 BRD-K00004723-001-01-9 HP-228 0 95.69 ChemImpex 32990 "Acetyl-(Nle4,Gln5,D-Phe7,D-Trp9)-alpha-MSH (4-10) amide trifluoroacetate salt" 983.509 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O UHKZNDVUBSEJJO-XAYNKGEHSA-N 9876430 BRD-K00003140-001-01-9 hPGDS-IN-1 0 98.83 MedChemEx HY-12791 hPGDS-IN-1 416.16 CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccn2)c1 VJCLAPUACUQZOV-UHFFFAOYSA-N 46700750 BRD-K00003730-001-01-9 HPPH 0 95.16 MedChemEx HY-13722 HPPH 636.368 CCCCCCO[C@H](C)c1c(C)c2cc3nc([C@@H](CCC(O)=O)[C@@H]3C)c3CC(=O)c4c(C)c(cc5nc(cc1[nH]2)c(C)c5CC)[nH]c34 |&1:7| PVXGCBZIVFCMJK-AUSGGWNYSA-N BRD-K44963273-001-07-7 HQK-1001 1 0 Enamine Z995036360 "2,2-dimethylbutanoic acid" 116.084 CCC(C)(C)C(O)=O VUAXHMVRKOTJKP-UHFFFAOYSA-N 11684 BRD-K44963273-001-06-9 HQK-1001 1 0 Enamine Z995036360 116.084 CCC(C)(C)C(O)=O VUAXHMVRKOTJKP-UHFFFAOYSA-N 11684 BRD-K00004745-001-01-9 HSR6071 0 96.28 MedChemEx HY-U00133 HSR6071 260.113 O=C(Nc1nnn[nH]1)c1cncc(n1)N1CCCC1 LUJDHCXCWJFNOJ-UHFFFAOYSA-N 159466 BRD-K00003386-001-01-9 HT-2157 0 51.12 MedChemEx HY-100717 HT-2157 366.098 FC(F)(F)c1cccc(c1)\N=C1/C(=O)N(c2ccccc12)c1ccccc1 TXCGMRVPXUBHAL-PLRJNAJWSA-N BRD-K58726989-001-01-9 HTH-01-015 0 86.89 Tocris 5622 HTH 01-015 468.239 CN1c2cc3ccccc3cc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12 CHSDJDLAKKAWCI-UHFFFAOYSA-N 78357766 BRD-K58726989-001-02-7 HTH-01-015 0 90.24 ApexBio A8890 HTH-01-015 468.239 CN1c2cc3ccccc3cc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12 CHSDJDLAKKAWCI-UHFFFAOYSA-N 78357766 BRD-K00003389-001-01-9 HTHQ 0 91.66 MedChemEx HY-100768 HTHQ 236.178 CCCCCCOc1cc(C)c(O)c(C)c1C ATMNQRRJNBCQJO-UHFFFAOYSA-N 119193 BRD-K01825665-332-02-9 HTMT 0 86.57 Tocris 646 (2Z)-2-butenedioic acid compound with 6-{[2-(1H-imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide (2:1) 614.22 C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc1cnc[nH]1 |&1:1| PMKJGGBYYNEYPA-AWEZNQCLSA-N 6604743 BRD-K01825665-332-01-9 HTMT 0 77.76 Tocris 646 HTMT dimaleate 614.22 C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc1cnc[nH]1 |&1:1| PMKJGGBYYNEYPA-AWEZNQCLSA-N 6604743 BRD-K62240499-001-05-9 huperzine-A 0 86.35 MedChemEx HY-17387 (-)-Huperzine A 242.142 C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |c:18| ZRJBHWIHUMBLCN-YQEJDHNASA-N 854026 BRD-K45888792-001-03-6 BRD-K62240499-001-04-2 huperzine-A 0 30.08 Selleck S2251 (-)-Huperzine A 242.142 C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |c:18| ZRJBHWIHUMBLCN-YQEJDHNASA-N 854026 BRD-K97618845-001-03-1 BRD-K62240499-001-06-7 huperzine-A 0 17.37 Selleck S2251 (-)-Huperzine A (HupA) 242.142 C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |c:18| ZRJBHWIHUMBLCN-YQEJDHNASA-N 854026 BRD-K45888792-001-02-8 BRD-K59788572-236-01-3 hyaluronic-acid 0 0 Sigma MFCD00875848 "sodium (2S,3S,4R,5R,6R)-3-((2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4,5,6-trihydroxytetra hydro-2H-pyran-2-carboxylate" 381.127 CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O WCDDVEOXEIYWFB-VXORFPGASA-N 6852395 BRD-K50406511-001-26-0 hycanthone 0 88.6 MicroSource 1503239 HYCANTHONE 356.156 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 MFZWMTSUNYWVBU-UHFFFAOYSA-N 3634 BRD-K82103381-003-07-8 hydralazine 0 0 MicroSource 1500334 HYDRALAZINE HYDROCHLORIDE 160.075 NNc1nncc2ccccc12 RPTUSVTUFVMDQK-UHFFFAOYSA-N 9351 BRD-K82103381-003-09-4 hydralazine 0 87.04 MedChemEx HY-B0464 Hydralazine (hydrochloride) 160.075 NNc1nncc2ccccc12 RPTUSVTUFVMDQK-UHFFFAOYSA-N 9351 BRD-K82103381-003-06-0 hydralazine 0 0 Selleck S2562 Hydralazine HCl 160.075 N\N=c1/[nH]ncc2ccccc12 RPTUSVTUFVMDQK-UHFFFAOYSA-N 9351 BRD-K82103381-003-08-6 hydralazine 0 27.81 Selleck S2562 Hydralazine hydrochloride 160.075 N\N=c1/[nH]ncc2ccccc12 RPTUSVTUFVMDQK-UHFFFAOYSA-N 9351 BRD-K02715688-001-09-9 "hydrastine-(1R,9S)" 0 98.68 MedChemEx HY-B0927 Hydrastine 383.137 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3cc12 JZUTXVTYJDCMDU-MOPGFXCFSA-N 197835 BRD-K02715688-001-02-1 "hydrastine-(1R,9S)" 0 99.03 MicroSource 1500687 "HYDRASTINE (1R, 9S)" 383.137 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3cc12 JZUTXVTYJDCMDU-MOPGFXCFSA-N 197835 BRD-K92726801-311-01-6 hydrastinine 0 83.97 Sigma S438308-10MG Hydrastinine chloride monohydrate 190.087 C[N+]1=Cc2cc3OCOc3cc2CC1 |t:1| LGDCROILDUSHQX-UHFFFAOYSA-N 3397945 BRD-K13078532-001-27-6 hydrochlorothiazide 0 96.81 Selleck S1708 Hydrochlorothiazide 296.964 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl JZUFKLXOESDKRF-UHFFFAOYSA-N 3639 BRD-K13078532-001-28-4 hydrochlorothiazide 0 98.34 MicroSource 1500335 HYDROCHLOROTHIAZIDE 296.964 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl JZUFKLXOESDKRF-UHFFFAOYSA-N 3639 BRD-K93568044-001-30-4 hydrocortisone 0 74.63 Tocris 4093 Hydrocortisone 362.209 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9| JYGXADMDTFJGBT-VWUMJDOOSA-N 5754 BRD-K93568044-001-32-0 hydrocortisone 0 97.33 MicroSource 300024 HYDROCORTISONE 362.209 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9| JYGXADMDTFJGBT-VWUMJDOOSA-N 5754 BRD-A75172220-001-04-0 BRD-K93568044-001-31-2 hydrocortisone 0 92.6 Selleck S1696 Hydrocortisone 362.209 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9| JYGXADMDTFJGBT-VWUMJDOOSA-N 5754 BRD-K97571677-001-01-9 BRD-K93568044-001-33-9 hydrocortisone 0 79 Tocris 4093 Hydrocortisone 362.209 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9| JYGXADMDTFJGBT-VWUMJDOOSA-N 5754 BRD-K11612998-001-26-9 hydrocortisone-acetate 0 92.06 MedChemEx HY-B1183 Hydrocortisone acetate 404.22 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |t:15| ALEXXDVDDISNDU-JZYPGELDSA-N 5744 BRD-K99199077-001-17-9 hydrocortisone-butyrate 0 0 MicroSource 1503273 HYDROCORTISONE BUTYRATE 432.251 CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |t:13| BMCQMVFGOVHVNG-TUFAYURCSA-N 26133 BRD-A34508879-001-04-9 BRD-K99199077-001-16-1 hydrocortisone-butyrate 0 85.87 Sigma MFCD00083364 "(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butyrate" 432.251 CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |t:13| BMCQMVFGOVHVNG-TUFAYURCSA-N 26133 BRD-K00025601-002-01-9 hydrocortisone-hemisuccinate 0 93.51 Sigma PHR1926-500MG 462.225 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O |t:9| VWQWXZAWFPZJDA-CGVGKPPMSA-N 16623 BRD-K01824977-369-02-9 hydrocortisone-phosphate 0 79.61 MicroSource 1500340 HYDROCORTISONE PHOSPHATE TRIETHYLAMINE 644.417 "C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(O)(O)=O |a:3,20,&1:1,&2:5,&3:6,&4:15,&5:17,t:9|" BGSOJVFOEQLVMH-SBXZOHCASA-N BRD-K09968782-001-17-2 hydrocortisone-valerate 0 90.33 USP 1321004 Hydrocortisone valerate 446.267 CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |t:14| FZCHYNWYXKICIO-FZNHGJLXSA-N 5282494 BRD-K36862742-001-27-9 hydroflumethiazide 0 95.5 Sigma H8760 Hydroflumethiazide 330.991 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F DMDGGSIALPNSEE-UHFFFAOYSA-N 3647 BRD-K36862742-001-25-6 hydroflumethiazide 0 97.64 MicroSource 1500341 HYDROFLUMETHIAZIDE 330.991 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F DMDGGSIALPNSEE-UHFFFAOYSA-N 3647 BRD-K65866076-001-03-9 hydroquinidine 0 85.02 MedChemEx HY-B0997 Hydroquinidine 326.199 CC[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 LJOQGZACKSYWCH-LHHVKLHASA-N 91503 BRD-K11227669-001-07-8 hydroquinone 0 49.83 MicroSource 1504237 HYDROQUINONE 110.037 Oc1ccc(O)cc1 QIGBRXMKCJKVMJ-UHFFFAOYSA-N 785 BRD-K11227669-001-08-6 hydroquinone 0 0 MedChemEx HY-B0951 Hydroquinone 110.037 Oc1ccc(O)cc1 QIGBRXMKCJKVMJ-UHFFFAOYSA-N 785 BRD-K00003525-003-01-9 hydroxocobalamin 0 59.19 MedChemEx HY-B2209A Hydroxocobalamin hydrochloride 1346.575 "[H]O[Co+]N1\C2=C(C)/C3=N/C(=C/C4=N/C(=C(C)\C5=N[C@@](C)([C@@]1([H])[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)/[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)/C(C)(C)[C@@H]3CCC(N)=O |r,t:4,7,9,11,13,16|" YOZNUFWCRFCGIH-WZHZPDAFSA-L 139031134 BRD-A80871782-004-06-9 hydroxyamphetamine 0 97.66 MicroSource 211425 HYDROXYAMPHETAMINE HYDROBROMIDE 151.1 C[C@@H](N)Cc1ccc(O)cc1 |&1:1| GIKNHHRFLCDOEU-SSDOTTSWSA-N 12234986 BRD-A80871782-001-07-9 hydroxyamphetamine 0 100 Enamine EN300-53926 4-(2-aminopropyl)phenol 151.1 C[C@@H](N)Cc1ccc(O)cc1 |&1:1| GIKNHHRFLCDOEU-SSDOTTSWSA-N 12234986 BRD-A99117172-065-04-0 hydroxychloroquine 0 76.17 MicroSource 1503978 HYDROXYCHLOROQUINE SULFATE 335.176 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 XXSMGPRMXLTPCZ-UHFFFAOYSA-N 12947 BRD-A99117172-065-05-7 hydroxychloroquine 0 98.39 Sigma MFCD00078203 sulfuric acid compound with 2-[{4-[(7-chloro-4-quinolinyl)amino]pentyl}(ethyl)amino]ethanol (1:1) 335.176 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 XXSMGPRMXLTPCZ-UHFFFAOYSA-N 12947 BRD-K77793136-003-03-0 hydroxyfasudil 0 97.11 Tocris 2415 HA 1100 hydrochloride 307.099 O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 ZAVGJDAFCZAWSZ-UHFFFAOYSA-N 3064778 BRD-K77793136-003-05-9 hydroxyfasudil 0 95.08 Tocris 2415 HA 1100 hydrochloride 307.099 O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1 ZAVGJDAFCZAWSZ-UHFFFAOYSA-N 3064778 BRD-K44932450-001-16-8 hydroxyprogesterone 0 89.44 TCI H1250 17alpha-Hydroxyprogesterone 330.219 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:11| DBPWSSGDRRHUNT-CEGNMAFCSA-N 6238 BRD-K44932450-001-17-9 hydroxyprogesterone 0 WuXi EW21509-5-P1 17?-Hydroxyprogesterone 330.219 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:11| DBPWSSGDRRHUNT-CEGNMAFCSA-N 6238 BRD-K92902018-001-01-9 hydroxyprogesterone-acetate 0 94 Sigma MFCD00021156 "3,20-dioxopregn-4-en-17-yl acetate" 372.23 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:11| VTHUYJIXSMGYOQ-KOORYGTMSA-N 10156152 BRD-A01412266-001-01-0 hydroxypropyl-beta-cyclodextrin 0 98.32 Cayman 16169 1540.663 "C[C@@H](O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC[C@@H](C)O)O[C@H](O[C@@H]4[C@@H](COC[C@@H](C)O)O[C@H](O[C@@H]5[C@@H](COC[C@@H](C)O)O[C@H](O[C@@H]6[C@@H](COC[C@@H](C)O)O[C@H](O[C@@H]7[C@@H](COC[C@@H](C)O)O[C@H](O[C@@H]8[C@@H](COC[C@@H](C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O |a:6,8,10,11,19,21,22,30,32,33,41,43,44,52,54,55,63,65,66,74,76,77,79,81,83,85,87,89,91,93,95,97,99,101,103,&1:1,&2:15,&3:26,&4:37,&5:48,&6:59,&7:70|" ODLHGICHYURWBS-LWHSBNEASA-N BRD-K00003327-001-01-9 hydroxysafflor-yellow-A 0 92.8 MedChemEx HY-N0567 Hydroxysafflor yellow A 612.169 "[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1(O)C(=O)[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)[C@H](C(=O)\C=C\c2ccc(O)cc2)C1=O |&1:12,&2:30,&3:16|" DKEZDPGUJMMUCC-GJVNFNJISA-N BRD-K62186992-334-02-8 hydroxystilbamidine 0 93.1 Enzo ENZ-52253 Hydroxystilbamidine (ultra pure) 280.132 NC(=N)c1ccc(\C=C\c2ccc(cc2O)C(N)=N)cc1 TUESWZZJYCLFNL-DAFODLJHSA-N 5284571 BRD-K01825165-001-02-9 "hydroxytacrine-maleate-(R,S)" 0 95.7 AMS A134094 "9-amino-1,2,3,4-tetrahydro-1-acridinol" 214.111 Nc1c2[C@@H](O)CCCc2nc2ccccc12 |&1:3| HLVVITIHAZBPKB-NSHDSACASA-N 667530 BRD-K75608666-001-09-9 hydroxytoluic-acid 0 95.96 MedChemEx HY-B1399 3-Methylsalicylic acid 152.047 Cc1cccc(C(O)=O)c1O WHSXTWFYRGOBGO-UHFFFAOYSA-N 6738 BRD-K75608666-001-08-3 hydroxytoluic-acid 0 99.14 MicroSource 212064 HYDROXYTOLUIC ACID 152.047 Cc1cccc(C(O)=O)c1O WHSXTWFYRGOBGO-UHFFFAOYSA-N 6738 BRD-K51747290-001-12-3 hydroxyurea 0 0 Selleck S1896 Hydroxyurea 76.027 NC(=O)NO VSNHCAURESNICA-UHFFFAOYSA-N 3657 BRD-K51747290-001-15-6 hydroxyurea 0 0 Selleck S1896 Hydroxyurea (Cytodrox) 76.027 NC(=O)NO VSNHCAURESNICA-UHFFFAOYSA-N 3657 BRD-K51747290-001-13-1 hydroxyurea 0 98.2 MicroSource 1500344 HYDROXYUREA 76.027 NC(=O)NO VSNHCAURESNICA-UHFFFAOYSA-N 3657 BRD-K01826510-300-06-9 hydroxyzine 0 96.59 Selleck S4026 Hydroxyzine 2HCl 446.129 OCCOCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |&1:12| ZQDWXGKKHFNSQK-NRFANRHFSA-N 1548976 BRD-A24252652-001-02-9 hygromycin-B 0 100 MedChemEx HY-B0490 Hygromycin B 527.233 "CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H]23)O[C@H]([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O |a:2,4,6,8,10,12,15,17,21,23,24,28,30,32,34,&1:19|" GRRNUXAQVGOGFE-SIGCQSELSA-N 91617579 BRD-K46424862-001-15-8 hymecromone 0 94.63 MicroSource 1506174 HYMECHROME 176.047 Cc1cc(=O)oc2cc(O)ccc12 HSHNITRMYYLLCV-UHFFFAOYSA-N 5280567 BRD-K46424862-001-16-9 hymecromone 0 100 MedChemEx HY-N0187 4-Methylumbelliferone 176.047 Cc1cc(=O)oc2cc(O)ccc12 HSHNITRMYYLLCV-UHFFFAOYSA-N 5280567 BRD-K46424862-001-14-1 hymecromone 0 95.22 Selleck S2256 4-Methylumbelliferone (4-MU) 176.047 Cc1cc(=O)oc2cc(O)ccc12 HSHNITRMYYLLCV-UHFFFAOYSA-N 5280567 BRD-K44009692-001-02-3 hyodeoxycholic-acid 0 96.92 Selleck S2311 Hyodeoxycholic acid (HDCA) 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C DGABKXLVXPYZII-SIBKNCMHSA-N 5283820 BRD-K49031386-001-01-5 BRD-K44009692-001-03-1 hyodeoxycholic-acid 0 83.3 Selleck S2311 Hyodeoxycholic acid (HDCA) 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C DGABKXLVXPYZII-SIBKNCMHSA-N 5283820 BRD-K40530731-001-12-9 hyoscyamine 0 80.11 MedChemEx HY-N0471 L-Hyoscyamine 289.168 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 RKUNBYITZUJHSG-FXUDXRNXSA-N BRD-K40530731-001-11-6 hyoscyamine 0 97.93 MicroSource 1500346 HYOSCYAMINE 289.168 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 RKUNBYITZUJHSG-FXUDXRNXSA-N BRD-A78303415-001-04-3 BRD-K40530731-001-10-8 hyoscyamine 0 91.99 Selleck S4014 Hyoscyamine 289.168 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 RKUNBYITZUJHSG-FXUDXRNXSA-N BRD-A97674763-001-01-8 BRD-K29673530-001-06-9 hypericin 0 98.33 MedChemEx HY-N0453 Hypericin 504.085 Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O BTXNYTINYBABQR-UHFFFAOYSA-N BRD-K29673530-001-05-4 hypericin 0 91.35 Enzo EI226 Hypericin 504.085 Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O BTXNYTINYBABQR-UHFFFAOYSA-N BRD-A63780829-001-11-4 hyperin 0 96.75 ChemDiv 0407-0014 464.095 "OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |&1:2,&2:4,&3:27,&4:29,&5:31,r|" OVSQVDMCBVZWGM-FHYQVQSVSA-N 5742688 BRD-K13881745-001-01-1 hypoestoxide 0 87.38 EMD 401006-1MG Hypoestoxide 376.225 CC(=O)O[C@@H]1C[C@]2(C)O[C@H]2CC[C@]2(C)O[C@H]2C[C@@H]2CC(=O)C(=C)[C@@H]1C2(C)C HNPAHGHFONBTLV-KSJQNFQUSA-N 11199742 BRD-K03739921-001-06-8 hypoxanthine 0 96.41 Selleck S2424 Hypoxanthine 136.039 O=c1nc[nH]c2nc[nH]c12 FDGQSTZJBFJUBT-UHFFFAOYSA-N 790 BRD-K08109215-001-06-4 I-BET-762 0 97.76 Selleck S7189 I-BET-762 423.146 CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |t:7| AAAQFGUYHFJNHI-SFHVURJKSA-N 46943432 BRD-K08109215-001-05-6 I-BET-762 0 Selleck S7189 IBET-762 423.146 CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |t:7| "InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1" 46943432 BRD-K36363294-300-01-4 I-BET151 0 74.08 Tocris 4650 I-BET 151 dihydrochloride 415.164 COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C VUVUVNZRUGEAHB-CYBMUJFWSA-N 52912189 BRD-K36363294-001-04-2 I-BET151 0 96.17 Selleck S2780 I-BET151 (GSK1210151A) 415.164 COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C VUVUVNZRUGEAHB-CYBMUJFWSA-N 52912189 BRD-K04972057-001-02-9 I-BRD9 0 94.51 Tocris 5591 I-BRD9 497.105 CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1 WRUWGLUCNBMGPS-UHFFFAOYSA-N 91668541 BRD-K04972057-001-01-1 I-BRD9 0 95.93 MedChemEx HY-18975 I-BRD9 497.105 CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1 WRUWGLUCNBMGPS-UHFFFAOYSA-N 91668541 BRD-K14762862-001-01-9 I-BZA 0 89.11 Enamine Z27720938 346.054 CCN(CC)CCNC(=O)c1ccc(I)cc1 HRVWCNMOEFNEON-UHFFFAOYSA-N 129424 BRD-K14762862-001-02-9 I-BZA 0 Broad Institute I-BZA I-BZA 346.054 CCN(CC)CCNC(=O)c1ccc(I)cc1 HRVWCNMOEFNEON-UHFFFAOYSA-N 129424 BRD-K71698503-003-02-9 I-BZA2 0 95.32 Vitas-M STK191932 N-[2-(diethylamino)ethyl]-2-iodobenzamide 346.054 CCN(CC)CCNC(=O)c1ccccc1I WNSWOZIBBVUJBI-UHFFFAOYSA-N 1816834 BRD-K71698503-003-01-6 I-BZA2 0 98.45 ChemBridge 7531337 346.054 CCN(CC)CCNC(=O)c1ccccc1I WNSWOZIBBVUJBI-UHFFFAOYSA-N 1816834 BRD-K57090026-001-04-9 I-CBP-112 0 92.81 Tocris 4891 I-CBP 112 468.262 CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 YKNAKDFZAWQEEO-IBGZPJMESA-N 90488984 BRD-K57090026-001-02-4 I-CBP-112 0 81.05 Tocris 4891 I-CBP 112 468.262 CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 YKNAKDFZAWQEEO-IBGZPJMESA-N 90488984 BRD-K00003105-003-01-9 IACS-10759 0 96.15 MedChemEx HY-112037A IACS-10759 Hydrochloride 562.161 Cc1nc(nn1Cc1cccc(c1)N1CCC(CC1)S(C)(=O)=O)-c1nc(no1)-c1ccc(OC(F)(F)F)cc1 HWJWNWZJUYCGKV-UHFFFAOYSA-N 86711931 BRD-K31135544-001-08-9 IB-MECA 0 94.14 Tocris 1066 IB-MECA 510.051 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 HUJXGQILHAUCCV-MOROJQBDSA-N 123683 BRD-K31135544-001-07-0 IB-MECA 0 96.28 Tocris 1066 IB-MECA 510.051 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 HUJXGQILHAUCCV-MOROJQBDSA-N 123683 BRD-K08681769-323-04-5 ibandronate 1 0 MicroSource 1504818 IBANDRONATE SODIUM 319.095 CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O MPBVHIBUJCELCL-UHFFFAOYSA-N 60852 BRD-K08681769-323-06-9 ibandronate 1 0 MedChemEx HY-B0515 Ibandronate (Sodium Monohydrate) 319.095 CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O MPBVHIBUJCELCL-UHFFFAOYSA-N 60852 BRD-K08681769-323-05-2 ibandronate 1 0 Selleck S3148 Ibandronate sodium 319.095 CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O MPBVHIBUJCELCL-UHFFFAOYSA-N 60852 BRD-K08681769-323-03-7 ibandronate 1 0 Selleck S3148 Ibandronate sodium 319.095 CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O MPBVHIBUJCELCL-UHFFFAOYSA-N 60852 BRD-K15196155-001-02-3 IBC-293 0 96.09 Tocris 2469 IBC 293 205.085 CC(C)n1nnc2cc(ccc12)C(O)=O RUTVRAJKELSHCC-UHFFFAOYSA-N 2736690 BRD-K15196155-001-03-9 IBC-293 0 98.64 Tocris 2469 IBC 293 205.085 CC(C)n1nnc2cc(ccc12)C(O)=O RUTVRAJKELSHCC-UHFFFAOYSA-N 2736690 BRD-K00003408-001-01-9 iberdomide 0 96.98 MedChemEx HY-101291 Iberdomide 449.195 O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O IXZOHGPZAQLIBH-NRFANRHFSA-N 67335295 BRD-K14063023-001-02-9 ibiglustat 0 90.71 MedChemEx HY-16743 Ibiglustat 389.157 CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 YFHRCLAKZBDRHN-MRXNPFEDSA-N 60199242 BRD-K94979336-001-20-0 IBMX 0 95.56 Tocris 2845 IBMX 222.112 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O APIXJSLKIYYUKG-UHFFFAOYSA-N 3758 BRD-K94979336-001-23-9 IBMX 0 97.36 Tocris 2845 IBMX 222.112 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O APIXJSLKIYYUKG-UHFFFAOYSA-N 3758 BRD-A02971356-001-07-2 ibotenic-acid 0 0 Tocris 285 Ibotenic acid 158.033 "N[C@@H](C(O)=O)c1cc(=O)[nH]o1 |&1:1,r|" IRJCBFDCFXCWGO-SCSAIBSYSA-N 6971210 BRD-A02971356-001-09-9 ibotenic-acid 0 100 Tocris 285 Ibotenic acid 158.033 "N[C@@H](C(O)=O)c1cc(=O)[nH]o1 |&1:1,r|" IRJCBFDCFXCWGO-SCSAIBSYSA-N 6971210 BRD-K62490786-001-01-1 ibrolipim 0 97.73 Sigma N1540 diethyl 4-[(4-bromo-2-cyanoanilino)carbonyl]benzylphosphonate 450.034 CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1ccc(Br)cc1C#N)OCC KPRTURMJVWXURQ-UHFFFAOYSA-N 131601 BRD-K70301465-001-05-9 ibrutinib 0 99.58 Selleck S2680 Ibrutinib 440.196 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C XYFPWWZEPKGCCK-GOSISDBHSA-N 24821094 BRD-K70301465-001-02-6 ibrutinib 0 98.19 Selleck S2680 Ibrutinib (PCI-32765) 440.196 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C XYFPWWZEPKGCCK-GOSISDBHSA-N 24821094 BRD-K70301465-001-08-3 ibrutinib 0 99.15 Selleck S2680 Ibrutinib (PCI-32765) 440.196 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C "InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1" 24821094 BRD-K16444452-001-11-7 ibudilast 0 96.95 Tocris 1694 Ibudilast 230.142 CC(C)C(=O)c1c(nn2ccccc12)C(C)C ZJVFLBOZORBYFE-UHFFFAOYSA-N 3671 BRD-K16444452-001-12-9 ibudilast 0 91.68 Tocris 1694 Ibudilast 230.142 CC(C)C(=O)c1c(nn2ccccc12)C(C)C ZJVFLBOZORBYFE-UHFFFAOYSA-N 3671 BRD-K16444452-001-09-1 ibudilast 0 91.99 Tocris 1694 Ibudilast 230.142 CC(C)C(=O)c1c(nn2ccccc12)C(C)C ZJVFLBOZORBYFE-UHFFFAOYSA-N 3671 BRD-A17655518-001-24-4 ibuprofen 0 99.41 MicroSource 1500347 IBUPROFEN 206.131 "CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O |&1:10,r|" HEFNNWSXXWATRW-SNVBAGLBSA-N 114864 BRD-A17655518-001-23-6 ibuprofen 0 96.45 Selleck S1638 Ibuprofen 206.131 "CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O |&1:10,r|" HEFNNWSXXWATRW-SNVBAGLBSA-N 114864 BRD-K14965640-001-13-2 ibuprofen-(S) 0 93.31 Tocris 2796 (S)-(+)-Ibuprofen 206.131 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O HEFNNWSXXWATRW-JTQLQIEISA-N 39912 BRD-K14965640-001-12-4 ibuprofen-(S) 0 99.44 MicroSource 1502363 DEXIBUPROFEN 206.131 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O HEFNNWSXXWATRW-JTQLQIEISA-N 39912 BRD-K14965640-001-14-9 ibuprofen-(S) 0 93.91 Tocris 2796 (S)-(+)-Ibuprofen 206.131 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O HEFNNWSXXWATRW-JTQLQIEISA-N 39912 BRD-M64062803-001-03-9 ibuprofen-lysine 0 0 Selleck S1518 Ibuprofen Lysine (NeoProfen) 352.236 "NCCCC[C@H](N)C(O)=O.CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O |a:5,&1:20|" IHHXIUAEPKVVII-APFIOPMWSA-N 15009332 BRD-M64062803-001-02-1 ibuprofen-lysine 0 0 Selleck S1518 Ibuprofen Lysine (NeoProfen) 352.236 "NCCCC[C@H](N)C(O)=O.CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O |a:5,&1:20|" IHHXIUAEPKVVII-APFIOPMWSA-N 15009332 BRD-M64062803-001-04-7 ibuprofen-lysine 0 0 Selleck S1518 Ibuprofen Lysine (NeoProfen) 352.236 "NCCCC[C@H](N)C(O)=O.CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O |a:5,&1:20|" IHHXIUAEPKVVII-APFIOPMWSA-N 15009332 BRD-A75224450-001-02-4 ibuprofen-piconol 0 95.32 Enamine Z1537603096 2-pyridinylmethyl 2-(4-isobutylphenyl)propanoate 297.173 "CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)OCc1ccccn1 |&1:10,r|" ACEWLPOYLGNNHV-OAHLLOKOSA-N 76968625 BRD-A75224450-001-01-6 ibuprofen-piconol 0 0 Enamine Z1537603096 297.173 "CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)OCc1ccccn1 |&1:10,r|" ACEWLPOYLGNNHV-OAHLLOKOSA-N 76968625 BRD-A40940854-001-01-1 ibuproxam 0 80.93 Enzo EI375 Ibuproxam 221.142 CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NO |r| BYPIURIATSUHDW-SNVBAGLBSA-N 11458696 BRD-K44771174-066-03-9 ibutamoren 0 90.41 Tocris 5272 MK 0677 528.241 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 UMUPQWIGCOZEOY-JOCHJYFZSA-N 178024 BRD-K44771174-066-02-8 ibutamoren 0 91.16 Tocris 5272 MK 0677 528.241 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 UMUPQWIGCOZEOY-JOCHJYFZSA-N 178024 BRD-K44771174-066-01-0 ibutamoren 0 94.74 MedChemEx HY-50844 Ibutamoren (Mesylate) 528.241 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 UMUPQWIGCOZEOY-JOCHJYFZSA-N 178024 BRD-A74391928-051-03-9 ibutilide 0 84.16 Tocris 3908 Ibutilide hemifumarate 384.245 CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 |&1:13| ALOBUEHUHMBRLE-HXUWFJFHSA-N 21149973 BRD-M56587789-051-04-6 BRD-A74391928-051-01-3 ibutilide 0 88.74 Selleck S2118 Ibutilide Fumarate 384.245 CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 |&1:13| ALOBUEHUHMBRLE-HXUWFJFHSA-N 21149973 BRD-M56587789-051-02-0 BRD-A74391928-051-04-9 ibutilide 0 92.01 Tocris 3908 Ibutilide hemifumarate 384.245 CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 |&1:13| ALOBUEHUHMBRLE-HXUWFJFHSA-N 21149973 BRD-A74391928-051-02-1 ibutilide 0 96.32 Selleck S2118 Ibutilide fumarate 384.245 CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 |&1:13| ALOBUEHUHMBRLE-HXUWFJFHSA-N 21149973 BRD-M56587789-051-03-8 BRD-K09638361-001-02-2 IC261 0 74.58 MedChemEx HY-12774 IC261 311.116 COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1 JBJYTZXCZDNOJW-JLHYYAGUSA-N 5288600 BRD-K09638361-001-03-0 IC261 0 70.13 MedChemEx HY-12774 IC261 311.116 COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1 JBJYTZXCZDNOJW-JLHYYAGUSA-N 5288600 BRD-K59839632-001-01-0 ICA-069673 0 87.74 Tocris 4305 ICA 069673 269.017 Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1 IIBSHMFXVWTQSJ-UHFFFAOYSA-N 10149311 BRD-K59839632-001-02-9 ICA-069673 0 92.32 Tocris 4305 ICA 069673 269.017 Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1 IIBSHMFXVWTQSJ-UHFFFAOYSA-N 10149311 BRD-K71686520-001-02-9 ICA-110381 0 92.86 Tocris 4950 ICA 110381 266.001 Clc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1 FOYOGIUAMYSVIT-UHFFFAOYSA-N 4314115 BRD-K71686520-001-01-4 ICA-110381 0 92.75 Tocris 4950 ICA 110381 266.001 Clc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1 FOYOGIUAMYSVIT-UHFFFAOYSA-N 4314115 BRD-K03149601-001-02-6 ICA-121431 0 97.46 Tocris 5066 ICA 121431 449.087 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 URSQNPPONHUJDL-UHFFFAOYSA-N 998021 BRD-K03149601-001-01-8 ICA-121431 0 99.45 Stanley ICA-121431 449.087 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 URSQNPPONHUJDL-UHFFFAOYSA-N 998021 BRD-K65639003-001-11-9 icariin 0 88.83 MedChemEx HY-N0014 Icariin 676.237 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TZJALUIVHRYQQB-XLRXWWTNSA-N 5318997 BRD-K65639003-001-10-8 icariin 0 89 Selleck S2312 Icariin 676.237 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TZJALUIVHRYQQB-XLRXWWTNSA-N 5318997 BRD-A06210771-001-02-9 BRD-K65639003-001-09-0 icariin 0 93.32 Selleck S2312 Icariin 676.237 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O TZJALUIVHRYQQB-XLRXWWTNSA-N 5318997 BRD-A88583207-001-01-6 BRD-K24476327-001-02-1 icaritin 0 88.81 MedChemEx HY-N0678 Icaritin 368.126 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O TUUXBSASAQJECY-UHFFFAOYSA-N 5318980 BRD-K24476327-001-01-3 icaritin 0 80.18 MedChemEx HY-N0678 Icaritin 368.126 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O TUUXBSASAQJECY-UHFFFAOYSA-N 5318980 BRD-K24476327-001-03-9 icaritin 0 62.12 Sigma MFCD22422519 "5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)chromane-3,4-dione" 368.126 COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O TUUXBSASAQJECY-UHFFFAOYSA-N 5318980 BRD-K63772874-001-03-0 icatibant-acetate 0 93.99 MedChemEx HY-17446 Icatibant 1303.661 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O QURWXBZNHXJZBE-SKXRKSCCSA-N 6918173 BRD-K63772874-001-02-2 icatibant-acetate 0 76.03 MedChemEx HY-17446 Icatibant 1303.661 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O QURWXBZNHXJZBE-SKXRKSCCSA-N 6918173 BRD-K63772874-001-01-4 icatibant-acetate 0 55.15 MedChemEx HY-17446 Icatibant 1303.661 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O QURWXBZNHXJZBE-SKXRKSCCSA-N 6918173 BRD-K73261812-001-05-9 ICG-001 0 91.46 Tocris 4505 ICG 001 548.242 Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1 HQWTUOLCGKIECB-XZWHSSHBSA-N 11238147 BRD-K74603273-003-02-9 "ICI-118,551" 0 92.56 Tocris 821 "ICI 118,551 hydrochloride" 277.204 CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12 VFIDUCMKNJIJTO-XJKSGUPXSA-N 5311179 BRD-K74603273-003-01-1 "ICI-118,551" 0 97.18 Tocris 821 "ICI 118,551 hydrochloride" 277.204 CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12 VFIDUCMKNJIJTO-XJKSGUPXSA-N 5311179 BRD-K66782112-001-03-9 ICI-162846 0 86.97 Tocris 833 "ICI 162,846" 306.142 NC(=O)CCCCn1ccc(NC(=N)NCC(F)(F)F)n1 ALCSGJCIESECFD-UHFFFAOYSA-N 134778 BRD-K66782112-001-02-0 ICI-162846 0 91.43 Tocris 833 "ICI 162,846" 306.142 NC(=O)CCCCn1ccc(NC(=N)NCC(F)(F)F)n1 ALCSGJCIESECFD-UHFFFAOYSA-N 134778 BRD-K00004569-001-01-9 ICI-169369 0 90.63 Sigma MFCD28047481 "N,N-dimethyl-2-(3-phenylquinolin-2-ylthio)ethanamine" 308.135 CN(C)CCSc1nc2ccccc2cc1-c1ccccc1 HYOLQGVNMQNERE-UHFFFAOYSA-N 122265 BRD-K29133151-001-03-2 "ICI-185,282" 0 96.78 Tocris 836 "ICI 185,282" 374.134 OC(=O)CCC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)C(F)(F)F ZWAVGFSZMACJHA-PMNBYGLBSA-N 5311390 BRD-K59433843-001-02-5 ICI-192605 0 94.82 Tocris 837 "ICI 192,605" 402.123 OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl WHUIENZXNGAHQI-GKZDNZBASA-N 6604763 BRD-K59433843-001-03-9 ICI-192605 0 94.87 Tocris 837 "ICI 192,605" 402.123 OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl WHUIENZXNGAHQI-GKZDNZBASA-N 6604763 BRD-K59433843-001-01-7 ICI-192605 0 96.71 Tocris 837 "ICI 192,605" 402.123 OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl WHUIENZXNGAHQI-GKZDNZBASA-N 6604763 BRD-K73290745-003-03-4 ICI-199441 0 97.12 Tocris 778 "ICI 199,441 hydrochloride" 390.127 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 AEJOEPSMZCEYJN-HXUWFJFHSA-N 3082718 BRD-K73290745-003-04-9 ICI-199441 0 97.04 Tocris 778 "ICI 199,441 hydrochloride" 390.127 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 AEJOEPSMZCEYJN-HXUWFJFHSA-N 3082718 BRD-K73290745-003-02-6 ICI-199441 0 95.83 Tocris 778 "ICI 199,441 hydrochloride" 390.127 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 AEJOEPSMZCEYJN-HXUWFJFHSA-N 3082718 BRD-K52487250-003-01-2 "ICI-215,001" 0 98.33 Tocris 929 "ICI 215,001 hydrochloride" 361.153 O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1 MXWICZOXPUWAHY-HNNXBMFYSA-N 164451 BRD-K52219182-001-03-2 ICI-63197 0 96.67 Tocris 1816 ICI 63197 207.112 CCCn1c2nc(N)nn2cc(C)c1=O UQDVRVNMIJAGRK-UHFFFAOYSA-N 62824 BRD-K52219182-001-04-9 ICI-63197 0 91.79 Tocris 1816 ICI 63197 207.112 CCCn1c2nc(N)nn2cc(C)c1=O UQDVRVNMIJAGRK-UHFFFAOYSA-N 62824 BRD-K52219182-001-02-4 ICI-63197 0 97.43 Tocris 1816 ICI 63197 207.112 CCCn1c2nc(N)nn2cc(C)c1=O UQDVRVNMIJAGRK-UHFFFAOYSA-N 62824 BRD-A03359064-001-02-3 ICI-89406 0 88.81 Tocris 832 ICI 89406 354.169 "O[C@@H](CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N |&1:1,r|" HTLWRKRZKFAAAH-KRWDZBQOSA-N 92211532 BRD-A03359064-001-03-9 ICI-89406 0 93.98 Tocris 832 ICI 89406 354.169 "O[C@@H](CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N |&1:1,r|" HTLWRKRZKFAAAH-KRWDZBQOSA-N 92211532 BRD-K48869804-001-09-6 icilin 0 10.14 Tocris 1531 Icilin 311.091 Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O |c:10| RCEFMOGVOYEGJN-UHFFFAOYSA-N 161930 BRD-K00003415-001-01-9 iclaprim 0 98.18 MedChemEx HY-101479 Iclaprim 354.169 "COc1cc(Cc2cnc(N)nc2N)c2C=C[C@H](Oc2c1OC)C1CC1 |&1:17,r,c:16|" HWJPWWYTGBZDEG-AWEZNQCLSA-N 10247560 BRD-K41234004-001-03-1 icomucret 0 44 Enzo H015 15(S)-HETE 320.235 CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O JSFATNQSLKRBCI-VAEKSGALSA-N 5280724 BRD-K47192521-001-05-4 icosapent 0 87.46 Enzo FA001 Eicosapentaenoic acid (20:5 n-3) 302.225 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O JAZBEHYOTPTENJ-JLNKQSITSA-N 446284 BRD-K47192521-001-06-2 icosapent 0 13.49 Sigma 44864-100MG Eicosapentaenoic acid (cis-) 302.225 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O JAZBEHYOTPTENJ-JLNKQSITSA-N 446284 BRD-K31698212-001-03-9 icotinib 0 95.89 MedChemEx HY-15164A Icotinib 391.153 C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 QQLKULDARVNMAL-UHFFFAOYSA-N 22024915 BRD-K31698212-001-02-9 icotinib 0 96.95 Selleck S2922 Icotinib 391.153 C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 QQLKULDARVNMAL-UHFFFAOYSA-N 22024915 BRD-K18634484-001-01-4 iCRT-14 0 89.36 Tocris 4299 iCRT 14 375.104 Cc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c(C)n1-c1cccnc1 NCSHZXNGQYSKLR-UNOMPAQXSA-N 5967294 BRD-K18634484-001-02-9 iCRT-14 0 93.93 Tocris 4299 iCRT 14 375.104 Cc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c(C)n1-c1cccnc1 NCSHZXNGQYSKLR-UNOMPAQXSA-N 5967294 BRD-K90305467-001-01-3 ID-1101 0 78.9 Sigma 50118 "2-amino-2,3,5-trideoxy-3-methyl-L-ribonic acid" 147.09 C[C@H](O)[C@H](C)[C@H](N)C(O)=O OSCCDBFHNMXNME-YUPRTTJUSA-N 6918732 BRD-K39166528-001-02-8 ID-8 0 92.58 Tocris 3853 ID 8 298.095 COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12 VVZNWYXIOADGSW-UHFFFAOYSA-N 791637 BRD-K39166528-001-01-0 ID-8 0 97.87 Selleck S7327 ID-8 298.095 COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12 VVZNWYXIOADGSW-UHFFFAOYSA-N 791637 BRD-K39166528-001-03-9 ID-8 0 98.74 Tocris 3853 ID 8 298.095 COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12 VVZNWYXIOADGSW-UHFFFAOYSA-N 791637 BRD-K79102359-003-01-6 idalopirdine 0 95.12 MedChemEx HY-14338A Lu AE58054 (Hydrochloride) 398.142 FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 YBAWYTYNMZWMMJ-UHFFFAOYSA-N 21071390 BRD-K79102359-003-02-9 idalopirdine 0 97.15 MedChemEx HY-14338A Idalopirdine Hydrochloride 398.142 FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 YBAWYTYNMZWMMJ-UHFFFAOYSA-N 21071390 BRD-K69650333-003-14-0 idarubicin 0 88.11 Selleck S1228 Idarubicin HCl 497.169 C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O XDXDZDZNSLXDNA-TZNDIEGXSA-N 42890 BRD-K63126143-003-01-4 BRD-K69650333-003-13-2 idarubicin 0 98.01 Selleck S1228 Idarubicin HCl 497.169 C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O XDXDZDZNSLXDNA-TZNDIEGXSA-N 42890 BRD-K62627508-001-01-5 idasanutlin 0 97.79 MedChemEx HY-15676 RG7388 615.15 COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O TVTXCJFHQKSQQM-LJQIRTBHSA-N 53358942 BRD-K62627508-001-06-9 idasanutlin 0 Cayman 21532 idasanutlin 615.15 COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O "InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1" 53358942 BRD-A18696154-001-02-2 idazoxan 0 96.56 AMS A001595684 "2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole" 204.09 "C1CN=C(N1)[C@H]1COc2ccccc2O1 |r,c:2|" HPMRFMKYPGXPEP-SNVBAGLBSA-N 12866829 BRD-A18696154-003-22-6 idazoxan 0 84.32 MicroSource 1506073 IDAZOXAN HYDROCHLORIDE 204.09 "C1CN=C(N1)[C@H]1COc2ccccc2O1 |r,c:2|" HPMRFMKYPGXPEP-SNVBAGLBSA-N 12866829 BRD-A18696154-003-21-8 idazoxan 0 68.74 Tocris 793 Idazoxan hydrochloride 204.09 "C1CN=C(N1)[C@H]1COc2ccccc2O1 |r,c:2|" HPMRFMKYPGXPEP-SNVBAGLBSA-N 12866829 BRD-K37516142-001-10-5 idebenone 0 95.71 MicroSource 1505755 IDEBENONE 338.209 "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19|" JGPMMRGNQUBGND-UHFFFAOYSA-N 3686 BRD-K37516142-001-11-3 idebenone 0 85.77 Selleck S2605 Idebenone 338.209 "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19|" JGPMMRGNQUBGND-UHFFFAOYSA-N 3686 BRD-K37516142-001-13-9 idebenone 0 82.16 Tocris 3002 Idebenone 338.209 "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19|" JGPMMRGNQUBGND-UHFFFAOYSA-N 3686 BRD-K37516142-001-09-7 idebenone 0 89.57 Selleck S2605 Idebenone 338.209 "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19|" JGPMMRGNQUBGND-UHFFFAOYSA-N 3686 BRD-K60866521-001-07-1 idelalisib 0 96.97 Selleck S2226 "CAL-101 (Idelalisib, GS-1101)" 415.156 CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 IFSDAJWBUCMOAH-HNNXBMFYSA-N 11625818 BRD-K60866521-001-04-8 idelalisib 0 Selleck S2226 CAL-101 (GS-1101) 415.156 CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 "InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1" 11625818 BRD-K00003098-001-01-9 IDF-11774 0 91.96 MedChemEx HY-111387 IDF-11774 368.246 CN1CCN(CC1)C(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 QGBBBLPWBSWERZ-UHFFFAOYSA-N 71542096 BRD-K00003457-001-01-9 IDH-305 0 95.98 MedChemEx HY-104036 IDH-305 490.174 C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 DCGDPJCUIKLTDU-SUNYJGFJSA-N 90415637 BRD-K22356203-001-01-8 IDO5L 0 88.63 MedChemEx HY-15683 INCB024360 271.027 Nc1nonc1\C(NO)=N/c1ccc(F)c(Cl)c1 HGXSLPIXNPASGZ-UHFFFAOYSA-N 135424953 BRD-K22356203-001-02-9 IDO5L 0 95.26 MedChemEx HY-15683 IDO5L 271.027 Nc1nonc1\C(NO)=N/c1ccc(F)c(Cl)c1 HGXSLPIXNPASGZ-UHFFFAOYSA-N 135424953 BRD-K76634210-001-15-9 idoxuridine 0 100 MedChemEx HY-B0307 Idoxuridine 353.971 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O XQFRJNBWHJMXHO-RRKCRQDMSA-N 5905 BRD-K76634210-001-12-1 idoxuridine 0 94.78 Selleck S1883 Idoxuridine 353.971 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O XQFRJNBWHJMXHO-RRKCRQDMSA-N 5905 BRD-K76634210-001-14-7 idoxuridine 0 98.08 MicroSource 1502350 IDOXURIDINE 353.971 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O XQFRJNBWHJMXHO-RRKCRQDMSA-N 5905 BRD-A85439007-001-01-6 BRD-A14344385-001-04-0 IDRA-21 0 97.41 Tocris 1219 IDRA 21 232.007 "C[C@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1 |&1:1,r|" VZRNTCHTJRLTMU-YFKPBYRVSA-N 7048549 BRD-A14344385-001-05-9 IDRA-21 0 92.3 Tocris 1219 IDRA 21 232.007 "C[C@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1 |&1:1,r|" VZRNTCHTJRLTMU-YFKPBYRVSA-N 7048549 BRD-A14344385-001-03-2 IDRA-21 0 87.78 Tocris 1219 IDRA 21 232.007 "C[C@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1 |&1:1,r|" VZRNTCHTJRLTMU-YFKPBYRVSA-N 7048549 BRD-K00003671-001-01-9 idramantone 0 100 MedChemEx HY-B1044 Idramantone 166.099 "[H][C@@]12C[C@@]3([H])C[C@@](O)(C1)C[C@@]([H])(C2)C3=O |&1:1,3,6,10|" TZBDEVBNMSLVKT-XYYXLIQBSA-N BRD-K74671368-001-01-8 idronoxil 0 92.71 Sigma MFCD06636630 3-(4-hydroxyphenyl)-2H-chromen-7-ol 240.079 Oc1ccc(cc1)C1=Cc2ccc(O)cc2OC1 |t:8| ZZUBHVMHNVYXRR-UHFFFAOYSA-N 219100 BRD-K13829090-303-03-7 IEM1460 0 80.14 Tocris 1636 IEM 1460 293.296 C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2 IWYZMMIPAJDJBN-UHFFFAOYSA-N 3248290 BRD-K13829090-303-04-9 IEM1460 0 100 Tocris 1636 IEM 1460 293.296 C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2 IWYZMMIPAJDJBN-UHFFFAOYSA-N 3248290 BRD-K13829090-303-02-9 IEM1460 0 98.63 Tocris 1636 IEM 1460 293.296 C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2 IWYZMMIPAJDJBN-UHFFFAOYSA-N 3248290 BRD-K80060353-303-03-9 IEM1754 0 95.33 Selleck S2860 IEM 1754 dihydrobroMide 250.241 NCCCCCNCC12CC3CC(CC(C3)C1)C2 UWWMQHVWAYFCDT-UHFFFAOYSA-N 9887868 BRD-K80060353-303-02-1 IEM1754 0 0 Selleck S2860 IEM 1754 dihydrobroMide 250.241 NCCCCCNCC12CC3CC(CC(C3)C1)C2 UWWMQHVWAYFCDT-UHFFFAOYSA-N 9887868 BRD-K80060353-303-04-9 IEM1754 0 4.78 Tocris 4199 IEM 1754 dihydrobromide 250.241 NCCCCCNCC12CC3CC(CC(C3)C1)C2 UWWMQHVWAYFCDT-UHFFFAOYSA-N 9887868 BRD-K00004210-045-01-9 ifenprodil 0 94.12 Tocris 545 Ifenprodil hemitartrate 325.204 "C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |&1:1,2|" UYNVMODNBIQBMV-KKSFZXQISA-N 6604117 BRD-A67097164-001-18-7 ifosfamide 0 100 MicroSource 1505480 IFOSFAMIDE 260.025 ClCCN[P@@]1(=O)OCCCN1CCCl |r| HOMGKSMUEGBAAB-CQSZACIVSA-N 9588020 BRD-A67097164-001-17-9 ifosfamide 0 99.3 Selleck S1302 Ifosfamide 260.025 ClCCN[P@@]1(=O)OCCCN1CCCl |r| HOMGKSMUEGBAAB-CQSZACIVSA-N 9588020 BRD-A48376327-003-01-5 igmesine 0 95.83 Tocris 2332 "(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine hydrochloride" 319.23 CCC(C\C=C\c1ccccc1)(N(C)CC1CC1)c1ccccc1 |&1:2| VCZSWYIFCKGTJI-JLHYYAGUSA-N 6438340 BRD-K15426076-001-01-2 iguratimod 0 96.01 MedChemEx HY-17009 Iguratimod 374.057 CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 ANMATWQYLIFGOK-UHFFFAOYSA-N 124246 BRD-K15426076-001-02-9 iguratimod 0 94.49 MedChemEx HY-17009 Iguratimod 374.057 CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 ANMATWQYLIFGOK-UHFFFAOYSA-N 124246 BRD-K14618467-003-02-6 IKK-16 0 95.29 Tocris 2539 IKK 16 483.209 O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 BWZJBXAPRCVCKQ-UHFFFAOYSA-N 9549298 BRD-K14618467-003-07-9 IKK-16 0 95.84 Tocris 2539 IKK 16 483.209 O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 BWZJBXAPRCVCKQ-UHFFFAOYSA-N 9549298 BRD-K14618467-003-03-4 IKK-16 0 90.07 Tocris 2539 IKK 16 483.209 O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 BWZJBXAPRCVCKQ-UHFFFAOYSA-N 9549298 BRD-K14618467-001-04-6 IKK-16 0 93.32 Selleck S2882 IKK-16 (IKK Inhibitor VII) 483.209 O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 BWZJBXAPRCVCKQ-UHFFFAOYSA-N 9549298 BRD-K26373640-001-06-9 IKK-2-inhibitor 0 83.04 Tocris 3318 SC 514 224.008 NC(=O)c1sc(cc1N)-c1ccsc1 BMUACLADCKCNKZ-UHFFFAOYSA-N 2807869 BRD-K26373640-001-05-1 IKK-2-inhibitor 0 86.1 Selleck S4907 SC-514 224.008 NC(=O)c1sc(cc1N)-c1ccsc1 BMUACLADCKCNKZ-UHFFFAOYSA-N 2807869 BRD-K26373640-001-07-7 IKK-2-inhibitor 0 94.68 Selleck S4907 SC-514 224.008 NC(=O)c1sc(cc1N)-c1ccsc1 BMUACLADCKCNKZ-UHFFFAOYSA-N 2807869 BRD-K74305673-001-07-0 IKK-2-inhibitor-V 0 96.15 Tocris 2611 IMD 0354 383.015 Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F CHILCFMQWMQVAL-UHFFFAOYSA-N 5081913 BRD-K74305673-001-06-2 IKK-2-inhibitor-V 0 97.99 Selleck S2864 IMD 0354 383.015 Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F CHILCFMQWMQVAL-UHFFFAOYSA-N 5081913 BRD-K00003427-001-01-9 ilaprazole 0 41.08 MedChemEx HY-101664 Ilaprazole 366.115 "COc1ccnc(C[S@@](=O)c2nc3ccc(cc3[nH]2)-n2cccc2)c1C |&1:8,r|" HRRXCXABAPSOCP-AREMUKBSSA-N 76968095 BRD-K60480335-001-09-9 ilepcimide 0 95.17 Vitas-M STK416971 "(2E)-3-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one" 259.121 O=C(\C=C\c1ccc2OCOc2c1)N1CCCCC1 BLPUOQGPBJPXRL-FNORWQNLSA-N 641115 BRD-K51662849-001-05-4 ilomastat 0 93.3 Selleck S7157 "Ilomastat (GM6001, Galardin)" 388.211 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO NITYDPDXAAFEIT-DYVFJYSZSA-N 132519 BRD-K51662849-001-08-8 ilomastat 0 94.49 Selleck S7157 GM6001 388.211 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO NITYDPDXAAFEIT-DYVFJYSZSA-N 132519 BRD-K48722833-001-07-6 iloperidone 0 97.56 Selleck S1483 Iloperidone 426.195 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O XMXHEBAFVSFQEX-UHFFFAOYSA-N 71360 BRD-A45664787-001-04-8 iloprost 0 50.79 MedChemEx HY-A0096 Iloprost 360.23 "CC#CC[C@@H](C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O |a:6,10,11,14,18,&1:4|" HIFJCPQKFCZDDL-GBSCXWAGSA-N 51397006 BRD-K92723993-001-12-5 imatinib 0 99.23 Selleck S2475 Imatinib 493.259 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 KTUFNOKKBVMGRW-UHFFFAOYSA-N 5291 BRD-K92723993-001-06-7 imatinib 0 96.55 Selleck S2475 Imatinib (STI571) 493.259 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 KTUFNOKKBVMGRW-UHFFFAOYSA-N 5291 BRD-K92723993-066-22-7 imatinib 0 96.22 Selleck S1026 Imatinib Mesylate (STI571) 493.259 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 KTUFNOKKBVMGRW-UHFFFAOYSA-N 5291 BRD-K92723993-001-28-9 imatinib 0 98.23 MedChemEx HY-15463 Imatinib 493.259 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 KTUFNOKKBVMGRW-UHFFFAOYSA-N 5291 BRD-K96298462-001-08-9 Imazodan 0 91.48 AMS A125170 "6-[4-(1H-imidazol-1-yl)phenyl]-4,5-dihydro-3(2H)-pyridazinone" 240.101 O=C1CCC(=NN1)c1ccc(cc1)-n1ccnc1 |c:4| VXMYWVMXSWJFCV-UHFFFAOYSA-N 55918 BRD-K55822903-003-02-6 imeglimin 0 97.85 MedChemEx HY-14771A Imeglimin (hydrochloride) 155.117 "C[C@H]1NC(=NC(N)=N1)N(C)C |c:3,6|" GFICWFZTBXUVIG-SCSAIBSYSA-N 24812808 BRD-K55822903-003-01-8 imeglimin 0 70.27 MedChemEx HY-14771A Imeglimin (hydrochloride) 155.117 "C[C@H]1NC(=NC(N)=N1)N(C)C |c:3,6|" GFICWFZTBXUVIG-SCSAIBSYSA-N 24812808 BRD-K33183200-303-06-9 imetit 0 90.11 Tocris 729 Imetit dihydrobromide 170.063 NC(=N)SCCc1cnc[nH]1 PEHSVUKQDJULKE-UHFFFAOYSA-N 3692 BRD-K33183200-303-02-4 imetit 0 90.26 Tocris 729 Imetit dihydrobromide 170.063 NC(=N)SCCc1cnc[nH]1 PEHSVUKQDJULKE-UHFFFAOYSA-N 3692 BRD-A78195072-001-06-2 imexon 0 100 MicroSource 1506181 IMEXON 111.043 "NC1=NC(=O)N2C[C@@H]12 |r,t:1|" BIXBBIPTYBJTRY-VBMBUWLQSA-N 24822698 BRD-K76609936-001-08-4 imidacloprid 0 99.22 SantaCruz sc-211632 Imidacloprid 255.052 [O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)nc1 YWTYJOPNNQFBPC-UHFFFAOYSA-N 86418 BRD-K29626940-001-01-5 imidafenacin 0 97.97 MedChemEx HY-B0662 "4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide" 319.168 Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 SQKXYSGRELMAAU-UHFFFAOYSA-N 6433090 BRD-K29626940-001-02-3 imidafenacin 0 94.31 MedChemEx HY-B0662 Imidafenacin 319.168 Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 SQKXYSGRELMAAU-UHFFFAOYSA-N 6433090 BRD-K11466259-003-04-1 imidapril 0 97.97 Selleck S2109 Imidapril HCl 405.19 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O KLZWOWYOHUKJIG-BPUTZDHNSA-N 5464343 BRD-K00004617-001-01-9 imidazoacridinone 0 57.63 Sigma SML0465 "5-{[2-(diethylamino)ethyl]amino}-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one" 350.174 CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 CUNDRHORZHFPLY-UHFFFAOYSA-N 132127 BRD-K00003682-001-01-9 imidurea 0 100 MedChemEx HY-B1158 Imidazolidinyl urea 388.109 "OCN1[C@@H](NC(=O)NCNC(=O)N[C@@H]2N(CO)C(=O)NC2=O)C(=O)NC1=O |&1:3,&2:13,r|" ZCTXEAQXZGPWFG-RFZPGFLSSA-N 6604401 BRD-A10903566-003-08-9 imiloxan 0 89.04 Tocris 986 Imiloxan hydrochloride 244.121 CCn1ccnc1C[C@H]1COc2ccccc2O1 |&1:8| UXABARREKCJULM-NSHDSACASA-N 76966048 BRD-A10903566-003-07-7 imiloxan 0 97.18 Tocris 986 Imiloxan hydrochloride 244.121 CCn1ccnc1C[C@H]1COc2ccccc2O1 |&1:8| UXABARREKCJULM-NSHDSACASA-N 76966048 BRD-K23200955-002-01-5 imipenem 0 0 MicroSource 1506001 IMIPENEM 299.094 C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O |c:12| ZSKVGTPCRGIANV-ZXFLCMHBSA-N 104838 BRD-K23200955-002-02-3 imipenem 0 0 Sigma MFCD09753321 "(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate" 299.094 C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O |c:12| ZSKVGTPCRGIANV-ZXFLCMHBSA-N 104838 BRD-K38436528-003-25-3 imipramine 0 81.95 Selleck S4377 Imipramine HCl 280.194 CN(C)CCCN1c2ccccc2CCc2ccccc12 BCGWQEUPMDMJNV-UHFFFAOYSA-N 3696 BRD-K38436528-003-26-1 imipramine 0 92.52 MicroSource 1500348 IMIPRAMINE HYDROCHLORIDE 280.194 CN(C)CCCN1c2ccccc2CCc2ccccc12 BCGWQEUPMDMJNV-UHFFFAOYSA-N 3696 BRD-K38436528-003-27-9 imipramine 0 91.26 Selleck S4377 IMipraMine hydrochloride 280.194 CN(C)CCCN1c2ccccc2CCc2ccccc12 BCGWQEUPMDMJNV-UHFFFAOYSA-N 3696 BRD-K26657438-003-01-8 imiquimod 0 76.03 MicroSource 1502351 IMIQUIMOD HYDROCHLORIDE 240.137 CC(C)Cn1cnc2c(N)nc3ccccc3c12 DOUYETYNHWVLEO-UHFFFAOYSA-N 57469 BRD-K26657438-001-17-8 imiquimod 0 98.69 Selleck S1211 Imiquimod 240.137 CC(C)Cn1cnc2c(N)nc3ccccc3c12 DOUYETYNHWVLEO-UHFFFAOYSA-N 57469 BRD-K26657438-001-15-2 imiquimod 0 89.21 Selleck S1211 Imiquimod 240.137 CC(C)Cn1cnc2c(N)nc3ccccc3c12 DOUYETYNHWVLEO-UHFFFAOYSA-N 57469 BRD-K00003208-001-01-9 imirestat 0 95.55 MedChemEx HY-16255 Imirestat 286.055 Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1 QCCHBHSAIQIQGO-UHFFFAOYSA-N 65673 BRD-K00003154-001-01-9 imisopasem-manganese 0 0 MedChemEx HY-13336 Imisopasem manganese 478.134 [H][C@@]12CCCC[C@@]1([H])N1Cc3cccc(CN4[C@]5([H])CCCC[C@@]5([H])N5CCN2[Mn]145(Cl)Cl)n3 UWYSKLMRWPKZES-XNPJUPKFSA-L BRD-K25906698-303-03-9 immepip 0 52.5 Tocris 932 Immepip dihydrobromide 165.127 C(C1CCNCC1)c1cnc[nH]1 MCNGUYXRBCIGOV-UHFFFAOYSA-N 3035842 BRD-K25906698-303-02-7 immepip 0 91.38 Tocris 932 Immepip dihydrobromide 165.127 C(C1CCNCC1)c1cnc[nH]1 MCNGUYXRBCIGOV-UHFFFAOYSA-N 3035842 BRD-K49519092-303-03-0 immethridine 0 97.64 Tocris 2315 4-(1H-imidazol-5-ylmethyl)pyridine dihydrobromide 159.08 C(c1cnc[nH]1)c1ccncc1 DFVSGZHJSIEEQQ-UHFFFAOYSA-N 9989505 BRD-K49519092-303-02-2 immethridine 0 36.83 Tocris 2315 Immethridine dihydrobromide 159.08 C(c1cnc[nH]1)c1ccncc1 DFVSGZHJSIEEQQ-UHFFFAOYSA-N 9989505 BRD-K20049318-303-03-9 impentamine 0 87.55 Tocris 1858 Impentamine dihydrobromide 153.127 NCCCCCc1cnc[nH]1 MZCJWLAXZRFUPI-UHFFFAOYSA-N 9793868 BRD-K20049318-303-02-1 impentamine 0 70.44 Tocris 1858 Impentamine dihydrobromide 153.127 NCCCCCc1cnc[nH]1 MZCJWLAXZRFUPI-UHFFFAOYSA-N 9793868 BRD-K00926464-001-02-9 IMREG-1 0 85.01 ChemImpex 11256 Tyr-Gly-Gly-OH 295.117 N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(O)=O HIINQLBHPIQYHN-JTQLQIEISA-N 7021857 BRD-K00926464-001-01-8 IMREG-1 0 97.29 ChemImpex 11256 295.117 N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(O)=O HIINQLBHPIQYHN-JTQLQIEISA-N 7021857 BRD-K00003532-001-01-9 inarigivir 0 61.1 MedChemEx HY-101954 Inarigivir 587.12 "CO[C@@H]1[C@H](O[P@](S)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O |a:2,3,10,12,14,26,30,&1:5|" LYMICVBGNUEHGE-NLKZJYKHSA-N BRD-K00004751-001-01-9 inarigivir-soproxil 0 93.11 MedChemEx HY-109035 Inarigivir soproxil 703.167 "[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO[P@](=O)(O[C@]1([H])[C@@]([H])(CO)O[C@@]([H])(n2ccc(=O)[nH]c2=O)[C@]1([H])OC)SCOC(=O)OC(C)C)n1cnc2c(N)ncnc12 |&1:11,r|" CJCYTUJOSMYXLE-NHMFLIHISA-N BRD-K81016934-001-03-9 INC-280 0 91.74 MedChemEx HY-13404 Capmatinib 412.145 CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 LIOLIMKSCNQPLV-UHFFFAOYSA-N 25145656 BRD-K81016934-001-02-0 INC-280 0 95.86 Selleck S2788 INCB28060 412.145 CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 LIOLIMKSCNQPLV-UHFFFAOYSA-N 25145656 BRD-K33308633-001-03-2 INCA-6 0 0 Tocris 2162 INCA-6 284.084 "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc12 |c:2,6|" GCHPUOHXXCNSQL-UHFFFAOYSA-N 230748 BRD-K33308633-001-02-4 INCA-6 0 58.26 Tocris 2162 INCA-6 284.084 "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc12 |c:2,6|" GCHPUOHXXCNSQL-UHFFFAOYSA-N 230748 BRD-K33308633-001-04-9 INCA-6 0 0.47 Tocris 2162 INCA-6 284.084 "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc12 |c:2,6|" GCHPUOHXXCNSQL-UHFFFAOYSA-N 230748 BRD-K28059174-334-01-2 INCB-003284 0 83.66 EMDBio 504361-5MG INCB 3284 dimesylate 520.23 COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F NXZNYBUBXWWKCP-JMOWIOHXSA-N 11527661 BRD-K00003102-001-01-9 INCB-057643 0 95.91 MedChemEx HY-111485 INCB-057643 415.12 CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(O)c2nccc12)S(C)(=O)=O ZNFWPFHSBWLNSO-UHFFFAOYSA-N BRD-K67628093-001-01-9 INCB-3284 0 92.32 MedChemEx HY-15450A INCB 3284 520.23 COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F NXZNYBUBXWWKCP-DNRQZRRGSA-N BRD-K00003344-001-01-9 incyclinide 0 92.17 MedChemEx HY-13648 Incyclinide 371.101 "[H][C@@]12Cc3cccc(O)c3C(=O)[C@@H]1C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)C[C@]1([H])C2 |&1:19,&2:12|" MDYVZYDNBUAVCN-WCAKBIDQSA-N BRD-K89208535-050-02-9 indacaterol 0 98.27 MedChemEx HY-14299A Indacaterol (maleate) 392.21 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 QZZUEBNBZAPZLX-QFIPXVFZSA-N 6918554 BRD-K89208535-051-01-5 indacaterol 0 95.34 Selleck S3083 Indacaterol Maleate 392.21 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 QZZUEBNBZAPZLX-QFIPXVFZSA-N 6918554 BRD-K64973364-001-01-4 indalpine 0 90.29 Sigma PH011694 3-[2-(4-piperidinyl)ethyl]-1H-indole 228.163 C(Cc1c[nH]c2ccccc12)C1CCNCC1 SADQVAVFGNTEOD-UHFFFAOYSA-N 44668 BRD-A95869247-001-29-9 indapamide 0 99.2 MedChemEx HY-B0259 Indapamide 365.06 "C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O |&1:1,r|" NDDAHWYSQHTHNT-JTQLQIEISA-N 12598931 BRD-A95869247-001-26-9 indapamide 0 96.25 MicroSource 1500349 INDAPAMIDE 365.06 "C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O |&1:1,r|" NDDAHWYSQHTHNT-JTQLQIEISA-N 12598931 BRD-A95869247-001-25-1 indapamide 0 93.55 Selleck S1730 Indapamide 365.06 "C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O |&1:1,r|" NDDAHWYSQHTHNT-JTQLQIEISA-N 12598931 BRD-K01649396-003-08-9 indatraline 0 96.95 Tocris 1588 Indatraline hydrochloride 291.058 CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 SVFXPTLYMIXFRX-XJKSGUPXSA-N 126280 BRD-K01649396-003-09-9 indatraline 0 94.85 Tocris 1588 Indatraline hydrochloride 291.058 CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 SVFXPTLYMIXFRX-XJKSGUPXSA-N 126280 BRD-K01649396-003-07-1 indatraline 0 96.85 Tocris 1588 Indatraline hydrochloride 291.058 CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 SVFXPTLYMIXFRX-XJKSGUPXSA-N 126280 BRD-K00003177-001-01-9 indeglitazar 0 97.99 MedChemEx HY-14817 Indeglitazar 389.093 COc1ccc(cc1)S(=O)(=O)n1cc(CCC(O)=O)c2cc(OC)ccc12 YMPALHOKRBVHOJ-UHFFFAOYSA-N 11395145 BRD-A59747053-003-01-3 indeloxazine 0 99.26 Sigma PH013704 2-[(1H-inden-7-yloxy)methyl]morpholine hydrochloride 231.126 "C(Oc1cccc2C=CCc12)[C@H]1CNCCO1 |&1:11,c:7|" MADRVGBADLFHMO-GFCCVEGCSA-N 67212739 BRD-K74057757-001-03-9 indibulin 0 98.47 AMS 10069 Indibulin 389.093 Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc23)cc1 SOLIIYNRSAWTSQ-UHFFFAOYSA-N 2929 BRD-K74057757-001-01-9 indibulin 0 97.78 Vitas-M STK783524 389.093 Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc23)cc1 SOLIIYNRSAWTSQ-UHFFFAOYSA-N 2929 BRD-K74057757-001-02-7 indibulin 0 93.63 SantaCruz sc-295179 Indibulin 389.093 Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc23)cc1 SOLIIYNRSAWTSQ-UHFFFAOYSA-N 2929 BRD-K33226500-001-01-0 indinavir 0 97.93 Enzo AC2017 INDINAVIR 613.363 CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 CBVCZFGXHXORBI-PXQQMZJSSA-N 5362440 BRD-K33226500-065-09-8 indinavir 0 MedChemEx HY-B0689A Indinavir (sulfate) 613.363 CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 "InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1" 5362440 BRD-K90948141-001-02-2 indiplon 0 96.75 Tocris 3597 Indiplon 376.099 CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 CBIAWPMZSFFRGN-UHFFFAOYSA-N 6450813 BRD-K90948141-001-01-4 indiplon 0 99.26 Tocris 3597 Indiplon 376.099 CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 CBIAWPMZSFFRGN-UHFFFAOYSA-N 6450813 BRD-K90948141-001-03-9 indiplon 0 97.03 Tocris 3597 Indiplon 376.099 CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 CBIAWPMZSFFRGN-UHFFFAOYSA-N 6450813 BRD-K17894950-001-14-3 indirubin 0 99.41 Selleck S2386 Indirubin 262.074 O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O CRDNMYFJWFXOCH-YPKPFQOOSA-N BRD-K19136521-001-10-9 indirubin-3-monoxime 0 97.75 Tocris 1813 Indirubin-3'-oxime 277.085 O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 HBDSHCUSXQATPO-BGBJRWHRSA-N BRD-K19136521-001-08-9 indirubin-3-monoxime 0 97.67 Tocris 1813 Indirubin-3'-oxime 277.085 O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 HBDSHCUSXQATPO-BGBJRWHRSA-N BRD-K17610631-001-03-3 indisulam 0 98.25 Sigma SML1225 "N~1~-(3-chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide" 384.996 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 SETFNECMODOHTO-UHFFFAOYSA-N 216468 BRD-K42332878-001-01-9 indium-tri(2-propanolate) 0 0 AlfaAesar 42098 indium(III) propan-2-olate 292.053 CC(C)O[In](OC(C)C)OC(C)C OVZUSPADPSOQQN-UHFFFAOYSA-N 57346963 BRD-M08274809-001-01-7 indium(III)-isopropoxide 1 0 AlfaAesar 42098 "Indium(III) isopropoxide, 99.9% (metals basis)" 295.076 [In].CC(C)O.CC(C)O.CC(C)O JUUUERJZVKCDOT-UHFFFAOYSA-N BRD-A16296925-001-01-3 indobufen 0 99.21 AKSci 65627 295.121 "CC[C@@H](C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O |&1:2,r|" AYDXAULLCROVIT-OAHLLOKOSA-N 189556 BRD-K80762071-236-02-5 indocyanine-green 0 80.38 Sigma MFCD00013078 "sodium 4-((2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrienylidene}-1,1-dimethyl-1H-benzo[e]indol-3-yl)-1-butanesulfonate" 753.303 CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |c:11| BDBMLMBYCXNVMC-UHFFFAOYSA-O 9919342 BRD-K80762071-236-03-3 indocyanine-green 0 92.75 MedChemEx HY-D0711 Cardiogreen 753.303 CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |c:11| BDBMLMBYCXNVMC-UHFFFAOYSA-O 9919342 BRD-K80762071-236-01-7 indocyanine-green 0 61.74 MedChemEx HY-D0711 Cardiogreen 753.303 CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |c:11| BDBMLMBYCXNVMC-UHFFFAOYSA-O 9919342 BRD-K01815685-001-15-5 indole-3-carbinol 0 96.69 Selleck S2313 Indole-3-carbinol 147.068 OCc1c[nH]c2ccccc12 IVYPNXXAYMYVSP-UHFFFAOYSA-N 3712 BRD-K09109825-001-07-3 indole-3-pyrubate 0 0 Sigma 57300 3-(1H-indol-3-yl)-2-oxopropanoic acid 203.058 OC(=O)C(O)=Cc1c[nH]c2ccccc12 KDCSRTPNDBPWQZ-UHFFFAOYSA-N 85336038 BRD-K57222227-001-29-3 indomethacin 0 98.25 Tocris 1708 Indomethacin 357.077 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 CGIGDMFJXJATDK-UHFFFAOYSA-N 3715 BRD-K57222227-001-30-1 indomethacin 0 99.45 MicroSource 1500350 INDOMETHACIN 357.077 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 CGIGDMFJXJATDK-UHFFFAOYSA-N 3715 BRD-K57222227-001-28-5 indomethacin 0 98.1 Selleck S1723 Indomethacin 357.077 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 CGIGDMFJXJATDK-UHFFFAOYSA-N 3715 BRD-A44090213-001-25-6 indoprofen 0 99.31 MicroSource 1500351 INDOPROFEN 281.105 "C[C@@H](C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O |&1:1,r|" RJMIEHBSYVWVIN-LLVKDONJSA-N 93283 BRD-A44090213-001-27-9 indoprofen 0 97.98 MedChemEx HY-B1104 Indoprofen 281.105 "C[C@@H](C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O |&1:1,r|" RJMIEHBSYVWVIN-LLVKDONJSA-N 93283 BRD-K76953762-001-09-9 indoramin 0 97.06 Key AF-0013 N-{1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl}benzamide 347.2 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 JXZZEXZZKAWDSP-UHFFFAOYSA-N 33625 BRD-K76953762-001-08-5 indoramin 0 92.44 Maybridge RH01633 347.2 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 JXZZEXZZKAWDSP-UHFFFAOYSA-N 33625 BRD-K93255255-001-02-1 indoximod 0 98.79 Cayman 16456 218.106 Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12 ZADWXFSZEAPBJS-SNVBAGLBSA-N 6920151 BRD-K93255255-001-03-9 indoximod 0 89.88 MedChemEx HY-16724 Indoximod 218.106 Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12 ZADWXFSZEAPBJS-SNVBAGLBSA-N 6920151 BRD-K00003329-001-01-9 ingenol 0 95.71 MedChemEx HY-N0865 Ingenol 348.194 "[H][C@]12C=C(CO)[C@@H](O)[C@]3(O)[C@@H](O)C(C)=C[C@]3([C@H](C)C[C@@H]3[C@H]1C3(C)C)C2=O |c:13,t:2|" VEBVPUXQAPLADL-POYOOMFHSA-N 442042 BRD-K93779381-001-02-9 ingenol-mebutate 0 95.26 MedChemEx HY-B0719 Ingenol Mebutate 430.236 "C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C |c:9,t:18|" VDJHFHXMUKFKET-WDUFCVPESA-N 6918670 BRD-K93779381-001-01-9 ingenol-mebutate 0 97.23 MedChemEx HY-B0719 Ingenol Mebutate 430.236 "C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C |c:9,t:18|" VDJHFHXMUKFKET-WDUFCVPESA-N 6918670 BRD-K70177501-003-01-4 INH1 0 98.19 Tocris 3551 INH1 308.098 Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1 JPMOKRWIYQGMJL-UHFFFAOYSA-N 959043 BRD-K70177501-003-02-9 INH1 0 97.56 Tocris 3551 INH1 308.098 Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1 JPMOKRWIYQGMJL-UHFFFAOYSA-N 959043 BRD-A71407503-001-02-6 inimur 0 86.95 MedChemEx HY-A0059 Nifuratel 285.042 "CSC[C@H]1CN(\N=C\c2ccc(o2)[N+]([O-])=O)C(=O)O1 |&1:3,r|" SRQKTCXJCCHINN-ORMNHXAVSA-N 72165119 BRD-A71407503-001-01-8 inimur 0 75.65 MedChemEx HY-A0059 Nifuratel 285.042 "CSC[C@H]1CN(\N=C\c2ccc(o2)[N+]([O-])=O)C(=O)O1 |&1:3,r|" SRQKTCXJCCHINN-ORMNHXAVSA-N 72165119 BRD-K11153516-001-05-5 iniparib 0 97.59 Selleck S1087 Iniparib (BSI-201) 291.934 NC(=O)c1ccc(I)c(c1)[N+]([O-])=O MDOJTZQKHMAPBK-UHFFFAOYSA-N 9796068 BRD-K79612754-001-22-9 inosine 0 91.3 MedChemEx HY-N0092 Inosine 268.081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O UGQMRVRMYYASKQ-KQYNXXCUSA-N 135398641 BRD-K79612754-001-21-7 inosine 0 87.76 MicroSource 3100024 INOSINE 268.081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O UGQMRVRMYYASKQ-KQYNXXCUSA-N 135398641 BRD-A28787076-001-04-8 BRD-K79612754-001-20-9 inosine 0 77.54 Selleck S2442 Inosine 268.081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O UGQMRVRMYYASKQ-KQYNXXCUSA-N 135398641 BRD-K14210676-001-01-5 BRD-K79612754-001-19-1 inosine 0 94.71 Selleck S2442 Inosine 268.081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O UGQMRVRMYYASKQ-KQYNXXCUSA-N 135398641 BRD-K52618540-001-10-9 inositol 0 100 MedChemEx HY-B1411 i-Inositol 180.063 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CDAISMWEOUEBRE-GPIVLXJGSA-N BRD-K52618540-001-09-9 inositol 0 98.26 MicroSource 1500352 INOSITOL 180.063 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CDAISMWEOUEBRE-GPIVLXJGSA-N BRD-K82800842-001-02-9 inositol-hexanicotinate 0 87.26 Sigma MFCD00006387 INOSITOL NICOTINATE 810.192 O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 MFZCIDXOLLEMOO-GYSGTQPESA-N BRD-K82800842-001-01-9 inositol-hexanicotinate 0 89.29 AKSci H975 810.192 O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 MFZCIDXOLLEMOO-GYSGTQPESA-N BRD-A29125379-314-01-7 INS316 0 0 Enzo AC998 Uridine-5'-triphosphate Na 483.969 "O[C@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |a:2,18,&1:1,&2:5,&3:9,&4:19|" PGAVKCOVUIYSFO-PXBUCIJWSA-N 10368038 BRD-K30968378-001-02-9 INT-747 0 97.7 MedChemEx HY-12222 INT-747 420.324 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 ZXERDUOLZKYMJM-ZWECCWDJSA-N 447715 BRD-K30968378-001-01-9 INT-747 0 98.9 MedChemEx HY-12222 INT-747 420.324 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 ZXERDUOLZKYMJM-ZWECCWDJSA-N 447715 BRD-K33067152-236-01-1 INT-767 0 98.4 MedChemEx HY-12434 INT-767 472.286 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOS(O)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 XGIYOABXZNJOHV-APIYUPOTSA-N 23642339 BRD-K88165431-003-01-4 integrin-antagonist-1 0 93.77 MedChemEx HY-19767A Integrin Antagonist 1 (hydrochloride) 487.295 Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O ZMXBIIQMSGOIRZ-RCZVLFRGSA-N 86272865 BRD-K00004752-001-01-9 INX-08189 0 49.13 AMS I-9801 INX-08189 658.252 [H][C@@](C)(N[P@](=O)(OC[C@@]1([H])O[C@@]([H])(n2cnc3c(OC)nc(N)nc23)[C@](C)(O)[C@]1([H])O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C |r| YFXGICNMLCGLHJ-KGSOWIGMSA-N 49862762 BRD-K43860855-065-10-1 iobenguane 0 92.74 Prestwick Prestw-490 Iobenguane sulfate 274.992 NC(=N)NCc1cccc(I)c1 PDWUPXJEEYOOTR-UHFFFAOYSA-N 60860 BRD-K43860855-065-11-9 iobenguane 0 98.26 Axon 1750 274.992 NC(=N)NCc1cccc(I)c1 PDWUPXJEEYOOTR-UHFFFAOYSA-N 60860 BRD-A37492983-001-10-3 iocetamic-acid 0 85.31 Prestwick Prestw-838 Iocetamic acid 613.806 "C[C@@H](CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O |&1:1,r|" GSVQIUGOUKJHRC-YFKPBYRVSA-N 76964490 BRD-K67261995-001-12-9 iodipamide 0 97.74 MedChemEx HY-B1292 Iodipamide 1139.512 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I FFINMCNLQNTKLU-UHFFFAOYSA-N 3739 BRD-K67261995-001-11-7 iodipamide 0 99.2 MicroSource 1500772 IODIPAMIDE 1139.512 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I FFINMCNLQNTKLU-UHFFFAOYSA-N 3739 BRD-A08660406-001-06-7 iodixanol 0 79.95 Sigma MFCD00867965 "5-{acetyl[3-(acetyl-3,5-bis{[(2,3-dihydroxypropyl)amino]carbonyl}-2,4,6-triiodoanilino)-2-hydroxypropyl]amino}-N~1~,N~3~-bis(2," 1549.713 "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:20,&2:31,&3:45,&4:56,r|" NBQNWMBBSKPBAY-BRSBDYLESA-N 6604448 BRD-A08660406-001-05-9 iodixanol 0 77.52 MicroSource 1503835 IODIXANOL 1549.713 "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:20,&2:31,&3:45,&4:56,r|" NBQNWMBBSKPBAY-BRSBDYLESA-N 6604448 BRD-A08660406-001-07-9 iodixanol 0 58.65 Sigma MFCD00867965 OptiPrep(R) Density Gradient Medium 1549.713 "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:20,&2:31,&3:45,&4:56,r|" NBQNWMBBSKPBAY-BRSBDYLESA-N 6604448 BRD-K69216798-001-01-9 iodoantipyrine 0 98.81 AlfaAesar L14009 "Iodoantipyrine, 99%" 313.992 Cc1c(I)c(=O)n(-c2ccccc2)n1C ZZOBLCHCPLOXCE-UHFFFAOYSA-N 8522 BRD-A46813902-001-02-9 iododexetimide 0 93.55 MedChemEx HY-12426 mAChR-IN-1 488.096 "Ic1ccc(CN2CCC(CC2)[C@]2(CCC(=O)NC2=O)c2ccccc2)cc1 |&1:12,r|" WJLRTFJPHDSXAF-QHCPKHFHSA-N 14479849 BRD-A46813902-001-01-6 iododexetimide 0 96.72 MedChemEx HY-12426 mAChR-IN-1 488.096 "Ic1ccc(CN2CCC(CC2)[C@]2(CCC(=O)NC2=O)c2ccccc2)cc1 |&1:12,r|" WJLRTFJPHDSXAF-QHCPKHFHSA-N 14479849 BRD-K51918615-303-02-9 iodophenpropit 0 95.9 Tocris 779 Iodophenpropit dihydrobromide 414.038 Ic1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1 UBHYDQAARZKHEZ-UHFFFAOYSA-N 3035746 BRD-K75855670-001-15-9 iodoquinol 0 97.07 MedChemEx HY-B1400 Diiodohydroxyquinoline 396.846 Oc1c(I)cc(I)c2cccnc12 UXZFQZANDVDGMM-UHFFFAOYSA-N 3728 BRD-K75855670-001-14-2 iodoquinol 0 88.89 MicroSource 1500353 IODOQUINOL 396.846 Oc1c(I)cc(I)c2cccnc12 UXZFQZANDVDGMM-UHFFFAOYSA-N 3728 BRD-A60217728-001-11-2 iohexol 0 98.79 MicroSource 1502304 IOHEXOL 820.88 "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:5,&2:17,&3:28,r|" NTHXOOBQLCIOLC-GMTAPVOTSA-N 6604427 BRD-A60217728-001-12-9 iohexol 0 99.01 MedChemEx HY-B0594 Iohexol 820.88 "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:5,&2:17,&3:28,r|" NTHXOOBQLCIOLC-GMTAPVOTSA-N 6604427 BRD-K75868704-001-06-9 iopamidol 0 98.4 MedChemEx HY-B0684 Iopamidol 776.854 C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I XQZXYNRDCRIARQ-LURJTMIESA-N 65492 BRD-K75868704-001-05-3 iopamidol 0 100 MedChemEx HY-B0684 Iopamidol 776.854 C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I XQZXYNRDCRIARQ-LURJTMIESA-N 65492 BRD-A42628519-001-12-4 iopanic-acid 0 98.49 MicroSource 1503923 IOPANIC ACID 570.8 "CC[C@@H](Cc1c(I)cc(I)c(N)c1I)C(O)=O |&1:2,r|" OIRFJRBSRORBCM-YFKPBYRVSA-N 12304727 BRD-A42628519-001-13-9 iopanic-acid 0 88.38 MedChemEx HY-B1664 Iopanoic acid 570.8 "CC[C@@H](Cc1c(I)cc(I)c(N)c1I)C(O)=O |&1:2,r|" OIRFJRBSRORBCM-YFKPBYRVSA-N 12304727 BRD-K51956333-001-03-8 iopodic-acid 0 98.86 Vitas-M STL069537 597.811 CN(C)\C=N\c1c(I)cc(I)c(CCC(O)=O)c1I YQNFBOJPTAXAKV-OMCISZLKSA-N BRD-K51956333-003-04-9 iopodic-acid 0 88.84 Vitas-M STL069541 "3-(3-{[(E)-(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid" 597.811 CN(C)\C=N\c1c(I)cc(I)c(CCC(O)=O)c1I YQNFBOJPTAXAKV-OMCISZLKSA-N BRD-A72075775-001-10-4 iopromide 0 56.18 Prestwick Prestw-872 Iopromide 790.87 "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I |&1:14,&2:26,r|" DGAIEPBNLOQYER-RKDXNWHRSA-N 6604433 BRD-A72075775-001-11-2 iopromide 0 64.8 Sigma 1344804 "N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N~1~-methylisophthalamide" 790.87 "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I |&1:14,&2:26,r|" DGAIEPBNLOQYER-RKDXNWHRSA-N 6604433 BRD-A72075775-001-12-9 iopromide 0 53.86 MedChemEx HY-B1362 Iopromide 790.87 "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I |&1:14,&2:26,r|" DGAIEPBNLOQYER-RKDXNWHRSA-N 6604433 BRD-K98250023-001-01-0 iothalamic-acid-d3 0 0 Toronto I736202 Iothalamic Acid-d3 613.77 CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I UXIGWFXRQKWHHA-UHFFFAOYSA-N 3737 BRD-A65818372-001-05-3 ioversol 0 97.06 MicroSource 1503837 IOVERSOL 806.865 "OCCN(C(=O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:16,&2:27,r|" AMDBBAQNWSUWGN-RKDXNWHRSA-N 6604447 BRD-A65818372-001-06-9 ioversol 0 95.9 MedChemEx HY-B1410 Ioversol 806.865 "OCCN(C(=O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:16,&2:27,r|" AMDBBAQNWSUWGN-RKDXNWHRSA-N 6604447 BRD-K84892605-001-02-9 IOWH032 0 96.86 MedChemEx HY-18337 IOWH-032 542.943 Oc1c(Br)cc(cc1Br)-c1noc(n1)C(=O)NCc1ccc(Oc2ccccc2)cc1 DSFNLJXHXBIKDS-UHFFFAOYSA-N 135565181 BRD-K84892605-001-01-1 IOWH032 0 98.55 Selleck S7329 IOWH032 542.943 Oc1c(Br)cc(cc1Br)-c1noc(n1)C(=O)NCc1ccc(Oc2ccccc2)cc1 DSFNLJXHXBIKDS-UHFFFAOYSA-N 135565181 BRD-K70751730-001-11-2 IOX1 0 57.33 Tocris 4464 IOX 1 189.043 OC(=O)c1ccc(O)c2ncccc12 JGRPKOGHYBAVMW-UHFFFAOYSA-N 459617 BRD-K70751730-001-10-4 IOX1 0 87.15 MedChemEx HY-12304 IOX1 189.043 OC(=O)c1ccc(O)c2ncccc12 JGRPKOGHYBAVMW-UHFFFAOYSA-N 459617 BRD-K98251413-001-07-9 IOX2 0 97.46 Tocris 4451 IOX 2 352.106 OC(=O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O CAOSCCRYLYQBES-UHFFFAOYSA-N 54685215 BRD-K98251413-001-06-5 IOX2 0 97.26 Tocris 4451 IOX 2 352.106 OC(=O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O CAOSCCRYLYQBES-UHFFFAOYSA-N 54685215 BRD-K98251413-001-04-0 IOX2 0 97.2 Selleck S2919 IOX2 352.106 OC(=O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O CAOSCCRYLYQBES-UHFFFAOYSA-N 54685215 BRD-K79124250-001-08-9 ioxaglic-acid 0 92.49 Prestwick Prestw-1062 Ioxaglic acid 1268.566 CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I TYYBFXNZMFNZJT-UHFFFAOYSA-N 3742 BRD-K79124250-001-09-9 ioxaglic-acid 0 85.38 Toronto i737400 ioxaglic acid 1268.566 CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I TYYBFXNZMFNZJT-UHFFFAOYSA-N 3742 BRD-A09370961-001-02-9 ioxilan 0 88.58 USP 34520 Ioxilan 790.87 "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:5,&2:26,r|" UUMLTINZBQPNGF-NXEZZACHSA-N 73416261 BRD-A09370961-001-01-0 ioxilan 0 85.72 MicroSource 1503838 IOXILAN 790.87 "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I |&1:5,&2:26,r|" UUMLTINZBQPNGF-NXEZZACHSA-N 73416261 BRD-K38727704-001-02-4 IPA-3 0 0 Tocris 3622 IPA 3 350.044 Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 RFAXLXKIAKIUDT-UHFFFAOYSA-N 521106 BRD-K38727704-001-01-6 IPA-3 0 0 Selleck S7093 IPA-3 350.044 Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 RFAXLXKIAKIUDT-UHFFFAOYSA-N 521106 BRD-K38727704-001-04-9 IPA-3 0 79.92 Tocris 3622 IPA 3 350.044 Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 RFAXLXKIAKIUDT-UHFFFAOYSA-N 521106 BRD-K38727704-001-03-2 IPA-3 0 70.81 Selleck S7093 IPA-3 350.044 Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 RFAXLXKIAKIUDT-UHFFFAOYSA-N 521106 BRD-K82421491-001-04-9 IPAG 0 94.22 Tocris 544 IPAG 395.086 Ic1ccc(NC(=N)NC2C3CC4CC(C3)CC2C4)cc1 UUKPIWYXWLJPJF-UHFFFAOYSA-N 4239764 BRD-K82421491-001-02-6 IPAG 0 95.16 Tocris 544 IPAG 395.086 Ic1ccc(NC(=N)NC2C3CC4CC(C3)CC2C4)cc1 UUKPIWYXWLJPJF-UHFFFAOYSA-N 4239764 BRD-K00003385-001-01-9 IPI549 0 94.19 MedChemEx HY-100716 IPI549 528.202 C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 XUMALORDVCFWKV-IBGZPJMESA-N 91933883 BRD-K66896231-001-08-1 ipidacrine 0 98.46 ChemDiv 8003-7752 188.131 Nc1c2CCCc2nc2CCCCc12 YLUSMKAJIQOXPV-UHFFFAOYSA-N 604519 BRD-K51247865-001-01-2 ipragliflozin-L-proline 0 98.3 MedChemEx HY-14894 Ipragliflozin 404.109 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 AHFWIQIYAXSLBA-RQXATKFSSA-N 10453870 BRD-K51247865-001-02-9 ipragliflozin-L-proline 0 97.2 MedChemEx HY-14894 Ipragliflozin 404.109 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 AHFWIQIYAXSLBA-RQXATKFSSA-N 10453870 BRD-K01826778-004-06-9 ipratropium 0 87.46 Tocris 692 Ipratropium bromide 332.223 "CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1 |a:5,8,10,&1:3,&2:15,TLB:4:3:6.7:9.10.11,THB:1:3:6.7:9.10.11,12:10:3:6.7|" OEXHQOGQTVQTAT-KKKDIUQISA-N BRD-K93618743-001-22-9 ipriflavone 0 91.92 MedChemEx HY-N0094 Ipriflavone 280.11 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O SFBODOKJTYAUCM-UHFFFAOYSA-N 3747 BRD-K93618743-001-21-0 ipriflavone 0 98.07 MicroSource 1400010 IPRIFLAVONE 280.11 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O SFBODOKJTYAUCM-UHFFFAOYSA-N 3747 BRD-K93618743-001-20-2 ipriflavone 0 96.82 Selleck S2422 Ipriflavone (Osteofix) 280.11 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O SFBODOKJTYAUCM-UHFFFAOYSA-N 3747 BRD-K88568253-011-19-9 iproniazid 0 98.08 MicroSource 1500634 IPRONIAZID PHOSPHATE 179.106 CC(C)NNC(=O)c1ccncc1 NYMGNSNKLVNMIA-UHFFFAOYSA-N 3748 BRD-K88568253-011-20-9 iproniazid 0 93.56 MedChemEx HY-B0886 Iproniazid (phosphate) 179.106 CC(C)NNC(=O)c1ccncc1 NYMGNSNKLVNMIA-UHFFFAOYSA-N 3748 BRD-K90574421-001-03-5 ipsapirone 0 93.81 Tocris 1869 Ipsapirone 401.152 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 TZJUVVIWVWFLCD-UHFFFAOYSA-N 56971 BRD-K90574421-001-04-9 ipsapirone 0 96.7 Tocris 1869 Ipsapirone 401.152 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 TZJUVVIWVWFLCD-UHFFFAOYSA-N 56971 BRD-K60038276-001-09-0 irbesartan 0 98.6 MicroSource 1504259 IRBESARTAN 428.232 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4| YOSHYTLCDANDAN-UHFFFAOYSA-N 3749 BRD-K60038276-001-12-9 irbesartan 0 96.43 Tocris 5798 Irbesartan 428.232 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4| YOSHYTLCDANDAN-UHFFFAOYSA-N 3749 BRD-K60038276-001-08-2 irbesartan 0 98.33 Selleck S1507 Irbesartan 428.232 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4| YOSHYTLCDANDAN-UHFFFAOYSA-N 3749 BRD-K00004549-001-01-9 irganox-1010 0 0 Sigma MFCD00059345 "3-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}-2,2-bis({[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)propyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate" 1176.784 CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C BGYHLZZASRKEJE-UHFFFAOYSA-N 64819 BRD-K00003335-001-01-9 iRGD-peptide 0 92.64 MedChemEx HY-P0122 iRGD peptide 947.359 [H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@]([H])(CC(O)=O)NC(=O)CNC(=O)[C@]([H])(CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC2=O)C(O)=O YHTTWXCDIRTOQX-YDZOEDPBSA-N BRD-K08547377-003-06-5 irinotecan 0 90.38 Tocris 2688 CPT 11 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K08547377-003-07-3 irinotecan 0 98.48 MedChemEx HY-16562A irinotecan 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K08547377-003-05-7 irinotecan 0 93.7 MicroSource 1505821 IRINOTECAN HYDROCHLORIDE 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K08547377-001-04-4 irinotecan 0 81.8 Selleck S1198 Irinotecan 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K08547377-003-04-0 irinotecan 0 71.58 Tocris 2688 CPT 11 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K08547377-001-06-9 irinotecan 0 82.28 Selleck S1198 Irinotecan 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K72035773-001-01-7 BRD-K08547377-394-03-5 irinotecan 0 96.59 Selleck S2217 Irinotecan HCl Trihydrate 586.279 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 UWKQSNNFCGGAFS-XIFFEERXSA-N 60838 BRD-K98357249-001-03-9 IRL-2500 0 96.86 Tocris 1838 IRL-2500 573.263 CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 UZDORQWMYRRLQV-JHOUSYSJSA-N 5311192 BRD-K98357249-001-02-9 IRL-2500 0 94.23 Tocris 1838 IRL-2500 573.263 CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 UZDORQWMYRRLQV-JHOUSYSJSA-N 5311192 BRD-K87777313-001-02-2 irosustat 0 0 Sigma S1950 "6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate" 309.067 NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 DSLPMJSGSBLWRE-UHFFFAOYSA-N 5287541 BRD-K74195153-050-13-9 irsogladine 0 97.41 Tocris 2504 Irsogladine maleate 255.008 Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl ATCGGEJZONJOCL-UHFFFAOYSA-N 3752 BRD-K74195153-050-12-1 irsogladine 0 99.31 Tocris 2504 Irsogladine maleate 255.008 Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl ATCGGEJZONJOCL-UHFFFAOYSA-N 3752 BRD-K74195153-050-14-9 irsogladine 0 98.99 Tocris 2504 Irsogladine maleate 255.008 Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl ATCGGEJZONJOCL-UHFFFAOYSA-N 3752 BRD-K74195153-001-04-1 irsogladine 0 98.88 Selleck S1929 Irsogladine 255.008 Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl ATCGGEJZONJOCL-UHFFFAOYSA-N 3752 BRD-K01825673-051-02-9 isamoltane 0 86.61 Tocris 992 Isamoltane hemifumarate 274.168 CC(C)NC[C@@H](O)COc1ccccc1-n1cccc1 |&1:5| XVTVPGKWYHWYAD-CQSZACIVSA-N 6604790 BRD-K01825673-051-01-9 isamoltane 0 89.47 Tocris 992 Isamoltane hemifumarate 390.179 CC(C)NC[C@@H](O)COc1ccccc1-n1cccc1 |&1:5| XVTVPGKWYHWYAD-CQSZACIVSA-N 6604790 BRD-M60365050-051-02-7 BRD-A17009129-001-01-3 isavuconazole 0 98.14 MedChemEx HY-14273 Isavuconazole 437.112 "C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](O)(Cn1cncn1)c1cc(F)ccc1F |a:1,&1:15|" DDFOUSQFMYRUQK-FPTDNZKUSA-N 92043107 BRD-K95957366-001-02-6 isaxonine 0 81.09 MicroSource 1504617 ISAXONINE 137.095 CC(C)Nc1ncccn1 FTCYIGBVOHNHCD-UHFFFAOYSA-N 71169 BRD-K95957366-001-03-9 isaxonine 0 12.51 AMS A104021 N-isopropyl-2-pyrimidinamine 137.095 CC(C)Nc1ncccn1 FTCYIGBVOHNHCD-UHFFFAOYSA-N 71169 BRD-K06762493-001-10-9 isbufylline 0 95.19 Vitas-M STK868787 "1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione" 236.127 CC(C)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 WHUWQSQEVISUMC-UHFFFAOYSA-N 65681 BRD-K06762493-001-08-1 isbufylline 0 97.28 Vitas-M STK868787 236.127 CC(C)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 WHUWQSQEVISUMC-UHFFFAOYSA-N 65681 BRD-K74759733-001-01-9 isepamicin 0 85.6 Carbosynth ISEPAMICIN "(2S)-3-amino-N-((1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl)-2-hydroxypropanamide" 569.291 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@]1(C)O UDIIBEDMEYAVNG-ZKFPOVNWSA-N 3037209 BRD-K74759733-065-01-4 isepamicin 0 95.5 Sigma MFCD01683537 "sulfuric acid compound with (2S)-3-amino-N-((1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycycloh" 569.291 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@]1(C)O UDIIBEDMEYAVNG-ZKFPOVNWSA-N 3037209 BRD-A94055480-001-01-5 ISO-1 0 83.05 Tocris 4288 ISO 1 235.084 "COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1 |&1:5,r,c:7|" AIXMJTYHQHQJLU-SNVBAGLBSA-N 5288525 BRD-A94055480-001-02-9 ISO-1 0 95.84 Tocris 4288 ISO 1 235.084 "COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1 |&1:5,r,c:7|" AIXMJTYHQHQJLU-SNVBAGLBSA-N 5288525 BRD-K96714749-001-01-0 isobutamben 0 99.03 MicroSource 1506196 ISOBUTAMBEN 193.11 CC(C)COC(=O)c1ccc(N)cc1 PUYOAVGNCWPANW-UHFFFAOYSA-N 7176 BRD-K96714749-001-02-9 isobutamben 0 93.47 Sigma MFCD00017110 Isobutyl 4-Aminobenzoate 193.11 CC(C)COC(=O)c1ccc(N)cc1 PUYOAVGNCWPANW-UHFFFAOYSA-N 7176 BRD-K54057105-001-01-2 isobutyramide 1 0 Otava 1375169 87.068 CC(C)C(N)=O WFKAJVHLWXSISD-UHFFFAOYSA-N 68424 BRD-K93332168-001-11-5 isocarboxazid 0 74.82 Sigma MFCD00865409 N'-benzyl-5-methyl-3-isoxazolecarbohydrazide 231.101 Cc1cc(no1)C(=O)NNCc1ccccc1 XKFPYPQQHFEXRZ-UHFFFAOYSA-N 3759 BRD-K93332168-001-10-7 isocarboxazid 0 57.67 Enzo AC3152 ISOCARBOXAZID 231.101 Cc1cc(no1)C(=O)NNCc1ccccc1 XKFPYPQQHFEXRZ-UHFFFAOYSA-N 3759 BRD-K01825590-008-03-9 isoconazole 0 99.12 MedChemEx HY-B1444 Isoconazole (nitrate) 413.986 Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 |&1:5| MPIPASJGOJYODL-GOSISDBHSA-N 25273632 BRD-K01825590-008-02-9 isoconazole 0 98.55 Selleck S2534 Isoconazole nitrate 476.982 Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 |&1:5| MPIPASJGOJYODL-GOSISDBHSA-N 25273632 BRD-K60241851-001-11-9 isodibut 0 99.18 Sigma MFCD00181400 "4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid" 283.084 OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 ZHXRDXTYPCPBTI-UHFFFAOYSA-N 145949 BRD-K60241851-001-10-1 isodibut 0 65.63 Enamine Z56891243 283.084 OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 ZHXRDXTYPCPBTI-UHFFFAOYSA-N 145949 BRD-A24587114-066-21-7 isoetharine 0 58.82 Selleck S4330 Isoetharine Mesylate 239.152 "CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1 |&1:2,&2:7|" HUYWAWARQUIQLE-MFKMUULPSA-N 71466 BRD-A24587114-066-22-5 isoetharine 0 88.34 MicroSource 1505977 ISOETHARINE MESYLATE 239.152 "CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1 |&1:2,&2:7|" HUYWAWARQUIQLE-MFKMUULPSA-N 71466 BRD-A24587114-066-24-1 isoetharine 0 93.37 Selleck S4330 Isoetharine mesylate salt 239.152 "CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1 |&1:2,&2:7|" HUYWAWARQUIQLE-MFKMUULPSA-N 71466 BRD-A24587114-066-23-3 isoetharine 0 94.7 Selleck S4330 isoetharine mesylate 239.152 "CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1 |&1:2,&2:7|" HUYWAWARQUIQLE-MFKMUULPSA-N 71466 BRD-A07704283-001-01-3 isofloxythepin 0 85.83 Specs AE-641/00600032 400.198 "CC(C)c1ccc2Sc3cc(F)ccc3C[C@@H](N3CCN(CCO)CC3)c2c1 |&1:16,r|" XDBMBHVYXPBOPL-OAQYLSRUSA-N 969497 BRD-K29173907-001-09-2 isoflupredone-acetate 0 91.96 Prestwick Prestw-6 Isoflupredone acetate 420.195 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |c:19,t:15|" ZOCUOMKMBMEYQV-GSLJADNHSA-N 224246 BRD-K29173907-001-10-9 isoflupredone-acetate 0 89.14 Toronto i816610 isoflupredone acetate 420.195 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |c:19,t:15|" ZOCUOMKMBMEYQV-GSLJADNHSA-N 224246 BRD-A31564021-001-02-6 isoflurane 1 0 Sigma MFCD00066609 "2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane" 183.971 "FC(F)O[C@@H](Cl)C(F)(F)F |&1:4,r|" PIWKPBJCKXDKJR-PVQJCKRUSA-N 4369440 BRD-A31564021-001-01-8 isoflurane 1 0 Enamine EN300-123043 183.971 "FC(F)O[C@@H](Cl)C(F)(F)F |&1:4,r|" PIWKPBJCKXDKJR-PVQJCKRUSA-N 4369440 BRD-K56575995-001-03-0 isoflurophate 1 0 Sigma MFCD00008873 diisopropyl fluoridophosphate 184.066 CC(C)OP(F)(=O)OC(C)C MUCZHBLJLSDCSD-UHFFFAOYSA-N 5936 BRD-K56575995-001-02-2 isoflurophate 1 0 Sigma MFCD00008873 diisopropyl fluoridophosphate 184.066 CC(C)OP(F)(=O)OC(C)C MUCZHBLJLSDCSD-UHFFFAOYSA-N 5936 BRD-K66480997-003-10-0 isoguvacine 0 100 Tocris 235 Isoguvacine hydrochloride 127.063 OC(=O)C1=CCNCC1 |t:3| KRVDMABBKYMBHG-UHFFFAOYSA-N 7059534 BRD-K66480997-003-11-9 isoguvacine 0 100 Tocris 235 Isoguvacine hydrochloride 127.063 OC(=O)C1=CCNCC1 |t:3| KRVDMABBKYMBHG-UHFFFAOYSA-N 7059534 BRD-A02232681-001-01-8 isoleucine 0 89.82 Enamine Z1270446358 isoleucine 131.095 "CC[C@@H](C)[C@@H](N)C(O)=O |&1:2,&2:4,r|" AGPKZVBTJJNPAG-RFZPGFLSSA-N 76551 BRD-K33583600-001-16-1 isoliquiritigenin 0 90.32 Selleck S2404 Isoliquiritigenin 256.074 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 DXDRHHKMWQZJHT-FPYGCLRLSA-N 638278 BRD-A64743628-001-01-5 isometheptene-mucate 0 81.13 Prestwick Prestw-1023 Isometheptene mucate 141.152 "CN[C@@H](C)CCC=C(C)C |&1:2,r|" XVQUOJBERHHONY-VIFPVBQESA-N 6604597 BRD-M48029916-001-06-6|BRD-M59543297-001-05-3 BRD-K87202646-001-39-9 isoniazid 0 100 MedChemEx HY-B0329 Isoniazid 137.059 NNC(=O)c1ccncc1 QRXWMOHMRWLFEY-UHFFFAOYSA-N 3767 BRD-K87202646-061-05-6 isoniazid 0 68.91 MicroSource 1503381 PASINIAZID 137.059 NNC(=O)c1ccncc1 QRXWMOHMRWLFEY-UHFFFAOYSA-N 3767 BRD-K87202646-001-32-6 isoniazid 0 100 Selleck S1937 Isoniazid 137.059 NNC(=O)c1ccncc1 QRXWMOHMRWLFEY-UHFFFAOYSA-N 3767 BRD-K87202646-001-33-4 isoniazid 0 100 MicroSource 1500355 ISONIAZID 137.059 NNC(=O)c1ccncc1 QRXWMOHMRWLFEY-UHFFFAOYSA-N 3767 BRD-K87202646-061-04-9 isoniazid 0 93.93 Selleck S4404 Pasiniazid 137.059 NNC(=O)c1ccncc1 QRXWMOHMRWLFEY-UHFFFAOYSA-N 3767 BRD-K37851352-001-01-0 isopentyl-4-methoxycinnamate 0 0 Enamine Z212714982 248.141 COc1ccc(\C=C\C(=O)OCCC(C)C)cc1 UBNYRXMKIIGMKK-RMKNXTFCSA-N 1549789 BRD-K37851352-001-02-9 isopentyl-4-methoxycinnamate 0 87.91 Sigma MFCD00583856 ISOPENTYL-4-METHOXYCINNAMATE 248.141 COc1ccc(\C=C\C(=O)OCCC(C)C)cc1 UBNYRXMKIIGMKK-RMKNXTFCSA-N 1549789 BRD-A04322457-003-18-7 isoprenaline 0 0 Selleck S2566 Isoprenaline hydrochloride 211.121 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 |&1:5| JWZZKOKVBUJMES-LLVKDONJSA-N 5808 BRD-A04322457-003-15-3 isoprenaline 0 0 Selleck S2566 Isoprenaline HCl 211.121 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 |&1:5| JWZZKOKVBUJMES-LLVKDONJSA-N 5808 BRD-A04322457-003-17-9 isoprenaline 0 94.79 MicroSource 1500357 ISOPROTERENOL HYDROCHLORIDE 211.121 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 |&1:5| JWZZKOKVBUJMES-LLVKDONJSA-N 5808 BRD-A04322457-003-16-1 isoprenaline 0 81.74 Tocris 1747 Isoproterenol hydrochloride 211.121 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 |&1:5| JWZZKOKVBUJMES-LLVKDONJSA-N 5808 BRD-K14127446-005-23-9 isopropamide-iodide 0 100 USP 1350002 isopropamide iodine 353.259 CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C JTPUMZTWMWIVPA-UHFFFAOYSA-O 3775 BRD-K14127446-005-22-7 isopropamide-iodide 0 97.23 MicroSource 1500356 ISOPROPAMIDE IODIDE 353.259 CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C JTPUMZTWMWIVPA-UHFFFAOYSA-O 3775 BRD-K13409143-001-02-7 isopropyl-myristate 1 0 Sigma MFCD00008982 isopropyl myristate 270.256 CCCCCCCCCCCCCC(=O)OC(C)C AXISYYRBXTVTFY-UHFFFAOYSA-N 8042 BRD-K13409143-001-01-9 isopropyl-myristate 1 0 Acros 41285 270.256 CCCCCCCCCCCCCC(=O)OC(C)C AXISYYRBXTVTFY-UHFFFAOYSA-N 8042 BRD-K30758549-001-02-6 isopropyl-palmitate 1 0 Sigma MFCD00008993 isopropyl palmitate 298.287 CCCCCCCCCCCCCCCC(=O)OC(C)C XUGNVMKQXJXZCD-UHFFFAOYSA-N 8907 BRD-K30758549-001-01-8 isopropyl-palmitate 1 0 TCI P0005 298.287 CCCCCCCCCCCCCCCC(=O)OC(C)C XUGNVMKQXJXZCD-UHFFFAOYSA-N 8907 BRD-K73991644-001-07-9 isoquercitrin 0 91.07 ChemDiv 0407-0014 Hirsutrin 464.095 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O OVSQVDMCBVZWGM-QSOFNFLRSA-N 5280804 BRD-K01826521-001-11-9 "Isoquinoline,-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro," 0 52.65 MedChemEx HY-22385 Salsolidine 207.126 COc1cc2CCN[C@@H](C)c2cc1OC |&1:8| HMYJLVDKPJHJCF-QMMMGPOBSA-N 164752 BRD-K01826521-003-10-9 "Isoquinoline,-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro," 0 98.3 Prestwick Prestw-532 "Isoquinoline, 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro, hydrochloride" 243.103 COc1cc2CCN[C@@H](C)c2cc1OC |&1:8| HMYJLVDKPJHJCF-QMMMGPOBSA-N 164752 BRD-K47178855-001-03-4 isosorbide 0 0 MedChemEx HY-B1469 Isosorbide 146.058 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 KLDXJTOLSGUMSJ-JGWLITMVSA-N 12597 BRD-K47178855-001-02-6 isosorbide 0 0 MedChemEx HY-B1469 Isosorbide 146.058 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 KLDXJTOLSGUMSJ-JGWLITMVSA-N 12597 BRD-K47178855-001-04-2 isosorbide 0 0 Selleck S4204 Isosorbide 146.058 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 KLDXJTOLSGUMSJ-JGWLITMVSA-N 12597 BRD-K57344138-001-01-2 BRD-K47178855-001-01-8 isosorbide 0 0 Selleck S4204 Isosorbide 146.058 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 KLDXJTOLSGUMSJ-JGWLITMVSA-N 12597 BRD-K55853390-001-13-2 isosorbide-dinitrate 0 0 Enamine Z2433066075 "(3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furan-3,6-diyl dinitrate" 236.028 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O MOYKHGMNXAOIAT-JGWLITMVSA-N 6883 BRD-K55853390-001-12-4 isosorbide-dinitrate 0 0 MicroSource 1500358 ISOSORBIDE DINITRATE 236.028 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O MOYKHGMNXAOIAT-JGWLITMVSA-N 6883 BRD-K82225283-001-03-1 isosorbide-mononitrate 0 97.02 MicroSource 1503807 ISOSORBIDE MONONITRATE 191.043 O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O YWXYYJSYQOXTPL-SLPGGIOYSA-N 27661 BRD-K82225283-001-04-9 isosorbide-mononitrate 0 94.1 MedChemEx HY-B0642 Isosorbide mononitrate 191.043 O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O YWXYYJSYQOXTPL-SLPGGIOYSA-N 27661 BRD-A96529864-001-01-3 isosteviol 0 100 ChemDiv N062-0006 318.219 "C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(O)=O)[C@@H]3CC2 |a:1,3,9,10,15,&1:20|" KFVUFODCZDRVSS-XGBBNYNSSA-N 99514 BRD-A02933148-001-01-8 isotiquimide 0 92.3 Enamine Z2380439294 "4-methyl-5,6,7,8-tetrahydro-8-quinolinecarbothioamide" 206.088 "Cc1ccnc2[C@@H](CCCc12)C(N)=S |&1:6,r|" PWPWEYFVLITGNU-SECBINFHSA-N 76961135 BRD-K76723084-001-23-2 isotretinoin 0 39.93 MicroSource 1502013 ISOTRETINON 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |c:4| SHGAZHPCJJPHSC-XFYACQKRSA-N 5282379 BRD-K76723084-001-25-7 isotretinoin 0 46.85 Selleck S1379 Isotretinoin 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |c:4| SHGAZHPCJJPHSC-XFYACQKRSA-N 5282379 BRD-K95366153-001-02-7 BRD-K76723084-001-24-0 isotretinoin 0 51.38 MedChemEx HY-15127 Isotretinoin 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |c:4| SHGAZHPCJJPHSC-XFYACQKRSA-N 5282379 BRD-K76723084-001-22-4 isotretinoin 0 8.86 Selleck S1379 Isotretinoin 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |c:4| SHGAZHPCJJPHSC-XFYACQKRSA-N 5282379 BRD-K90069354-001-04-5 isovaleramide 0 41.57 PrincetonBio OSSL_789699 3-methylbutanamide 101.084 CC(C)CC(N)=O SANOUVWGPVYVAV-UHFFFAOYSA-N 10930 BRD-K90069354-001-01-1 isovaleramide 0 20.52 Selleck S4116 Isovaleramide 101.084 CC(C)CC(N)=O SANOUVWGPVYVAV-UHFFFAOYSA-N 10930 BRD-K90069354-001-02-9 isovaleramide 0 67.62 MicroSource 1506177 ISOVALERAMIDE 101.084 CC(C)CC(N)=O SANOUVWGPVYVAV-UHFFFAOYSA-N 10930 BRD-K90069354-001-03-7 isovaleramide 0 79.17 Selleck S4116 Isovaleramide 101.084 CC(C)CC(N)=O SANOUVWGPVYVAV-UHFFFAOYSA-N 10930 BRD-K92116564-001-01-4 isoxepac 0 99.77 Ark AK-35631 268.074 OC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1 QFGMXJOBTNZHEL-UHFFFAOYSA-N 41448 BRD-A75552914-001-16-8 isoxicam 0 95.11 MicroSource 1503242 ISOXICAM 335.058 CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O |t:12| YYUAYBYLJSNDCX-UHFFFAOYSA-N 54677972 BRD-A75552914-001-15-0 isoxicam 0 97.77 Selleck S4398 Isoxicam 335.058 CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O |t:12| YYUAYBYLJSNDCX-UHFFFAOYSA-N 54677972 BRD-A75552914-001-17-6 isoxicam 0 98.14 Selleck S4398 ISOXICAM 335.058 CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O |t:12| YYUAYBYLJSNDCX-UHFFFAOYSA-N 54677972 BRD-K00003690-003-01-9 isoxsuprine 0 90.9 MedChemEx HY-B1270 Isoxsuprine hydrochloride 301.168 "C[C@@H](COc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1 |&1:13,&2:11,&3:1|" BMUKKTUHUDJSNZ-PMUMKWKESA-N 42066885 BRD-K64881305-001-06-0 ispinesib 0 88.11 Tocris 5408 Ispinesib 516.229 CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 QJZRFPJCWMNVAV-HHHXNRCGSA-N 6851740 BRD-K64881305-001-05-2 ispinesib 0 88.16 Selleck S1452 Ispinesib (SB-715992) 516.229 CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 QJZRFPJCWMNVAV-HHHXNRCGSA-N 6851740 BRD-K64881305-001-03-7 ispinesib 0 82.43 Selleck S1452 Ispinesib (SB-715992) 516.229 CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 QJZRFPJCWMNVAV-HHHXNRCGSA-N 6851740 BRD-A90799790-001-20-7 isradipine 0 93.26 Tocris 2004 Isradipine 371.148 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc2nonc12)C(=O)OC(C)C |r,c:4,9|" HMJIYCCIJYRONP-MRXNPFEDSA-N 13773524 BRD-A90799790-001-19-9 isradipine 0 97.4 MicroSource 2300234 ISRADIPINE 371.148 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc2nonc12)C(=O)OC(C)C |r,c:4,9|" HMJIYCCIJYRONP-MRXNPFEDSA-N 13773524 BRD-A90799790-001-16-5 isradipine 0 95.94 Selleck S1662 Isradipine 371.148 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc2nonc12)C(=O)OC(C)C |r,c:4,9|" HMJIYCCIJYRONP-MRXNPFEDSA-N 13773524 BRD-A90799790-001-17-3 isradipine 0 91.57 Tocris 2004 Isradipine 371.148 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc2nonc12)C(=O)OC(C)C |r,c:4,9|" HMJIYCCIJYRONP-MRXNPFEDSA-N 13773524 BRD-K12826175-001-02-4 ISRIB 0 90.08 MedChemEx HY-12495 ISRIB trans-isomer 450.111 Clc1ccc(OCC(=O)N[C@H]2CC[C@@H](CC2)NC(=O)COc2ccc(Cl)cc2)cc1 |r| HJGMCDHQPXTGAV-IYARVYRRSA-N BRD-K95412502-003-01-5 istaroxime 0 97.6 MedChemEx HY-15718A Istaroxime (hydrochloride) 360.241 C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O MPYLDWFDPHRTEG-PAAYLBSLSA-N 9841834 BRD-K95412502-003-02-9 istaroxime 0 86.4 MedChemEx HY-15718A Istaroxime (hydrochloride) 360.241 C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O MPYLDWFDPHRTEG-PAAYLBSLSA-N 9841834 BRD-K87774949-001-05-4 istradefylline 0 78.61 MedChemEx HY-10888 Istradefylline 384.18 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O IQVRBWUUXZMOPW-PKNBQFBNSA-N 5311037 BRD-K87774949-001-07-0 istradefylline 0 95.36 MedChemEx HY-10888 Istradefylline 384.18 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O IQVRBWUUXZMOPW-PKNBQFBNSA-N 5311037 BRD-K87774949-001-06-2 istradefylline 0 77.01 MedChemEx HY-10888 Istradefylline 384.18 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O IQVRBWUUXZMOPW-PKNBQFBNSA-N 5311037 BRD-K87774949-001-03-9 istradefylline 0 82.52 Selleck S2790 Istradefylline 384.18 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O IQVRBWUUXZMOPW-PKNBQFBNSA-N 5311037 BRD-K87774949-001-04-7 istradefylline 0 83.12 Selleck S2790 Istradefylline (KW-6002) 384.18 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O IQVRBWUUXZMOPW-PKNBQFBNSA-N 5311037 BRD-K53903639-001-04-7 ISX-9 0 89.11 Tocris 4439 ISX 9 234.046 O=C(NC1CC1)c1cc(on1)-c1cccs1 SYENTKHGMVKGAQ-UHFFFAOYSA-N 19582717 BRD-K53903639-001-01-3 ISX-9 0 100 EMDBio 480743 480743.cdx 234.046 O=C(NC1CC1)c1cc(on1)-c1cccs1 SYENTKHGMVKGAQ-UHFFFAOYSA-N 19582717 BRD-K73499906-300-02-9 IT1t 0 81.68 Tocris 4596 IT1t dihydrochloride 406.222 "CC1(C)CN2C(CS\C(NC3CCCCC3)=N\C3CCCCC3)=CSC2=N1 |c:24,28|" OOSUDWRRWZVFEB-UHFFFAOYSA-N 25147749 BRD-K73499906-300-01-0 IT1t 0 77.71 Tocris 4596 IT1t 406.222 "CC1(C)CN2C(CS\C(NC3CCCCC3)=N\C3CCCCC3)=CSC2=N1 |c:24,28|" OOSUDWRRWZVFEB-UHFFFAOYSA-N 25147749 BRD-K67482377-001-01-8 itacitinib 0 96.98 MedChemEx HY-16997 Itacitinib 553.196 Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 KTBSXLIQKWEBRB-UHFFFAOYSA-N 53380437 BRD-A56690687-001-02-9 ITD-1 0 96.52 Tocris 5068 ITD 1 415.215 "CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(cc1)-c1ccccc1)C(=O)CC(C)(C)C2 |&1:11,r,c:5,9|" ULFUJLFTRWWLPO-XMMPIXPASA-N 71512660 BRD-A56690687-001-01-6 ITD-1 0 93.59 Tocris 5068 ITD 1 415.215 "CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(cc1)-c1ccccc1)C(=O)CC(C)(C)C2 |&1:11,r,c:5,9|" ULFUJLFTRWWLPO-XMMPIXPASA-N 71512660 BRD-K60298136-001-03-3 ITE 0 97.76 Tocris 1803 ITE 286.041 COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12 KDDXOGDIPZSCTM-UHFFFAOYSA-N 4668801 BRD-K60298136-001-04-1 ITE 0 97.64 Tocris 1803 ITE 286.041 COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12 KDDXOGDIPZSCTM-UHFFFAOYSA-N 4668801 BRD-K77987496-011-01-9 ITI214 0 95.75 MedChemEx HY-12501A ITI214 507.218 CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3cccc(F)n3)c(Nc3ccccc3)c2C1=O |t:2| BBIPVJCGIASXJB-PKTZIBPZSA-N 42639643 BRD-K96740444-003-09-9 itopride 0 98.7 MedChemEx HY-B0732 Itopride (hydrochloride) 358.189 COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 QQQIECGTIMUVDS-UHFFFAOYSA-N 3792 BRD-K96740444-001-02-1 itopride 0 97.37 MicroSource 1502353 ITOPRIDE HYDROCHLORIDE 358.189 COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 QQQIECGTIMUVDS-UHFFFAOYSA-N 3792 BRD-K00004318-001-01-9 itraconazole 0 96.35 Tocris 5981 Itraconazole 704.239 "CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |&1:26,29,&2:2|" VHVPQPYKVGDNFY-TUJWMRSMSA-N 14179013 BRD-K36515744-001-03-5 ITX3 0 84.43 MedChemEx HY-16663 ITX3 371.109 Cc1cc(\C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1 SJMYMKPBODEZSH-DEDYPNTBSA-N 1362865 BRD-K36515744-001-02-7 ITX3 0 63.44 MedChemEx HY-16663 ITX3 371.109 Cc1cc(\C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1 SJMYMKPBODEZSH-DEDYPNTBSA-N 1362865 BRD-K76911699-003-03-9 ITX5061 0 96.17 MedChemEx HY-19900 ITX5061 583.235 COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C UUROSJLZNDSXRF-UHFFFAOYSA-N 11786594 BRD-K45841694-001-12-5 IU1 0 51.37 Tocris 4088 IU1 300.164 Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 JUWDSDKJBMFLHE-UHFFFAOYSA-N 675434 BRD-K45841694-001-11-7 IU1 0 87.3 Selleck S7134 IU1 300.164 Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 JUWDSDKJBMFLHE-UHFFFAOYSA-N 675434 BRD-K45841694-001-10-9 IU1 0 34.89 Selleck S7134 IU1 300.164 Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 JUWDSDKJBMFLHE-UHFFFAOYSA-N 675434 BRD-K33972682-003-02-9 ivabradine 0 93.97 MedChemEx HY-B0162A Ivabradine (hydrochloride) 468.262 COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ACRHBAYQBXXRTO-OAQYLSRUSA-N 132999 BRD-K52818472-001-03-9 ivacaftor 0 99.16 MedChemEx HY-13017 Ivacaftor 392.21 CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C PURKAOJPTOLRMP-UHFFFAOYSA-N 16220172 BRD-K52818472-001-02-2 ivacaftor 0 98.82 Selleck S1144 Ivacaftor (VX-770) 392.21 CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C PURKAOJPTOLRMP-UHFFFAOYSA-N 16220172 BRD-K85554912-001-08-9 ivermectin 0 94.01 MicroSource 1300027 IVERMECTIN 874.508 "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|" AZSNMRSAGSSBNP-XPNPUAGNSA-N 6321424 BRD-A48570745-001-02-9 BRD-K85554912-001-05-5 ivermectin 0 92 Tocris 1260 Ivermectin 874.508 "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|" AZSNMRSAGSSBNP-XPNPUAGNSA-N 6321424 BRD-M44211600-001-01-6 BRD-K85554912-001-09-9 ivermectin 0 87.84 Tocris 1260 Ivermectin 874.508 "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|" AZSNMRSAGSSBNP-XPNPUAGNSA-N 6321424 BRD-K85554912-001-06-3 ivermectin 0 93.9 Selleck S1351 Ivermectin 874.508 "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|" AZSNMRSAGSSBNP-XPNPUAGNSA-N 6321424 BRD-K85554912-001-07-1 ivermectin 0 89.31 Selleck S1351 Ivermectin 874.508 "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|" AZSNMRSAGSSBNP-XPNPUAGNSA-N 6321424 BRD-K71544586-001-01-6 BRD-K93073858-001-01-1 ivosidenib 0 97.39 MedChemEx HY-18767 Ivosidenib 582.139 Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N WIJZXSAJMHAVGX-DHLKQENFSA-N 71657455 BRD-K53234107-001-02-9 IWP-L6 0 97.09 Tocris 4992 IWP L6 472.103 O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccccc1 QESQGTFWEQMCMH-UHFFFAOYSA-N 71601111 BRD-K53234107-001-01-6 IWP-L6 0 95.25 Selleck S7301 IWP-L6 472.103 O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccccc1 QESQGTFWEQMCMH-UHFFFAOYSA-N 71601111 BRD-K03601870-001-02-9 ixabepilone 0 95.66 MedChemEx HY-10222 Ixabepilone 506.281 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 FABUFPQFXZVHFB-QBNZTRRJSA-N BRD-K03601870-001-01-2 ixabepilone 0 98.98 MedChemEx HY-10222 Ixabepilone 506.281 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\c1csc(C)n1 FABUFPQFXZVHFB-QBNZTRRJSA-N BRD-K78659596-001-11-9 ixazomib 0 99.3 MedChemEx HY-10453 Ixazomib 360.081 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O MXAYKZJJDUDWDS-LBPRGKRZSA-N 25183872 BRD-K78659596-001-03-9 ixazomib 0 93.99 Selleck S2180 MLN2238 360.081 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O MXAYKZJJDUDWDS-LBPRGKRZSA-N 25183872 BRD-A66419424-001-02-4 ixazomib-citrate 0 92.47 Selleck S2181 MLN9708 516.087 "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C[C@@](CC(O)=O)(O1)C(O)=O |a:4,&1:25|" YTXSYWAKVMZICI-VBKZILBWSA-N 69040311 BRD-A66419424-001-03-2 ixazomib-citrate 0 0 Selleck S2181 MLN9708 516.087 "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C[C@@](CC(O)=O)(O1)C(O)=O |a:4,&1:25|" YTXSYWAKVMZICI-VBKZILBWSA-N 69040311 BRD-K00004699-001-01-9 J147 0 89.09 AMS O33973 J147 350.124 COc1cccc(\C=N\N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1 HYMZAYGFKNNHDN-SSDVNMTOSA-N 25229652 BRD-K95676198-001-06-9 JAK3-inhibitor-V 0 61.67 Tocris 1366 ZM 449829 182.073 C=CC(=O)c1ccc2ccccc2c1 FOTCGZPFSUWZBN-UHFFFAOYSA-N 3799 BRD-K95676198-001-05-9 JAK3-inhibitor-V 0 0 Tocris 1366 ZM 449829 182.073 C=CC(=O)c1ccc2ccccc2c1 FOTCGZPFSUWZBN-UHFFFAOYSA-N 3799 BRD-K00003271-001-01-9 JD-5037 0 100 MedChemEx HY-18697 JD-5037 571.121 CC(C)[C@H](\N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |c:21| GTCSIQFTNPTSLO-RPWUZVMVSA-N 66553204 BRD-K95837862-300-03-9 JDTic 0 94.46 MedChemEx HY-10487 JDTic (dihydrochloride) 465.299 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZLVXBBHTMQJRSX-VMGNSXQWSA-N 9956146 BRD-K95837862-300-01-7 JDTic 0 91.5 MedChemEx HY-10487 JDTic (dihydrochloride) 465.299 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZLVXBBHTMQJRSX-VMGNSXQWSA-N 9956146 BRD-K32892871-003-01-7 JHW-007 0 89.23 Tocris 4351 JHW 007 hydrochloride 385.222 CCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 HZEVDVGPBUFIAW-JKHIJQBDSA-N BRD-K32892871-003-02-9 JHW-007 0 92.32 Tocris 4351 JHW 007 hydrochloride 385.222 CCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 HZEVDVGPBUFIAW-JKHIJQBDSA-N BRD-K00003209-001-01-9 JI-101 0 99.03 MedChemEx HY-16265 JI-101 465.08 COc1ccc(Br)cc1NC(=O)Nc1cccc2n(Cc3ccnc(N)c3)ccc12 ZXBFYBLSJMEBEP-UHFFFAOYSA-N 11691242 BRD-K76180386-001-04-9 JIB04 0 85.13 Tocris 4972 JIB 04 308.083 Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 YHHFKWKMXWRVTJ-OQKWZONESA-N 6519698 BRD-K76180386-001-03-2 JIB04 0 25.34 Tocris 4972 JIB 04 308.083 Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 YHHFKWKMXWRVTJ-OQKWZONESA-N 6519698 BRD-K76180386-001-01-6 JIB04 0 94.7 Selleck S7281 JIB-04 308.083 Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 YHHFKWKMXWRVTJ-OQKWZONESA-N 6519698 BRD-K76180386-001-02-4 JIB04 0 84.7 Selleck S7281 JIB04 (NSC693627) 308.083 Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 YHHFKWKMXWRVTJ-OQKWZONESA-N 6519698 BRD-K38860038-001-03-8 JK-184 0 81.15 Tocris 3341 "N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine" 350.12 CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1 ROYXIPOUVGDTAO-UHFFFAOYSA-N 1069686 BRD-K38860038-001-02-0 JK-184 0 63.33 Tocris 3341 JK 184 350.12 CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1 ROYXIPOUVGDTAO-UHFFFAOYSA-N 1069686 BRD-K38860038-001-01-2 JK-184 0 77.77 Tocris 3341 JK 184 350.12 CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1 ROYXIPOUVGDTAO-UHFFFAOYSA-N 1069686 BRD-K22010301-001-04-6 JLK-6 0 0 Tocris 2677 JLK 6 225.019 COc1oc(=O)c2cc(N)ccc2c1Cl AMDGKLWVCUXONP-UHFFFAOYSA-N 3803 BRD-K22010301-001-05-9 JLK-6 0 Tocris 2677 JLK 6 225.019 COc1oc(=O)c2cc(N)ccc2c1Cl AMDGKLWVCUXONP-UHFFFAOYSA-N 3803 BRD-K15086322-050-02-1 JNJ-10191584 0 89.86 Tocris 2441 JNJ 10191584 maleate 278.093 CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 MOIWSUQWIOVGRH-UHFFFAOYSA-N 10446295 BRD-K15086322-050-01-3 JNJ-10191584 0 99.26 Tocris 2441 JNJ 10191584 maleate 278.093 CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 MOIWSUQWIOVGRH-UHFFFAOYSA-N 10446295 BRD-K15086322-050-03-9 JNJ-10191584 0 97.9 Tocris 2441 JNJ 10191584 maleate 278.093 CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 MOIWSUQWIOVGRH-UHFFFAOYSA-N 10446295 BRD-K61721596-001-02-8 JNJ-10397049 0 90.72 Tocris 4317 JNJ 10397049 481.984 CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 RBKIJGLHFFQHBE-IRXDYDNUSA-N 9869934 BRD-K61721596-001-01-0 JNJ-10397049 0 98.74 Tocris 4317 JNJ 10397049 481.984 CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 RBKIJGLHFFQHBE-IRXDYDNUSA-N 9869934 BRD-K25596805-001-02-6 JNJ-16259685 0 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FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 JFRYYGVYCWYIDQ-UHFFFAOYSA-N 11339118 BRD-K51770398-001-01-9 JNJ-17203212 0 94.57 Tocris 3361 JNJ 17203212 419.118 FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 JFRYYGVYCWYIDQ-UHFFFAOYSA-N 11339118 BRD-K51770398-001-03-9 JNJ-17203212 0 83.01 Tocris 3361 JNJ 17203212 419.118 FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 JFRYYGVYCWYIDQ-UHFFFAOYSA-N 11339118 BRD-K83837640-001-04-8 JNJ-26481585 0 91.72 Selleck S1096 Quisinostat (JNJ-26481585) 394.212 Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 PAWIYAYFNXQGAP-UHFFFAOYSA-N 11538455 BRD-K83837640-001-05-9 JNJ-26481585 0 94.04 MedChemEx HY-15433 Quisinostat 394.212 Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 PAWIYAYFNXQGAP-UHFFFAOYSA-N 11538455 BRD-K24864897-001-01-0 JNJ-26990990 0 93.07 Enamine Z741322800 N-(1-benzothien-3-ylmethyl)sulfamide 242.018 NS(=O)(=O)NCc1csc2ccccc12 AWSKBQNOSRREEY-UHFFFAOYSA-N 11687376 BRD-K41895652-001-02-9 JNJ-27141491 0 92.79 Tocris 5176 JNJ 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COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 KRIKILRRJCIWNB-UHFFFAOYSA-N 16013152 BRD-K75664313-001-03-4 JW-74 0 96.1 Tocris 5653 JW 74 456.137 COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 KRIKILRRJCIWNB-UHFFFAOYSA-N 16013152 BRD-K05464208-001-08-1 JX-401 0 93.84 Tocris 2657 JX 401 355.161 COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 OMGLGPKQUFSRNN-UHFFFAOYSA-N 1126109 BRD-K05464208-001-05-7 JX-401 0 98.22 Tocris 2657 JX 401 355.161 COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 OMGLGPKQUFSRNN-UHFFFAOYSA-N 1126109 BRD-K45446451-001-06-8 JZL-184 0 96.24 Tocris 3836 JZL 184 520.148 OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 SEGYOKHGGFKMCX-UHFFFAOYSA-N 25021165 BRD-K45446451-001-05-0 JZL-184 0 94.17 Selleck S4904 JZL184 520.148 OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 SEGYOKHGGFKMCX-UHFFFAOYSA-N 25021165 BRD-K38875233-001-04-9 JZL-195 0 96.92 Tocris 4715 JZL 195 433.164 [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 QNYRAEKLMNDRFY-UHFFFAOYSA-N 46232606 BRD-K38875233-001-03-9 JZL-195 0 98.35 Tocris 4715 JZL 195 433.164 [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 QNYRAEKLMNDRFY-UHFFFAOYSA-N 46232606 BRD-A74648924-001-02-3 K-247 0 62.72 ChemBridge 5493356 269.09 "OC[C@H]1O[C@@H](Nc2ccc(cc2)C(O)=O)[C@@H](O)[C@@H]1O |&1:2,&2:4,&3:15,&4:17,r|" QNUBRHYSSHJWDH-CHWFTXMASA-N 25767227 BRD-A67748489-001-10-0 K-858 0 98.42 Tocris 3703 K 858 277.088 "CC(=O)NC1=NN(C(C)=O)[C@@](C)(S1)c1ccccc1 |&1:10,r,t:4|" JEFVYQYZCAVNTP-ZDUSSCGKSA-N 686905 BRD-A45906415-001-01-9 K-MAP 0 92.13 ChemBridge 5728441 299.101 "OC[C@H]1O[C@@H](Nc2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |&1:2,&2:4,&3:15,&4:17,&5:19,r|" VXMVXDITZWJXJN-LDMBFOFVSA-N 40510055 BRD-K90756851-001-01-1 K-Ras(G12C)-inhibitor-12 0 82.19 MedChemEx HY-18707 K-Ras(G12C) inhibitor 12 449 Oc1cc(Cl)c(I)cc1NCC(=O)N1CCN(CC1)C(=O)C=C JFIFBWVNHLXJFY-UHFFFAOYSA-N 73555129 BRD-K90756851-001-02-9 K-Ras(G12C)-inhibitor-12 0 61.99 MedChemEx HY-18707 K-Ras(G12C) inhibitor 12 449 Oc1cc(Cl)c(I)cc1NCC(=O)N1CCN(CC1)C(=O)C=C JFIFBWVNHLXJFY-UHFFFAOYSA-N 73555129 BRD-K26305185-001-01-3 K-Ras(G12C)-inhibitor-6 0 74.16 Selleck S7333 K-Ras(G12C) inhibitor 6 404.073 SCCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl ZPXCEHMKUTXHRZ-UHFFFAOYSA-N 71815954 BRD-K26305185-001-02-1 K-Ras(G12C)-inhibitor-6 0 94.21 Selleck S7333 K-Ras(G12C) inhibitor 6 404.073 SCCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl ZPXCEHMKUTXHRZ-UHFFFAOYSA-N 71815954 BRD-K26305185-001-03-9 K-Ras(G12C)-inhibitor-6 0 47.32 Selleck S7333 K-Ras(G12C) inhibitor 6 404.073 SCCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl ZPXCEHMKUTXHRZ-UHFFFAOYSA-N 71815954 BRD-K84595254-001-15-4 K-strophanthidin 0 92.93 Sigma S6626-250MG Strophanthidin 404.22 C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:27| ODJLBQGVINUMMR-HZXDTFASSA-N 6185 BRD-K58568447-001-03-7 K02288 0 98.95 MedChemEx HY-12278 K02288 352.142 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 CJLMANFTWLNAKC-UHFFFAOYSA-N 46173038 BRD-K58568447-001-02-9 K02288 0 99.48 Tocris 4986 K 02288 352.142 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 CJLMANFTWLNAKC-UHFFFAOYSA-N 46173038 BRD-K58568447-001-01-1 K02288 0 98.16 Selleck S7359 K02288 352.142 COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 CJLMANFTWLNAKC-UHFFFAOYSA-N 46173038 BRD-K12106308-003-01-9 K145 0 87.48 MedChemEx HY-15779A K145 (hydrochloride) 348.151 CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1 MPZXLTZVPUSTFY-SOFYXZRVSA-N 71714682 BRD-K12807006-001-18-5 kaempferol 0 91.45 Tocris 3603 Kaempferol 286.048 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O IYRMWMYZSQPJKC-UHFFFAOYSA-N 5280863 BRD-K12807006-001-17-7 kaempferol 0 87.47 Selleck S2314 Kaempferol 286.048 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O IYRMWMYZSQPJKC-UHFFFAOYSA-N 5280863 BRD-K12807006-001-22-9 kaempferol 0 95.47 Tocris 3603 Kaempferol 286.048 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O IYRMWMYZSQPJKC-UHFFFAOYSA-N 5280863 BRD-K12807006-001-19-3 kaempferol 0 97.71 Selleck S2314 Kaempferol 286.048 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O IYRMWMYZSQPJKC-UHFFFAOYSA-N 5280863 BRD-K00004578-001-01-9 KAF-156 0 93.34 Astatech H11185 "2-AMINO-1-[2-(4-FLUOROPHENYL)-3-[(4-FLUOROPHENYL)AMINO]-5,6-DIHYDRO-8,8-DIMETHYLIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL]ETHANONE" 411.187 CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN BUPRVECGWBHCQV-UHFFFAOYSA-N 49856296 BRD-K52459018-001-09-1 kainic-acid 0 100 Tocris 222 Kainic acid 213.1 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O VLSMHEGGTFMBBZ-OOZYFLPDSA-N 44338126 BRD-K52459018-001-10-9 kainic-acid 0 100 Tocris 222 Kainic acid 213.1 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O VLSMHEGGTFMBBZ-OOZYFLPDSA-N 44338126 BRD-A07815743-001-01-1 kakonein 0 97.6 Vitas-M STL146384 416.111 "OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O |&1:2,&2:4,&3:5,&4:7,&5:9,r|" HKEAFJYKMMKDOR-YAJUCGGBSA-N 25790885 BRD-K08327065-065-05-0 kanamycin 0 0 MedChemEx HY-16566A Kanamycin (sulfate) 484.238 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O SBUJHOSQTJFQJX-NOAMYHISSA-N 6032 BRD-K08327065-065-04-3 kanamycin 0 0 MedChemEx HY-16566A Kanamycin (sulfate) 484.238 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O SBUJHOSQTJFQJX-NOAMYHISSA-N 6032 BRD-K08327065-065-06-8 kanamycin 0 0 MicroSource 1500360 KANAMYCIN A SULFATE 484.238 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O SBUJHOSQTJFQJX-NOAMYHISSA-N 6032 BRD-A53533407-065-04-9 BRD-K00003176-001-01-9 karenitecin 0 95.49 MedChemEx HY-14812 Karenitecin 448.182 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(CC[Si](C)(C)C)c3Cn1c2=O POADTFBBIXOWFJ-VWLOTQADSA-N 148202 BRD-K27584835-001-02-9 kartogenin 0 94.22 Tocris 4513 Kartogenin 317.105 OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1 SLUINPGXGFUMLL-UHFFFAOYSA-N 2826191 BRD-K27584835-001-01-6 kartogenin 0 71.07 Tocris 4513 Kartogenin 317.105 OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1 SLUINPGXGFUMLL-UHFFFAOYSA-N 2826191 BRD-K91644281-311-02-9 kasugamycin 0 100 MedChemEx HY-B1864B Kasugamycin (hydrochloride hydrate) 379.159 C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O PVTHJAPFENJVNC-MHRBZPPQSA-N BRD-K17743697-066-04-4 KB-R7943 0 91.38 Tocris 1244 KB-R7943 mesylate 331.099 NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1 UMJUNUMSJDTYTM-UHFFFAOYSA-N 4534086 BRD-K17743697-066-05-9 KB-R7943 0 95.96 Tocris 1244 KB-R7943 mesylate 331.099 NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1 UMJUNUMSJDTYTM-UHFFFAOYSA-N 4534086 BRD-K17743697-066-03-6 KB-R7943 0 92.36 Tocris 1244 KB-R7943 mesylate 331.099 NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1 UMJUNUMSJDTYTM-UHFFFAOYSA-N 4534086 BRD-K88154110-001-02-9 KB-SRC-4 0 96.96 Tocris 4660 KB SRC 4 554.173 Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(c1)-c1ccccc1 UHIZYQVRKSWIFO-UHFFFAOYSA-N 73349077 BRD-K88154110-001-01-0 KB-SRC-4 0 98.82 Tocris 4660 KB SRC 4 554.173 Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(c1)-c1ccccc1 UHIZYQVRKSWIFO-UHFFFAOYSA-N 73349077 BRD-A00376169-001-01-6 KBG 0 97.5 SantaCruz sc-284473 268.095 "O[C@H]1O[C@@H]2CO[C@@H](O[C@H]2[C@H](O)[C@H]1O)c1ccccc1 |a:3,8,9,11,&1:1,&2:6|" FOLRUCXBTYDAQK-PTEOKISQSA-N 92461199 BRD-K71164191-001-01-0 KD-023 0 100 EMDBio 613450-5MG TOFA 324.23 CCCCCCCCCCCCCCOc1ccc(o1)C(O)=O CZRCFAOMWRAFIC-UHFFFAOYSA-N 115175 BRD-K88506063-001-01-8 KD025 0 97.3 MedChemEx HY-15307 SLx-2119 452.196 CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3n[nH]cc3c2)c2ccccc2n1 GKHIVNAUVKXIIY-UHFFFAOYSA-N 11950170 BRD-K88506063-001-02-9 KD025 0 98.4 MedChemEx HY-15307 SLx-2119 452.196 CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3n[nH]cc3c2)c2ccccc2n1 GKHIVNAUVKXIIY-UHFFFAOYSA-N 11950170 BRD-K37312348-001-17-6 kenpaullone 0 95.83 Tocris 1398 Kenpaullone 326.005 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 QQUXFYAWXPMDOE-UHFFFAOYSA-N 3820 BRD-K37312348-001-15-0 kenpaullone 0 96.42 Tocris 1398 Kenpaullone 326.005 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 QQUXFYAWXPMDOE-UHFFFAOYSA-N 3820 BRD-K49671696-046-01-8 ketanserin 0 96.67 MicroSource 1505346 KETANSERIN TARTRATE 395.165 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 FPCCSQOGAWCVBH-UHFFFAOYSA-N 3822 BRD-K49671696-045-09-9 ketanserin 0 96 Tocris 908 Ketanserin tartrate 395.165 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 FPCCSQOGAWCVBH-UHFFFAOYSA-N 3822 BRD-K49671696-045-08-5 ketanserin 0 98.5 Tocris 908 Ketanserin tartrate 395.165 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 FPCCSQOGAWCVBH-UHFFFAOYSA-N 3822 BRD-K49671696-001-05-4 ketanserin 0 95.74 Selleck S2232 Ketanserin 395.165 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 FPCCSQOGAWCVBH-UHFFFAOYSA-N 3822 BRD-K29113274-001-26-7 ketoconazole 0 75.16 Selleck S1353 530.149 "CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |&1:15,18|" XMAYWYJOQHXEEK-ZEQKJWHPSA-N 47576 BRD-K29113274-001-28-3 ketoconazole 0 84.13 Selleck S1353 530.149 "CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |&1:15,18|" XMAYWYJOQHXEEK-ZEQKJWHPSA-N 47576 BRD-K29113274-001-27-5 ketoconazole 0 95.63 Tocris 1103 530.149 "CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |&1:15,18|" XMAYWYJOQHXEEK-ZEQKJWHPSA-N 47576 BRD-K29113274-001-30-9 ketoconazole 0 96.08 Tocris 1103 Ketoconazole 530.149 "CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |&1:15,18|" XMAYWYJOQHXEEK-ZEQKJWHPSA-N 47576 BRD-K00003341-001-01-9 ketohexokinase-inhibitor-1 0 86.61 MedChemEx HY-U00461 Ketohexokinase inhibitor 1 356.146 [H][C@@]12CN(C[C@]1([H])[C@H]2CC(O)=O)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F MDUYWDNWFXSMJJ-XWLWVQCSSA-N BRD-A97739905-001-26-5 ketoprofen 0 99.39 MicroSource 1501215 KETOPROFEN 254.094 "C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 |&1:1,r|" DKYWVDODHFEZIM-LLVKDONJSA-N 180540 BRD-A97739905-001-25-7 ketoprofen 0 97.54 Selleck S1645 Ketoprofen 254.094 "C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 |&1:1,r|" DKYWVDODHFEZIM-LLVKDONJSA-N 180540 BRD-A97739905-001-29-9 ketoprofen 0 99.11 MedChemEx HY-B0227 Ketoprofen 254.094 "C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 |&1:1,r|" DKYWVDODHFEZIM-LLVKDONJSA-N 180540 BRD-K01825750-234-03-9 ketorolac 0 90.34 MedChemEx HY-B0138 Ketorolac (tromethamine salt) 255.09 "OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 |&1:3,r|" OZWKMVRBQXNZKK-NSHDSACASA-N 181817 BRD-K01825750-001-01-9 ketorolac 0 95.72 Selleck S1646 Ketorolac 255.09 "OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 |&1:3,r|" OZWKMVRBQXNZKK-NSHDSACASA-N 181817 BRD-K28936863-051-32-2 ketotifen 0 97.31 Tocris 784 Ketotifen fumarate 309.119 CN1CCC(CC1)=C1c2ccsc2C(O)=Cc2ccccc12 |c:16| OVJRNFMIYGGLDL-UHFFFAOYSA-N 57392700 BRD-K28936863-051-33-0 ketotifen 0 98.24 MicroSource 1500668 KETOTIFEN FUMARATE 309.119 CN1CCC(CC1)=C1c2ccsc2C(O)=Cc2ccccc12 |c:16| OVJRNFMIYGGLDL-UHFFFAOYSA-N 57392700 BRD-K28936863-051-31-4 ketotifen 0 95.79 Selleck S2024 Ketotifen Fumarate 309.119 CN1CCC(CC1)=C1c2ccsc2C(O)=Cc2ccccc12 |c:16| OVJRNFMIYGGLDL-UHFFFAOYSA-N 57392700 BRD-K61339991-003-01-8 kevetrin 0 95.3 MedChemEx HY-16271 Kevetrin (hydrochloride) 143.052 NC(=N)SCCCC#N PRDJGNVQBVXXEO-UHFFFAOYSA-N 437740 BRD-A54927599-001-17-7 KF-38789 0 80.18 Tocris 2748 KF 38789 375.114 "COc1ccc([C@H]2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |&1:6,r,c:8|" NHFIAAAMCYVRIW-QGZVFWFLSA-N 135565372 BRD-A54927599-001-16-9 KF-38789 0 92.1 Tocris 2748 KF 38789 375.114 "COc1ccc([C@H]2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |&1:6,r,c:8|" NHFIAAAMCYVRIW-QGZVFWFLSA-N 135565372 BRD-A54927599-001-18-9 KF-38789 0 93.49 Tocris 2748 KF 38789 375.114 "COc1ccc([C@H]2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |&1:6,r,c:8|" NHFIAAAMCYVRIW-QGZVFWFLSA-N 135565372 BRD-K90747162-001-02-9 KG-5 0 99.59 Tocris 5260 KG 5 459.109 CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1 CMYHZFCJPORPHY-UHFFFAOYSA-N 53328059 BRD-K90747162-001-01-4 KG-5 0 96.24 Tocris 5260 KG 5 459.109 CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1 CMYHZFCJPORPHY-UHFFFAOYSA-N 53328059 BRD-K66430217-001-03-8 KH-CB19 0 54.76 MedChemEx HY-12828 KH-CB19 337.038 CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C DXZRBHUCOHBAHP-UHFFFAOYSA-N 91899919 BRD-K80353807-001-24-6 khellin 0 42.25 MicroSource 210866 KHELLIN 260.068 COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 HSMPDPBYAYSOBC-UHFFFAOYSA-N 3828 BRD-K80353807-001-25-3 khellin 0 99.43 Sigma 60730 "4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one" 260.068 COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12 HSMPDPBYAYSOBC-UHFFFAOYSA-N 3828 BRD-K84605263-003-01-6 KHK-IN-1 0 93.66 MedChemEx HY-12841A KHK-IN-1 (hydrochloride) 422.2 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 HFLMLZKGLUEWBU-UHFFFAOYSA-N 53348216 BRD-K78978711-003-03-9 KHS-101 0 97.85 Tocris 4888 KHS 101 hydrochloride 339.152 CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 DGRJOOOHPBSAHD-UHFFFAOYSA-N 71304818 BRD-K78978711-003-01-3 KHS-101 0 97.05 Tocris 4888 KHS 101 hydrochloride 339.152 CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 DGRJOOOHPBSAHD-UHFFFAOYSA-N 71304818 BRD-A25569250-001-03-3 KI-16425 0 96.73 Selleck S1315 Ki16425 474.102 "C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl |&1:1,r|" LLIFMNUXGDHTRO-OAHLLOKOSA-N 40467027 BRD-A88787317-001-02-9 KI-20227 0 97.43 Tocris 4481 Ki 20227 480.147 "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N[C@@H](C)c1nccs1 |&1:27,r|" SHPFDGWALWEPGS-AWEZNQCLSA-N 57881591 BRD-A88787317-001-01-0 KI-20227 0 97.77 Tocris 4481 Ki 20227 480.147 "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N[C@@H](C)c1nccs1 |&1:27,r|" SHPFDGWALWEPGS-AWEZNQCLSA-N 57881591 BRD-K47150025-001-06-1 KI-8751 0 95.83 Tocris 2542 Ki 8751 469.125 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC LFKQSJNCVRGFCC-UHFFFAOYSA-N 11317348 BRD-K47150025-001-05-3 KI-8751 0 97.42 Selleck S1363 Ki8751 469.125 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC LFKQSJNCVRGFCC-UHFFFAOYSA-N 11317348 BRD-K47150025-001-09-5 KI-8751 0 95.94 Tocris 2542 Ki 8751 469.125 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC LFKQSJNCVRGFCC-UHFFFAOYSA-N 11317348 BRD-A94323479-001-02-8 ki16198 0 96.6 Selleck S2906 Ki16198 488.117 "COC(=O)CCSCc1ccc(cc1)-c1onc(C)c1NC(=O)O[C@@H](C)c1ccccc1Cl |&1:24,r|" HHVJBROTJWPHHX-INIZCTEOSA-N 92461210 BRD-A94323479-001-03-6 ki16198 0 96.41 Selleck S2906 Ki16198 488.117 "COC(=O)CCSCc1ccc(cc1)-c1onc(C)c1NC(=O)O[C@@H](C)c1ccccc1Cl |&1:24,r|" HHVJBROTJWPHHX-INIZCTEOSA-N 92461210 BRD-K02898090-001-02-7 kifunensine 0 100 EMDBio 422500-1MG "Kifunensine, Kitasatosporia kifunense" 232.07 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N12 OIURYJWYVIAOCW-PQMKYFCFSA-N 130611 BRD-K02898090-001-04-9 kifunensine 0 100 Tocris 3207 Kifunensine 232.07 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N12 OIURYJWYVIAOCW-PQMKYFCFSA-N 130611 BRD-K65667145-001-14-0 kinetin 0 98.18 Selleck S2316 Kinetin 215.081 C(Nc1ncnc2nc[nH]c12)c1ccco1 QANMHLXAZMSUEX-UHFFFAOYSA-N 3830 BRD-A94580299-001-11-9 KL-001 0 96.92 Tocris 4685 KL 001 398.13 "CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc12)Cc1ccco1 |&1:6,r|" OQAFDLPAPSSOHY-MRXNPFEDSA-N 1367681 BRD-A94580299-001-10-4 KL-001 0 98.65 Tocris 4685 KL 001 398.13 "CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc12)Cc1ccco1 |&1:6,r|" OQAFDLPAPSSOHY-MRXNPFEDSA-N 1367681 BRD-K00005245-001-01-9 KM-0118 0 82.7 MedChemEx HY-19756 OTX008 936.547 CN(C)CCNC(=O)COc1c2Cc3cccc(Cc4cccc(Cc5cccc(Cc1ccc2)c5OCC(=O)NCCN(C)C)c4OCC(=O)NCCN(C)C)c3OCC(=O)NCCN(C)C CQVAQQNDZCZBSU-UHFFFAOYSA-N 11953346 BRD-K00004747-001-01-9 KME-4 0 89.36 MedChemEx HY-101587 KME-4 302.188 CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C DFPYHQJPGCODSB-UKTHLTGXSA-N 6438990 BRD-K46734292-001-03-6 KML29 0 96.99 MedChemEx HY-18977 KML29 549.122 OC(C1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 SXHQLPHDBLTFPM-UHFFFAOYSA-N 71656212 BRD-A81177136-001-12-7 KN-62 0 96.68 MedChemEx HY-13290 KN-62 721.203 "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |&1:2,r|" RJVLFQBBRSMWHX-DHUJRADRSA-N 5312126 BRD-K93480852-003-01-0 KN-93 0 98.69 MedChemEx HY-15465A KN-93 (hydrochloride) 500.154 COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 LLLQTDSSHZREGW-AATRIKPKSA-N 5312122 BRD-K93480852-001-06-3 KN-93 0 95.99 MedChemEx HY-15465 KN-93 500.154 COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 LLLQTDSSHZREGW-AATRIKPKSA-N 5312122 BRD-K93480852-001-05-5 KN-93 0 97.6 MedChemEx HY-15465 KN-93 500.154 COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 LLLQTDSSHZREGW-AATRIKPKSA-N 5312122 BRD-K64642496-001-04-0 Ko143 0 97.42 Tocris 3241 Ko 143 469.258 COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O NXNRAECHCJZNRF-JBACZVJFSA-N 10322450 BRD-K64642496-001-03-2 Ko143 0 94.91 MedChemEx HY-10010 Ko 143 469.258 COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O NXNRAECHCJZNRF-JBACZVJFSA-N 10322450 BRD-K46690591-001-01-2 KP-1212 0 100 Berry PY 7106 230.102 NC1=NC(=O)N(CN1)[C@H]1C[C@@H](O)[C@@H](CO)O1 |t:1| LAOLDMMWVYDDID-HSUXUTPPSA-N 71167912 BRD-K71467466-001-02-3 KPT-185 0 95.93 Selleck S7125 KPT-185 355.114 COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1 NLNGWFLRRRYNIL-PLNGDYQASA-N 53495165 BRD-K75352575-001-02-9 KPT-276 0 92.41 MedChemEx HY-17539 KPT-276 426.073 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)N2CC(F)(F)C2)n1 JCHAWRDHMUSLMM-UPHRSURJSA-N 71496742 BRD-K75352575-001-01-3 KPT-276 0 95.86 Selleck S7251 KPT-276 426.073 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)N2CC(F)(F)C2)n1 JCHAWRDHMUSLMM-UPHRSURJSA-N 71496742 BRD-K00004701-001-01-9 KPT-9274 0 90.7 AMS P50904 KPT-9274 610.219 Nc1ccc(\C=C\C(=O)NCc2cc3cc(cc(-c4ccc(F)cc4)c3o2)-c2ccc(cc2)C(=O)N2CCC(F)(F)CC2)cn1 MRFOPLWJZULAQD-SWGQDTFXSA-N 117779453 BRD-K00004587-001-01-9 KR-33494 0 97.06 MedChemEx HY-100755 KR-33493 459.025 OC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(Br)cc1 ZRLJEHIUGYTTSZ-UHFFFAOYSA-N 25009726 BRD-K40604024-001-02-9 KRCA-0008 0 93.41 Tocris 5098 KRCA 0008 608.263 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O TXDIRJCYNAWBOS-UHFFFAOYSA-N 72547474 BRD-K40604024-001-01-6 KRCA-0008 0 89.08 Tocris 5098 KRCA 0008 608.263 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O TXDIRJCYNAWBOS-UHFFFAOYSA-N 72547474 BRD-K90993449-001-03-9 KRN-633 0 96.26 MedChemEx HY-12060 KRN-633 416.125 CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl VPBYZLCHOKSGRX-UHFFFAOYSA-N 9549295 BRD-K90993449-001-02-7 KRN-633 0 93.55 Selleck S1557 KRN 633 416.125 CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl VPBYZLCHOKSGRX-UHFFFAOYSA-N 9549295 BRD-K81053848-001-01-0 KS-176 0 96.94 Tocris 4169 KS 176 405.132 OCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 LTWQQWSXYYXVGA-UHFFFAOYSA-N 49779726 BRD-K81053848-001-02-9 KS-176 0 97.1 Tocris 4169 KS 176 405.132 OCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 LTWQQWSXYYXVGA-UHFFFAOYSA-N 49779726 BRD-K66437909-001-01-0 KT-433 0 97.5 Sigma MFCD00901289 {4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenoxy}acetic acid 324.1 CCc1oc2ccccc2c1C(=O)c1ccc(OCC(O)=O)cc1 XSDFWTIKVXKOGJ-UHFFFAOYSA-N 3874929 BRD-K67566344-001-08-3 KU-0063794 0 95.33 Selleck S1226 Ku-0063794 465.238 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 RFSMUFRPPYDYRD-CALCHBBNSA-N 16736978 BRD-K67566344-001-07-5 KU-0063794 0 86.46 Selleck S1226 KU-0063794 465.238 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 RFSMUFRPPYDYRD-CALCHBBNSA-N 16736978 BRD-K25311561-001-10-7 KU-55933 0 98.75 Tocris 3544 KU 55933 395.065 O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 XRKYMMUGXMWDAO-UHFFFAOYSA-N 5278396 BRD-K25311561-001-09-9 KU-55933 0 97.7 Selleck S1092 KU-55933 (ATM Kinase Inhibitor) 395.065 O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 XRKYMMUGXMWDAO-UHFFFAOYSA-N 5278396 BRD-K36016295-001-06-0 KU-60019 0 96.77 Tocris 4176 KU 60019 547.214 C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 SCELLOWTHJGVIC-BGYRXZFFSA-N 15953870 BRD-K36016295-001-05-2 KU-60019 0 90.52 Selleck S1570 KU-60019 547.214 C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 SCELLOWTHJGVIC-BGYRXZFFSA-N 15953870 BRD-K36016295-001-04-5 KU-60019 0 77.74 Selleck S1570 KU-60019 547.214 C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 SCELLOWTHJGVIC-BGYRXZFFSA-N 15953870 BRD-A38747044-001-03-1 KU14R 0 96.56 Tocris 1131 KU14R 214.111 "CC[C@]1(Cc2ccccc2O1)c1ncc[nH]1 |&1:2,r|" JCWVNNMJXQJVNC-ZDUSSCGKSA-N 92179136 BRD-A38747044-001-04-9 KU14R 0 91.81 Tocris 1131 KU14R 214.111 "CC[C@]1(Cc2ccccc2O1)c1ncc[nH]1 |&1:2,r|" JCWVNNMJXQJVNC-ZDUSSCGKSA-N 92179136 BRD-A38747044-001-02-3 KU14R 0 98.56 Tocris 1131 KU14R 214.111 "CC[C@]1(Cc2ccccc2O1)c1ncc[nH]1 |&1:2,r|" JCWVNNMJXQJVNC-ZDUSSCGKSA-N 92179136 BRD-K51337109-003-01-3 kuromanin 0 98.1 MedChemEx HY-N0640 Kuromanin (chloride) 449.108 OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O RKWHWFONKJEUEF-GQUPQBGVSA-O 441667 BRD-K21718444-001-06-8 KW-2449 0 93.46 Selleck S2158 KW-2449 332.164 O=C(N1CCNCC1)c1ccc(\C=C\c2[nH]nc3ccccc23)cc1 YYLKKYCXAOBSRM-JXMROGBWSA-N 11427553 BRD-K41213548-001-03-9 KW-2478 0 96.9 MedChemEx HY-13468 KW-2478 574.289 CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC VFUXSYAXEKYYMB-UHFFFAOYSA-N 23116322 BRD-K41213548-001-02-0 KW-2478 0 92.87 Selleck S2685 KW-2478 574.289 CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC VFUXSYAXEKYYMB-UHFFFAOYSA-N 23116322 BRD-A95683721-001-03-8 KW-3902 0 98.8 Tocris 4167 KW 3902 356.221 "CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@@H]3C[C@H]1C[C@H](C2)C3 |&1:23,&2:21,&3:19,r|" PJBFVWGQFLYWCB-XEDLVCFGSA-N BRD-A95683721-001-01-2 KW-3902 0 98.5 Axon 1603 "8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione" 356.221 "CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@@H]3C[C@H]1C[C@H](C2)C3 |&1:23,&2:21,&3:19,r|" PJBFVWGQFLYWCB-XEDLVCFGSA-N BRD-K29968218-001-03-2 KX2-391 0 96.52 Selleck S2700 KX2-391 431.221 O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 HUNGUWOZPQBXGX-UHFFFAOYSA-N 23635314 BRD-K29968218-001-02-4 KX2-391 0 Selleck S2700 KX2-391 431.221 O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 "InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)" 23635314 BRD-K13302470-001-04-9 KY02111 0 96.48 Tocris 4731 KY 02111 376.065 COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC LXFKEVQQSKQXPR-UHFFFAOYSA-N 8582409 BRD-K13302470-001-03-5 KY02111 0 97.39 Tocris 4731 KY 02111 376.065 COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC LXFKEVQQSKQXPR-UHFFFAOYSA-N 8582409 BRD-K13302470-001-02-7 KY02111 0 97.58 Selleck S7096 KY02111 376.065 COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC LXFKEVQQSKQXPR-UHFFFAOYSA-N 8582409 BRD-K85872723-001-17-5 kynurenic-acid 0 98.64 Tocris 223 Kynurenic acid 189.043 OC(=O)c1cc(=O)c2ccccc2[nH]1 HCZHHEIFKROPDY-UHFFFAOYSA-N 3845 BRD-K85872723-001-15-9 kynurenic-acid 0 97.06 Tocris 223 Kynurenic acid 189.043 OC(=O)c1cc(=O)c2ccccc2[nH]1 HCZHHEIFKROPDY-UHFFFAOYSA-N 3845 BRD-K85872723-001-18-9 kynurenic-acid 0 96.86 Tocris 223 Kynurenic acid 189.043 OC(=O)c1cc(=O)c2ccccc2[nH]1 HCZHHEIFKROPDY-UHFFFAOYSA-N 3845 BRD-K00003714-002-01-9 L-(+)-rhamnose-monohydrate 0 100 MedChemEx HY-N0642 a-L-Rhamnose monohydrate 164.068 C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O SHZGCJCMOBCMKK-HGVZOGFYSA-N 439710 BRD-K01827100-001-10-9 L-152804 0 78.15 Tocris 1382 "L-152,804" 366.183 "CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |&1:7,r,t:8|" XQDXIHYKAGHZRX-LJQANCHMSA-N 969478 BRD-K01827100-001-16-9 L-152804 0 94.15 Tocris 1382 "L-152,804" 366.183 "CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |&1:7,r,t:8|" XQDXIHYKAGHZRX-LJQANCHMSA-N 969478 BRD-K01827100-001-09-9 L-152804 0 92.68 Tocris 1382 "L-152,804" 366.183 "CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |&1:7,r,t:8|" XQDXIHYKAGHZRX-LJQANCHMSA-N 969478 BRD-K39733634-001-03-4 L-161982 0 98.41 Tocris 2514 "L-161,982" 654.158 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1sccc1C MMDNKTXNUZFVKD-UHFFFAOYSA-N 9961192 BRD-K39733634-001-02-6 L-161982 0 98.21 Tocris 2514 "L-161,982" 654.158 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1sccc1C MMDNKTXNUZFVKD-UHFFFAOYSA-N 9961192 BRD-K39733634-001-04-9 L-161982 0 95.66 Tocris 2514 "L-161,982" 654.158 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1sccc1C MMDNKTXNUZFVKD-UHFFFAOYSA-N 9961192 BRD-K98372770-001-09-0 L-165041 0 97.66 Tocris 1856 "L-165,041" 402.168 CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O HBBVCKCCQCQCTJ-UHFFFAOYSA-N 6603901 BRD-K40656405-001-03-1 BRD-K98372770-001-10-9 L-165041 0 95.26 Tocris 1856 "L-165,041" 402.168 CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O HBBVCKCCQCQCTJ-UHFFFAOYSA-N 6603901 BRD-K98372770-001-08-2 L-165041 0 98.7 Tocris 1856 "L-165,041" 402.168 CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O HBBVCKCCQCQCTJ-UHFFFAOYSA-N 6603901 BRD-K40656405-001-02-3 BRD-K18036262-001-03-6 L-168049 0 94.42 Tocris 2311 "L-168,049" 466.045 CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1 HHBOWXZOLYQFNY-UHFFFAOYSA-N 5311276 BRD-K18036262-001-02-8 L-168049 0 96.62 Tocris 2311 "L-168,049" 466.045 CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1 HHBOWXZOLYQFNY-UHFFFAOYSA-N 5311276 BRD-K18036262-001-04-9 L-168049 0 93.29 Tocris 2311 "L-168,049" 466.045 CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1 HHBOWXZOLYQFNY-UHFFFAOYSA-N 5311276 BRD-K34277641-001-01-2 L-365260 0 98.98 Tocris 2767 "(R)-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea" 398.174 CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| KDFQABSFVYLGPM-QFIPXVFZSA-N 5311201 BRD-K34277641-001-02-9 L-365260 0 Tocris 2767 "L-365,260" 398.174 CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| KDFQABSFVYLGPM-QFIPXVFZSA-N 5311201 BRD-K00004282-003-01-9 L-368899 0 95.02 Tocris 2641 "L-368,899 hydrochloride" 554.26 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C MWIASLNTAGRGGA-ZJPWWDJASA-N 9872389 BRD-K13474508-001-02-0 "L-655,708" 0 90.75 Tocris 1327 "L-655,708" 341.138 CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 YKYOQIXTECBVBB-AWEZNQCLSA-N 5311203 BRD-K13474508-001-03-9 "L-655,708" 0 97.15 Tocris 1327 "L-655,708" 341.138 CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 YKYOQIXTECBVBB-AWEZNQCLSA-N 5311203 BRD-K13474508-001-01-2 "L-655,708" 0 98.39 Tocris 1327 "L-655,708" 341.138 CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 YKYOQIXTECBVBB-AWEZNQCLSA-N 5311203 BRD-K89402695-001-03-1 L-655240 0 98.81 Tocris 1698 "L-655,240" 373.124 Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12 JLPYLHLUHJOPNL-UHFFFAOYSA-N 122070 BRD-K89402695-001-02-3 L-655240 0 93.13 Tocris 1698 "L-655,240" 373.124 Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12 JLPYLHLUHJOPNL-UHFFFAOYSA-N 122070 BRD-A85472596-001-03-9 L-670596 0 95.91 Tocris 1949 "L-670,596" 433.116 "CS(=O)(=O)c1ccc(Cn2c3[C@@H](CC(O)=O)CCCc3c3cc(F)cc(F)c23)cc1 |&1:11,r|" GMJWAIMJHBTYPD-CQSZACIVSA-N 86295146 BRD-A85472596-001-02-2 L-670596 0 98.01 Tocris 1949 "L-670,596" 433.116 "CS(=O)(=O)c1ccc(Cn2c3[C@@H](CC(O)=O)CCCc3c3cc(F)cc(F)c23)cc1 |&1:11,r|" GMJWAIMJHBTYPD-CQSZACIVSA-N 86295146 BRD-K74284736-001-03-1 L-689560 0 95.13 Tocris 742 "L-689,560" 379.049 OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 UCKHICKHGAOGAP-UONOGXRCSA-N 6604749 BRD-K74284736-001-04-9 L-689560 0 98.1 Tocris 742 "L-689,560" 379.049 OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 UCKHICKHGAOGAP-UONOGXRCSA-N 6604749 BRD-K74284736-001-02-3 L-689560 0 66.22 Tocris 742 "L-689,560" 379.049 OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 UCKHICKHGAOGAP-UONOGXRCSA-N 6604749 BRD-K28470988-001-04-6 L-690330 0 0 Tocris 681 "L-690,330" 298.001 CC(Oc1ccc(O)cc1)(P(O)(O)=O)P(O)(O)=O JKOCAAWWDVHWKB-UHFFFAOYSA-N 132449 BRD-K83322645-050-02-9 L-693403 0 94.25 Tocris 426 "L-693,403 maleate" 277.183 C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1 GSXJSGMDWKPVBY-UHFFFAOYSA-N 4687238 BRD-K83322645-050-01-9 L-693403 0 96.18 Tocris 426 "L-693,403 maleate" 277.183 C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1 GSXJSGMDWKPVBY-UHFFFAOYSA-N 4687238 BRD-K18816859-001-06-9 L-694247 0 91.42 Tocris 781 "L-694,247" 411.137 CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 HKXMQLISPYELRD-UHFFFAOYSA-N 132059 BRD-K18816859-001-02-2 L-694247 0 29.3 Tocris 781 "L-694,247" 411.137 CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 HKXMQLISPYELRD-UHFFFAOYSA-N 132059 BRD-K10176267-001-03-3 L-701252 0 97.91 Tocris 705 "L-701,252" 263.035 Oc1c(C(=O)C2CC2)c(=O)[nH]c2cc(Cl)ccc12 MXEFWCFPCLDOOG-UHFFFAOYSA-N 54687453 BRD-K08109516-001-08-6 L-701324 0 98.13 Tocris 907 "L-701,324" 363.066 Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 FLVRDMUHUXVRET-UHFFFAOYSA-N 54682505 BRD-K08109516-001-10-9 L-701324 0 97.12 Tocris 907 "L-701,324" 363.066 Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 FLVRDMUHUXVRET-UHFFFAOYSA-N 54682505 BRD-K08109516-001-07-8 L-701324 0 98.44 Tocris 907 "L-701,324" 363.066 Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 FLVRDMUHUXVRET-UHFFFAOYSA-N 54682505 BRD-K37952347-001-02-2 "L-732,138" 0 97.96 Tocris 868 "L-732,138" 472.122 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F BYYQYXVAWXAYQC-LJQANCHMSA-N 44396853 BRD-K37952347-001-03-9 "L-732,138" 0 96.34 Tocris 868 "L-732,138" 472.122 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F BYYQYXVAWXAYQC-LJQANCHMSA-N 44396853 BRD-K37952347-001-01-4 "L-732,138" 0 96.9 Tocris 868 "L-732,138" 472.122 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F BYYQYXVAWXAYQC-LJQANCHMSA-N 44396853 BRD-K15791587-003-03-9 L-733060 0 93.72 Tocris 1145 "L-733,060 hydrochloride" 403.137 FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F FCDRFVCGMLUYPG-ROUUACIJSA-N 132846 BRD-K15791587-003-02-5 L-733060 0 96.09 Tocris 1145 "L-733,060 hydrochloride" 403.137 FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F FCDRFVCGMLUYPG-ROUUACIJSA-N 132846 BRD-K13211965-003-03-9 L-741742 0 92.12 Tocris 1004 "L-741,742 hydrochloride" 380.166 Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 QDMAKDIDFJTXEL-UHFFFAOYSA-N 133008 BRD-K13211965-003-02-8 L-741742 0 97.25 Tocris 1004 "L-741,742 hydrochloride" 380.166 Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 QDMAKDIDFJTXEL-UHFFFAOYSA-N 133008 BRD-K05528470-305-03-0 L-745870 0 93.03 Tocris 1002 "3-{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-1H-pyrrolo[2,3-b]pyridine trihydrochloride" 326.13 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 OGJGQVFWEPNYSB-UHFFFAOYSA-N 5311200 BRD-K05528470-305-02-2 L-745870 0 81.88 Tocris 1002 "L-745,870" 326.13 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 OGJGQVFWEPNYSB-UHFFFAOYSA-N 5311200 BRD-K39359968-001-02-6 L-755507 0 76.05 Tocris 2197 "L-755,507" 584.267 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 NYYJKMXNVNFOFQ-MHZLTWQESA-N 9829836 BRD-K39359968-001-01-8 L-755507 0 66.45 Tocris 2197 "L-755,507" 584.267 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 NYYJKMXNVNFOFQ-MHZLTWQESA-N 9829836 BRD-K39359968-001-03-9 L-755507 0 96.7 Tocris 2197 "L-755,507" 584.267 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 NYYJKMXNVNFOFQ-MHZLTWQESA-N 9829836 BRD-K30425481-003-01-0 L-760735 0 72.75 Tocris 4013 L 760735 575.213 C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F USRYEHHMJIRICK-ZNZBMKLDSA-N 9809077 BRD-K30425481-003-02-9 L-760735 0 92.01 Tocris 4013 L 760735 575.213 C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F USRYEHHMJIRICK-ZNZBMKLDSA-N 9809077 BRD-K10958118-003-01-5 L-778123 0 96.05 MedChemEx HY-16273A L-778123 (hydrochloride) 405.136 Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O JNUGFGAVPBYSHF-UHFFFAOYSA-N 216454 BRD-K10958118-003-02-9 L-778123 0 96.64 MedChemEx HY-16273A L-778123 (hydrochloride) 405.136 Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O JNUGFGAVPBYSHF-UHFFFAOYSA-N 216454 BRD-K43905307-001-02-0 L-798106 0 97.76 Tocris 3342 "L-798,106" 535.045 COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1 ODTKFNUPVBULRJ-NTCAYCPXSA-N 15551229 BRD-K43905307-001-01-2 L-798106 0 99.28 Tocris 3342 "L-798,106" 535.045 COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1 ODTKFNUPVBULRJ-NTCAYCPXSA-N 15551229 BRD-K43905307-001-03-9 L-798106 0 98.55 Tocris 3342 "L-798,106" 535.045 COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1 ODTKFNUPVBULRJ-NTCAYCPXSA-N 15551229 BRD-K46647427-001-02-0 L-838417 0 97.33 Tocris 3250 "L-838,417" 399.162 Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F BQDUNOMMYOKHEP-UHFFFAOYSA-N 9908880 BRD-K46647427-001-03-9 L-838417 0 96.68 Tocris 3250 "L-838,417" 399.162 Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F BQDUNOMMYOKHEP-UHFFFAOYSA-N 9908880 BRD-K25125382-001-02-5 L-alanine 1 0 Sigma 5130 L-alanine 89.048 C[C@H](N)C(O)=O QNAYBMKLOCPYGJ-REOHCLBHSA-N 7311724 BRD-K06033833-003-03-3 L-arginine 0 100 Selleck S3174 L-Arginine HCl 174.112 N[C@@H](CCCNC(N)=N)C(O)=O ODKSFYDXXFIFQN-BYPYZUCNSA-N 6322 BRD-A45419686-001-04-9 L-ascorbyl-6-palmitate 0 0 MicroSource 1505742 ASCORBYL PALMITATE 414.262 "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:19,21,&1:27|" CYJPUZLKFAUFHF-HFSMHLIXSA-N BRD-A14985772-001-03-3 BRD-A45419686-001-02-3 L-ascorbyl-6-palmitate 0 0 Selleck S2532 L-Ascorbyl 6-palmitate 414.262 "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:19,21,&1:27|" CYJPUZLKFAUFHF-HFSMHLIXSA-N BRD-A45419686-001-03-1 L-ascorbyl-6-palmitate 0 36.17 Selleck S2532 L-Ascorbyl 6-palmitate 414.262 "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:19,21,&1:27|" CYJPUZLKFAUFHF-HFSMHLIXSA-N BRD-A45419686-001-05-9 L-ascorbyl-6-palmitate 0 76.78 MedChemEx HY-B0987 Ascorbyl palmitate 414.262 "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=O)[C@@H]1O |a:19,21,&1:27|" CYJPUZLKFAUFHF-HFSMHLIXSA-N BRD-K06665116-001-02-6 L-asparagine 0 0 Sigma MFCD00064401 L-asparagine 132.053 N[C@@H](CC(N)=O)C(O)=O DCXYFEDJOCDNAF-REOHCLBHSA-N 6992089 BRD-K82178523-001-01-6 L-asparagine-N-hydroxy 0 98.6 Sigma A6508 (2S)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid 148.048 N[C@@H](CC(=O)NO)C(O)=O ZBYVTTSIVDYQSO-REOHCLBHSA-N 97663 BRD-K97163964-001-04-1 L-aspartic-acid 0 98.1 Sigma A1330000 (2S)-2-aminobutanedioic acid 133.038 N[C@@H](CC(O)=O)C(O)=O CKLJMWTZIZZHCS-REOHCLBHSA-N 5960 BRD-K97163964-001-03-3 L-aspartic-acid 0 81.45 Enzo AC367 L-Aspartic acid 133.038 N[C@@H](CC(O)=O)C(O)=O CKLJMWTZIZZHCS-REOHCLBHSA-N 5960 BRD-A12237696-001-05-9 L-citrulline 0 0 Sigma MFCD00007955 DL-CITRULLINE 175.096 "N[C@@H](CCCNC(N)=O)C(O)=O |&1:1,r|" RHGKLRLOHDJJDR-BYPYZUCNSA-N 9750 BRD-A12237696-001-04-2 L-citrulline 0 100 Vitas-M STK802460 175.096 "N[C@@H](CCCNC(N)=O)C(O)=O |&1:1,r|" RHGKLRLOHDJJDR-BYPYZUCNSA-N 9750 BRD-K00795468-001-02-1 L-cysteine 0 0 Sigma 95437 L-cysteine 121.02 N[C@@H](CS)C(O)=O XUJNEKJLAYXESH-REOHCLBHSA-N 6419722 BRD-A25800195-001-02-2 L-cysteinesulfinic-acid 1 0 Tocris 216 L-Cysteinesulfinic acid 153.01 "N[C@@H](C[S@@](O)=O)C(O)=O |a:1,&1:3|" ADVPTQAUNPRNPO-REOHCLBHSA-N 28167170 BRD-A25800195-001-03-9 L-cysteinesulfinic-acid 1 100 Tocris 216 L-Cysteinesulfinic acid 153.01 "N[C@@H](C[S@@](O)=O)C(O)=O |a:1,&1:3|" ADVPTQAUNPRNPO-REOHCLBHSA-N 28167170 BRD-K99679910-001-02-3 L-cystine 0 0 Sigma 30199 "(2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid)" 240.024 N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O LEVWYRKDKASIDU-IMJSIDKUSA-N 6992103 BRD-K26341917-001-01-3 L-ergothioneine 0 100 Enzo FR111 Ergothioneine 230.096 C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(O)=O SSISHJJTAXXQAX-ZETCQYMHSA-O 3037043 BRD-K62309135-001-05-2 L-glutamic-acid 0 98.26 Sigma MFCD00012619 (2S)-2-aminopentanedioic acid hydrochloride 147.053 N[C@@H](CCC(O)=O)C(O)=O WHUUTDBJXJRKMK-VKHMYHEASA-N 88747398 BRD-M12235055-001-06-2 BRD-K83896451-001-06-7 L-glutamine 0 0 Selleck S1749 L-Glutamine 146.069 N[C@@H](CCC(N)=O)C(O)=O ZDXPYRJPNDTMRX-VKHMYHEASA-N 6992086 BRD-K83896451-001-07-5 L-glutamine 0 93.22 Selleck S1749 L-Glutamine 146.069 N[C@@H](CCC(N)=O)C(O)=O ZDXPYRJPNDTMRX-VKHMYHEASA-N 6992086 BRD-A12454076-001-01-9 L-hydroxyproline 1 0 Enamine Z56899020 131.058 "O[C@H]1CN[C@@H](C1)C(O)=O |&1:1,&2:4,r|" PMMYEEVYMWASQN-DMTCNVIQSA-N 6971053 BRD-K20497775-001-06-9 L-kynurenine 0 93.27 MedChemEx HY-104026 L-Kynurenine 208.085 N[C@@H](CC(=O)c1ccccc1N)C(O)=O YGPSJZOEDVAXAB-QMMMGPOBSA-N 6971029 BRD-K12853841-001-02-2 L-leucine 0 58.9 Sigma V900431 L-leucine 131.095 CC(C)C[C@H](N)C(O)=O ROHFNLRQFUQHCH-YFKPBYRVSA-N 7045798 BRD-K86016185-001-01-3 L-lysine 0 0 Sigma 23128 L-lysine 146.106 NCCCC[C@H](N)C(O)=O KDXKERNSBIXSRK-YFKPBYRVSA-N 71774817 BRD-K06502269-001-02-6 L-methionine 0 97.7 Sigma V900487 L-methionine 149.051 CSCC[C@H](N)C(O)=O FFEARJCKVFRZRR-BYPYZUCNSA-N 6992087 BRD-K00004529-001-01-9 L-mimosine 0 0 Sigma M0253 L-Mimosine Koa hoale seeds 198.064 N[C@@H](CN1CC(=O)C(=O)C=C1)C(O)=O |c:9| BLYDGIISUNWHLF-YFKPBYRVSA-N 129010056 BRD-K20946707-001-01-9 L-monomethylarginine 0 0 Tocris 3513 (2S)-5-{[amino(imino)methyl]amino}-2-(methylamino)pentanoic acid 188.127 CN[C@@H](CCCNC(N)=N)C(O)=O NTWVQPHTOUKMDI-YFKPBYRVSA-N 73046 BRD-K33141550-003-06-5 L-NAME 0 83.56 Tocris 665 L-NAME hydrochloride 233.112 COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O KCWZGJVSDFYRIX-YFKPBYRVSA-N 39836 BRD-K33141550-003-11-9 L-NAME 0 85.56 Tocris 665 L-NAME hydrochloride 233.112 COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O KCWZGJVSDFYRIX-YFKPBYRVSA-N 39836 BRD-K33141550-003-05-7 L-NAME 0 96.03 Tocris 665 L-NAME hydrochloride 233.112 COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O KCWZGJVSDFYRIX-YFKPBYRVSA-N 39836 BRD-K60036103-003-02-9 L-NIL 0 100 Tocris 1139 L-NIL hydrochloride 187.132 CC(=N)NCCCC[C@H](N)C(O)=O ONYFNWIHJBLQKE-ZETCQYMHSA-N 2733506 BRD-K60036103-003-01-6 L-NIL 0 97.43 Tocris 1139 L-NIL hydrochloride 187.132 CC(=N)NCCCC[C@H](N)C(O)=O ONYFNWIHJBLQKE-ZETCQYMHSA-N 2733506 BRD-K25521961-001-06-9 L-phenylisopropyladenosine 0 86.39 Sigma P4532 "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(((R)-1-phenylpropan-2-yl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol" 385.175 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O RIRGCFBBHQEQQH-SSFGXONLSA-N 93205 BRD-K01666412-001-02-0 L-proline 0 99.2 Sigma V900338 L-proline 115.063 OC(=O)[C@@H]1CCCN1 ONIBWKKTOPOVIA-BYPYZUCNSA-N 6971047 BRD-K92404805-001-07-0 L-quisqualic-acid 0 100 Tocris 188 L-Quisqualic acid 189.039 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O ASNFTDCKZKHJSW-REOHCLBHSA-N 6971145 BRD-K92404805-001-08-9 L-quisqualic-acid 0 100 Tocris 188 L-Quisqualic acid 189.039 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O ASNFTDCKZKHJSW-REOHCLBHSA-N 6971145 BRD-K04843140-001-04-9 L-theanine 0 100 LKT T2816 N-Ethyl-L-glutamine 174.1 CCNC(=O)CC[C@H](N)C(O)=O DATAGRPVKZEWHA-YFKPBYRVSA-N 439378 BRD-K75508643-001-02-6 L-threonine 0 0 Sigma V900466 "(2S,3R)-2-amino-3-hydroxybutanoic acid" 119.058 C[C@@H](O)[C@H](N)C(O)=O AYFVYJQAPQTCCC-GBXIJSLDSA-N 6971019 BRD-K59424860-001-02-9 L-valine 0 0 MedChemEx HY-N0717A H-D-Val-OH 117.079 CC(C)[C@@H](N)C(O)=O KZSNJWFQEVHDMF-SCSAIBSYSA-N 71563 BRD-K59424860-001-01-4 L-valine 0 100 Enzo AC1026 D-Valine 117.079 CC(C)[C@@H](N)C(O)=O KZSNJWFQEVHDMF-SCSAIBSYSA-N 71563 BRD-K01825098-001-02-9 labetalol 0 97.47 CombiBlocks QN-9252 Labetalol 328.179 "C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(c1)C(N)=O |&1:1,&2:12,r|" SGUAFYQXFOLMHL-SCLBCKFNSA-N 134043 BRD-K43586850-001-04-9 lacidipine 0 96.37 MedChemEx HY-B0347 Lacidipine 455.231 "CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC |c:5,10|" GKQPCPXONLDCMU-CCEZHUSRSA-N 5311217 BRD-K43586850-001-02-9 lacidipine 0 95.57 Selleck S1994 Lacidipine 455.231 "CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC |c:5,10|" GKQPCPXONLDCMU-CCEZHUSRSA-N 5311217 BRD-K40787673-001-02-1 lacitol 0 100 MicroSource 1505436 D-LACTITOL MONOHYDRATE 344.132 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO VQHSOMBJVWLPSR-JVCRWLNRSA-N 157355 BRD-A34513497-002-02-3 BRD-K40787673-001-01-3 lacitol 0 99.29 MicroSource 1301027 LACITOL 344.132 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO VQHSOMBJVWLPSR-JVCRWLNRSA-N 157355 BRD-K40787673-001-07-9 lacitol 0 100 Sigma 19346 Lactitol 344.132 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO VQHSOMBJVWLPSR-JVCRWLNRSA-N 157355 BRD-K77258318-001-05-9 lactulose 0 99.4 MedChemEx HY-B1172 Lactulose 342.116 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O JCQLYHFGKNRPGE-FCVZTGTOSA-N 11333 BRD-K77258318-001-04-6 lactulose 0 100 MicroSource 1500363 LACTULOSE 342.116 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O JCQLYHFGKNRPGE-FCVZTGTOSA-N 11333 BRD-K00003615-001-01-9 lafutidine 0 98.46 MedChemEx HY-B0160 Lafutidine 431.188 O=C(C[S@@](=O)Cc1ccco1)NC\C=C/COc1cc(CN2CCCCC2)ccn1 |&1:3| KMZQAVXSMUKBPD-FCRIZLRQSA-N 40490609 BRD-K02992638-001-11-8 lamivudine 0 96.67 Selleck S1706 Lamivudine 229.052 Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 JTEGQNOMFQHVDC-NKWVEPMBSA-N 60825 BRD-K02992638-001-13-9 lamivudine 0 98.68 MedChemEx HY-B0250 Lamivudine 229.052 Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 JTEGQNOMFQHVDC-NKWVEPMBSA-N 60825 BRD-K93460210-001-23-7 lamotrigine 0 99.52 MicroSource 1505610 LAMOTRIGINE 255.008 Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl PYZRQGJRPPTADH-UHFFFAOYSA-N 3878 BRD-K93460210-001-22-9 lamotrigine 0 98.45 Selleck S3024 Lamotrigine 255.008 Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl PYZRQGJRPPTADH-UHFFFAOYSA-N 3878 BRD-K93460210-001-27-9 lamotrigine 0 97.16 Tocris 1611 Lamotrigine 255.008 Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl PYZRQGJRPPTADH-UHFFFAOYSA-N 3878 BRD-K00003387-001-01-9 lanabecestat 0 97.66 MedChemEx HY-100740 Lanabecestat 412.226 "CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |c:20,t:16|" WKDNQONLGXOZRG-HRNNMHKYSA-N BRD-A64242993-001-05-6 lanatoside-C 0 98.52 MicroSource 1501205 LANATOSIDE C 984.493 "C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |a:1,3,5,7,9,11,13,15,17,22,24,26,29,31,33,35,38,42,45,53,55,57,60,&1:47,&2:50,&3:51,t:69|" JAYAGJDXJIDEKI-FUVOQQLASA-N 73707447 BRD-K86436199-003-01-3 landiolol 0 98.94 AKSci V1307 509.274 CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1 WMDSZGFJQKSLLH-RBBKRZOGSA-N 114905 BRD-K00003462-001-01-9 lanifibranor 0 90.62 MedChemEx HY-104049 Lanifibranor 434.016 OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1 OQDQIFQRNZIEEJ-UHFFFAOYSA-N 68677842 BRD-A54275602-001-01-0 lanoconazole 0 96.68 AKSci 71613 319 "Clc1ccccc1[C@H]1CS\C(S1)=C(\C#N)n1ccnc1 |&1:7,r|" ZRTQSJFIDWNVJW-MNWMYKRDSA-N 40729546 BRD-K00004280-001-01-9 lansoprazole 0 95.82 Tocris 2582 Lansoprazole 369.076 "Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 |&1:14,r|" MJIHNNLFOKEZEW-RUZDIDTESA-N 9578005 BRD-K19687926-001-10-8 lapatinib 0 97.32 Selleck S1028 Lapatinib 580.135 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 BCFGMOOMADDAQU-UHFFFAOYSA-N 208908 BRD-K19687926-379-07-4 lapatinib 0 94.87 Selleck S1028 Lapatinib (GW-572016) Ditosylate 580.135 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 BCFGMOOMADDAQU-UHFFFAOYSA-N 208908 BRD-K19687926-001-04-1 lapatinib 0 92.08 Selleck S2111 Lapatinib 580.135 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 BCFGMOOMADDAQU-UHFFFAOYSA-N 208908 BRD-K00025602-004-02-9 lappaconite 0 89.72 Selleck S2387 584.31 CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14)OC(=O)c1ccccc1NC(C)=O NWBWCXBPKTTZNQ-QOQRDJBUSA-N 90479327 BRD-K60918217-001-02-0 laquinimod 0 0 Selleck S2787 Laquinimod 356.093 CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 GKWPCEFFIHSJOE-UHFFFAOYSA-N 54677946 BRD-K60918217-001-04-9 laquinimod 0 79.38 MedChemEx HY-13010 Laquinimod 356.093 CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 GKWPCEFFIHSJOE-UHFFFAOYSA-N 54677946 BRD-K60918217-001-03-8 laquinimod 0 86.53 Selleck S2787 Laquinimod (ABR-215062) 356.093 CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 GKWPCEFFIHSJOE-UHFFFAOYSA-N 54677946 BRD-K00003469-015-01-9 larazotide-acetate 0 79.47 MedChemEx HY-106268A Larazotide acetate 725.407 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O ORFLZNAGUTZRLQ-ZMBVWFSWSA-N 9810532 BRD-K48894757-001-02-9 laropiprant 0 97.3 MedChemEx HY-50175 Laropiprant 435.071 CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 NXFFJDQHYLNEJK-CYBMUJFWSA-N 9867642 BRD-K48894757-001-01-8 laropiprant 0 98.78 MedChemEx HY-50175 Laropiprant 435.071 CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 NXFFJDQHYLNEJK-CYBMUJFWSA-N 9867642 BRD-K36574127-001-01-3 larotrectinib 0 96.21 MedChemEx HY-12866 LOXO-101 428.177 O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F NYNZQNWKBKUAII-KBXCAEBGSA-N 46188928 BRD-K10207760-236-13-9 lasalocid 0 88.82 MedChemEx HY-B1071A Lasalocid (sodium) 590.382 CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(O)=O BBMULGJBVDDDNI-OWKLGTHSSA-N 5360807 BRD-K00003178-003-01-9 lasmiditan 0 93.04 MedChemEx HY-14861A Lasmiditan (hydrochloride) 377.135 CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1 XEDHVZKDSYZQBF-UHFFFAOYSA-N 11610526 BRD-M93148412-001-02-6 lasofoxifene 0 98.71 MedChemEx HY-A0038 Lasofoxifene (Tartrate) 563.252 O[C@@H]([C@H](O)C(O)=O)C(O)=O.Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 INEHJXCWEVNEDZ-LUDNRVPPSA-N 3081919 BRD-M93148412-001-01-8 lasofoxifene 0 0 MedChemEx HY-A0038 Lasofoxifene (Tartrate) 563.252 O[C@@H]([C@H](O)C(O)=O)C(O)=O.Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 INEHJXCWEVNEDZ-LUDNRVPPSA-N 3081919 BRD-K10961822-001-05-1 latanoprost 0 98.27 Enzo DL281 Latanoprost 432.288 CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 GGXICVAJURFBLW-CEYXHVGTSA-N 5311221 BRD-K55703048-300-02-4 latrepirdine 0 95.21 Tocris 3201 Dimebon dihydrochloride 319.205 CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1 JNODQFNWMXFMEV-UHFFFAOYSA-N 197033 BRD-K55703048-001-07-7 latrepirdine 0 80.14 ChemDiv H025-0000 319.205 CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1 JNODQFNWMXFMEV-UHFFFAOYSA-N 197033 BRD-K55703048-300-01-6 latrepirdine 0 93.95 Adooq A10312 "2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole dihydrochloride" 319.205 CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1 JNODQFNWMXFMEV-UHFFFAOYSA-N 197033 BRD-K61292460-001-02-3 latrunculin-B 0 31.64 EMDBio 428020-1MG "LATRUNCULIN B, LATRUNCULIA MAGNIFICA" 395.177 "C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C/1 |c:27,t:22|" NSHPHXHGRHSMIK-JRIKCGFMSA-N 6436219 BRD-K61292460-001-03-1 latrunculin-B 0 68.21 EMD 428020-1MG Latrunculin B 395.177 "C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C/1 |c:27,t:22|" NSHPHXHGRHSMIK-JRIKCGFMSA-N 6436219 BRD-K67375056-001-07-9 lauric-acid 0 58.87 Enzo BL137 Dodecanoic acid (Lauric acid) 200.178 CCCCCCCCCCCC(O)=O POULHZVOKOAJMA-UHFFFAOYSA-N 3893 BRD-K11548689-001-02-9 lauric-diethanolamide 0 96.98 MedChemEx HY-W005513 "N,N-Bis(2-hydroxyethyl)dodecanamide" 287.246 CCCCCCCCCCCC(=O)N(CCO)CCO AOMUHOFOVNGZAN-UHFFFAOYSA-N 8430 BRD-K11548689-001-01-6 lauric-diethanolamide 0 97.68 Enamine Z1262465391 287.246 CCCCCCCCCCCC(=O)N(CCO)CCO AOMUHOFOVNGZAN-UHFFFAOYSA-N 8430 BRD-K35698076-001-02-9 laurocapram 0 87.44 CombiBlocks OR-1589 Laurocapram 281.272 CCCCCCCCCCCCN1CCCCCC1=O AXTGDCSMTYGJND-UHFFFAOYSA-N 42981 BRD-K35698076-001-01-2 laurocapram 0 94.26 InterBioScreen STOCK1S-00317 281.272 CCCCCCCCCCCCN1CCCCCC1=O AXTGDCSMTYGJND-UHFFFAOYSA-N 42981 BRD-K51486818-003-03-6 lazabemide 0 78.47 Tocris 2460 Lazabemide hydrochloride 199.051 NCCNC(=O)c1ccc(Cl)cn1 JZXRLKWWVNUZRB-UHFFFAOYSA-N 71307 BRD-K51486818-003-02-8 lazabemide 0 89.6 Tocris 2460 Lazabemide hydrochloride 199.051 NCCNC(=O)c1ccc(Cl)cn1 JZXRLKWWVNUZRB-UHFFFAOYSA-N 71307 BRD-K00003501-001-01-9 lazertinib 0 96.15 MedChemEx HY-109061 Lazertinib 554.275 COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 RRMJMHOQSALEJJ-UHFFFAOYSA-N 121269225 BRD-K00025603-001-01-9 LB-100 0 29.5 MedChemEx HY-18597 268.142 "CN1CCN(CC1)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(O)=O |&1:10,13,&2:15,&3:9|" JUQMLSGOTNKJKI-YTWAJWBKSA-N 11923097 BRD-K18834913-001-03-7 LB42708 0 93.91 Tocris 4294 LB 42708 554.132 Brc1ccc(Cn2cncc2Cn2cc(C(=O)N3CCOCC3)c(c2)-c2cccc3ccccc23)cc1 GUUIRIMAQGOLHT-UHFFFAOYSA-N 10099206 BRD-K18834913-001-01-1 LB42708 0 96.49 Selleck S7467 LB42708 554.132 Brc1ccc(Cn2cncc2Cn2cc(C(=O)N3CCOCC3)c(c2)-c2cccc3ccccc23)cc1 GUUIRIMAQGOLHT-UHFFFAOYSA-N 10099206 BRD-K18834913-001-05-9 LB42708 0 97.41 Tocris 4294 LB 42708 554.132 Brc1ccc(Cn2cncc2Cn2cc(C(=O)N3CCOCC3)c(c2)-c2cccc3ccccc23)cc1 GUUIRIMAQGOLHT-UHFFFAOYSA-N 10099206 BRD-K18834913-001-02-9 LB42708 0 93.16 Selleck S7467 LB42708 554.132 Brc1ccc(Cn2cncc2Cn2cc(C(=O)N3CCOCC3)c(c2)-c2cccc3ccccc23)cc1 GUUIRIMAQGOLHT-UHFFFAOYSA-N 10099206 BRD-K08248804-001-01-8 LCL-161 0 95.17 MedChemEx HY-15518 LCL161 500.226 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 UFPFGVNKHCLJJO-SSKFGXFMSA-N 24737642 BRD-K08248804-001-03-9 LCL-161 0 94.25 MedChemEx HY-15518 LCL161 500.226 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 UFPFGVNKHCLJJO-SSKFGXFMSA-N 24737642 BRD-K20008181-001-01-3 LCQ908 0 89 MedChemEx HY-16278 LCQ-908 455.182 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 |r| GXALXAKNHIROPE-QAQDUYKDSA-N BRD-K20008181-001-03-9 LCQ908 0 90.59 MedChemEx HY-16278 Pradigastat 455.182 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 |r| GXALXAKNHIROPE-QAQDUYKDSA-N BRD-M31057929-314-01-9 LCZ696 0 60.84 MedChemEx HY-18204A LCZ696 846.432 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O XTKIDERFOUYBDE-QEPKIHTBSA-N 24755620 BRD-M31057929-001-01-2 LCZ696 0 61.4 MedChemEx HY-18204A LCZ696 846.432 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O XTKIDERFOUYBDE-QEPKIHTBSA-N 24755620 BRD-M31057929-385-01-9 LCZ696 0 61.98 MedChemEx HY-18204A LCZ696 846.432 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O XTKIDERFOUYBDE-QEPKIHTBSA-N 24755620 BRD-M75836831-385-01-0 BRD-M31057929-447-01-7 LCZ696 0 57.26 Selleck S7678 LCZ696 846.432 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O XTKIDERFOUYBDE-QEPKIHTBSA-N 24755620 BRD-M42331949-431-01-3 BRD-K44715996-001-01-0 LDC1267 0 98.38 MedChemEx HY-12494 LDC1267 560.187 CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C ISPBCAXOSOLFME-UHFFFAOYSA-N 56847486 BRD-K61795638-300-02-9 LDN-209929 0 72.25 Tocris 4828 LDN 209929 dihydrochloride 332.075 COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1 XMMAOXMYUGQGJD-UHFFFAOYSA-N 46871867 BRD-K61795638-300-01-0 LDN-209929 0 0 Tocris 4828 LDN 209929 dihydrochloride 332.075 COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1 XMMAOXMYUGQGJD-UHFFFAOYSA-N 46871867 BRD-K59831625-001-03-9 LDN-212854 0 92.2 Tocris 6151 LDN 212854 406.191 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 BBDGBGOVJPEFBT-UHFFFAOYSA-N 60182388 BRD-K59831625-001-01-6 LDN-212854 0 91.54 Selleck S7147 LDN-212854 406.191 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 BBDGBGOVJPEFBT-UHFFFAOYSA-N 60182388 BRD-K59831625-001-02-4 LDN-212854 0 97.26 Selleck S7147 LDN-212854 406.191 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 BBDGBGOVJPEFBT-UHFFFAOYSA-N 60182388 BRD-K51485109-001-02-9 LDN-27219 0 90.91 Tocris 4602 LDN 27219 408.071 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 WLBUICQBNZXIDJ-UHFFFAOYSA-N 1150683 BRD-K51485109-001-01-4 LDN-27219 0 88.89 Tocris 4602 LDN 27219 408.071 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 WLBUICQBNZXIDJ-UHFFFAOYSA-N 1150683 BRD-K94485812-001-01-1 LDN-57444 0 0 Selleck S7135 LDN-57444 395.984 CC(=O)O\N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 OPQRFPHLZZPCCH-LTGZKZEYSA-N 51537051 BRD-K94485812-001-03-7 LDN-57444 0 0 MedChemEx HY-18637 LDN-57444 395.984 CC(=O)O\N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 OPQRFPHLZZPCCH-LTGZKZEYSA-N 51537051 BRD-K20203690-001-02-2 BRD-K94485812-001-02-9 LDN-57444 0 99.35 Selleck S7135 LDN-57444 395.984 CC(=O)O\N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 OPQRFPHLZZPCCH-LTGZKZEYSA-N 51537051 BRD-K04853698-376-01-4 LDN193189 0 97.1 MedChemEx HY-12071A LDN193189 (Hydrochloride) 406.191 C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 CDOVNWNANFFLFJ-UHFFFAOYSA-N 25195294 BRD-K06593056-001-05-5 LE-135 0 95.85 Tocris 2021 LE 135 438.231 CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9| YZZAIQOVMHVWBS-UHFFFAOYSA-N 10410894 BRD-K06593056-001-04-8 LE-135 0 95.75 Tocris 2021 LE 135 438.231 CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9| YZZAIQOVMHVWBS-UHFFFAOYSA-N 10410894 BRD-K05446112-001-01-8 ledipasvir 0 94.99 MedChemEx HY-15602 Ledipasvir 888.413 COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c1nc(c[nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1ccc2nc([nH]c2c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C VRTWBAAJJOHBQU-KMWAZVGDSA-N 67505836 BRD-K05446112-001-02-9 ledipasvir 0 99.19 MedChemEx HY-15602 Ledipasvir 888.413 COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c1nc(c[nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1ccc2nc([nH]c2c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C VRTWBAAJJOHBQU-KMWAZVGDSA-N 67505836 BRD-K78692225-001-24-5 leflunomide 0 94.48 MicroSource 1503927 LEFLUNOMIDE 270.062 Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F VHOGYURTWQBHIL-UHFFFAOYSA-N 3899 BRD-K78692225-001-23-7 leflunomide 0 93.56 Tocris 2228 Leflunomide 270.062 Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F VHOGYURTWQBHIL-UHFFFAOYSA-N 3899 BRD-K78692225-001-29-9 leflunomide 0 88.66 Tocris 2228 Leflunomide 270.062 Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F VHOGYURTWQBHIL-UHFFFAOYSA-N 3899 BRD-K78692225-001-22-9 leflunomide 0 91.18 Selleck S1247 Leflunomide 270.062 Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F VHOGYURTWQBHIL-UHFFFAOYSA-N 3899 BRD-K78666663-001-01-6 lemborexant 0 96.65 MedChemEx HY-16725 Lemborexant 410.155 Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 MUGXRYIUWFITCP-PGRDOPGGSA-N 56944144 BRD-A17883755-001-06-1 lenalidomide 0 98.9 Selleck S1029 Lenalidomide (CC-5013) 259.096 "Nc1cccc2C(=O)N(Cc12)[C@H]1CCC(=O)NC1=O |&1:11,r|" GOTYRUGSSMKFNF-JTQLQIEISA-N 12044976 BRD-K00003261-001-01-9 leniolisib 0 96.68 MedChemEx HY-17635 Leniolisib 450.199 CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F MWKYMZXCGYXLPL-ZDUSSCGKSA-N 57495353 BRD-K39974922-001-04-3 lenvatinib 0 98.78 Selleck S1164 Lenvatinib (E7080) 426.109 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O WOSKHXYHFSIKNG-UHFFFAOYSA-N 9823820 BRD-K39974922-001-01-9 lenvatinib 0 Selleck S1164 E7080 426.109 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O WOSKHXYHFSIKNG-UHFFFAOYSA-N 9823820 BRD-K00004696-001-01-9 leonurine 0 93.59 CombiBlocks QA-7588 Leonurine 311.148 COc1cc(cc(OC)c1O)C(=O)OCCCCNC(N)=N WNGSUWLDMZFYNZ-UHFFFAOYSA-N 161464 BRD-K00003269-001-01-9 LEQ506 0 88.91 MedChemEx HY-18636 LEQ506 432.264 C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)c(C)c1C POERAARDVFVDLO-QGZVFWFLSA-N 45100669 BRD-A18992208-003-02-7 lercanidipine 0 98.03 Sigma MFCD07773089 "3-{2-[(3,3-diphenylpropyl)(methyl)amino]-1,1-dimethylethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate hydrochloride" 611.3 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1 |r,c:4,9|" ZDXUKAKRHYTAKV-MGBGTMOVSA-N 9809926 BRD-K62398570-001-02-9 lerisetron 0 97.8 Enamine EN300-242559 "1-benzyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole" 292.169 C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1 PWWDCRQZITYKDV-UHFFFAOYSA-N 65997 BRD-K62398570-300-01-2 lerisetron 0 91.67 LifeChem F2145-0456 292.169 C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1 PWWDCRQZITYKDV-UHFFFAOYSA-N 65997 BRD-K62398570-001-01-6 lerisetron 0 98.73 Enamine EN300-242559 "1-Benzyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole" 292.169 C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1 PWWDCRQZITYKDV-UHFFFAOYSA-N 65997 BRD-K03289534-001-01-4 lersivirine 0 96.3 MedChemEx HY-14267 Lersivirine 310.143 CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N MCPUZZJBAHRIPO-UHFFFAOYSA-N 16739244 BRD-K03289534-001-02-9 lersivirine 0 95.42 MedChemEx HY-14267 Lersivirine 310.143 CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N MCPUZZJBAHRIPO-UHFFFAOYSA-N 16739244 BRD-K75024268-001-01-0 lesinurad 0 85.07 MedChemEx HY-15258 Lesinurad 402.999 OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 FGQFOYHRJSUHMR-UHFFFAOYSA-N 53465279 BRD-K75024268-001-02-9 lesinurad 0 99.19 MedChemEx HY-15258 Lesinurad 402.999 OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 FGQFOYHRJSUHMR-UHFFFAOYSA-N 53465279 BRD-A27376179-001-01-3 lestaurtinib 0 97.47 EMDBio 219499-5MG CEP-701 439.153 "C[C@]12O[C@@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |a:1,5,&1:3|" UIARLYUEJFELEN-DMVVYWCZSA-N 9932888 BRD-K21612934-001-01-1 leteprinim 0 97.65 Sigma MFCD00925649 "4-{[3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propanoyl]amino}benzoic acid" 327.097 OC(=O)c1ccc(NC(=O)CCn2cnc3c2[nH]cnc3=O)cc1 JMPOIZCOJJMTHI-UHFFFAOYSA-N 135409548 BRD-K94288301-001-01-7 letermovir 0 96.6 MedChemEx HY-15233 Letermovir 572.205 COc1cccc(c1)N1CCN(CC1)C1=Nc2c(F)cccc2[C@H](CC(O)=O)N1c1cc(ccc1OC)C(F)(F)F |t:16| FWYSMLBETOMXAG-QHCPKHFHSA-N 45138674 BRD-K94288301-001-02-9 letermovir 0 95.64 MedChemEx HY-15233 Letermovir 572.205 COc1cccc(c1)N1CCN(CC1)C1=Nc2c(F)cccc2[C@H](CC(O)=O)N1c1cc(ccc1OC)C(F)(F)F |t:16| FWYSMLBETOMXAG-QHCPKHFHSA-N 45138674 BRD-A32597168-001-03-6 letosteine 0 96.97 AKSci R082 279.06 "CCOC(=O)CSCC[C@H]1N[C@@H](CS1)C(O)=O |&1:9,&2:11,r|" IKOCLISPVJZJEA-YUMQZZPRSA-N 76956360 BRD-K00003474-001-01-9 letrazuril 0 98.49 MedChemEx HY-106859 Letrazuril 390.009 "Fc1ccc(cc1)[C@@H](C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O |&1:7,r|" XQKYUBTUOHHNDV-GFCCVEGCSA-N 76959723 BRD-K88789588-001-17-9 letrozole 0 93.39 Tocris 4382 Letrozole 285.101 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 HPJKCIUCZWXJDR-UHFFFAOYSA-N 3902 BRD-K88789588-001-16-4 letrozole 0 94.62 Tocris 4382 Letrozole 285.101 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 HPJKCIUCZWXJDR-UHFFFAOYSA-N 3902 BRD-K88789588-001-14-9 letrozole 0 96.85 Selleck S1235 Letrozole 285.101 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 HPJKCIUCZWXJDR-UHFFFAOYSA-N 3902 BRD-K27460187-334-01-8 leucomethylene-blue 0 0 MedChemEx HY-19948 Leucomethylene blue (Mesylate) 285.13 CN(C)c1ccc2Nc3ccc(cc3Sc2c1)N(C)C QTWZICCBKBYHDM-UHFFFAOYSA-N 164695 BRD-K01825581-238-05-9 leucovorin 0 93.02 MedChemEx HY-13664 Folinic acid (Calcium) 473.166 "Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |a:21,&1:9|" VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K01825581-399-03-9 leucovorin 0 97.3 Selleck S1236 Leucovorin Calcium 603.181 "Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |a:21,&1:9|" VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K01825581-399-02-9 leucovorin 0 86.8 Selleck S1236 Leucovorin Calcium 603.181 "Nc1nc(=O)c2N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |a:21,&1:9|" VVIAGPKUTFNRDU-STQMWFEESA-N 135398559 BRD-K81136890-003-01-6 leucylleucine-methyl-ester 0 100 ChemImpex 4578 258.194 COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C AJMOLNFDYWTVQW-QWRGUYRKSA-N 7016877 BRD-K45300898-001-04-9 leuprolide 0 93.87 Sigma 1358503 "(2S)-1-{(2S,5S,8R,11S,14S,17S,20S)-2-(3-{[amino(imino)methyl]amino}propyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5,8-diisobutyl-4,7,10,13,16,19,2" 1208.645 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 GFIJNRVAKGFPGQ-LIJARHBVSA-N 657181 BRD-K45300898-015-05-9 leuprolide 0 94.29 Sigma L0399-5MG Leuprolide acetate salt 1208.645 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 GFIJNRVAKGFPGQ-LIJARHBVSA-N 657181 BRD-K34469523-003-03-0 levalbuterol 0 97.04 MicroSource 1505811 LEVALBUTEROL HYDROCHLORIDE 239.152 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 NDAUXUAQIAJITI-LBPRGKRZSA-N 123600 BRD-K34469523-065-04-9 levalbuterol 0 94.99 Vitas-M STK618645 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol 239.152 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 NDAUXUAQIAJITI-LBPRGKRZSA-N 123600 BRD-K30634073-046-01-0 levallorphan 0 93.45 Enzo AC891 Levallorphan tartrate 283.194 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 OZYUPQUCAUTOBP-QXAKKESOSA-N 5359371 BRD-K30634073-046-02-8 levallorphan 0 81.06 Sigma L121-5MG Levallorphan tartrate salt 283.194 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 OZYUPQUCAUTOBP-QXAKKESOSA-N 5359371 BRD-K73107279-003-12-5 levamisole 0 99.45 MicroSource 1503245 LEVAMISOLE HYDROCHLORIDE 204.072 C1CN2C[C@@H](N=C2S1)c1ccccc1 |c:5| HLFSDGLLUJUHTE-SNVBAGLBSA-N 26879 BRD-K73107279-003-13-9 levamisole 0 98.3 MedChemEx HY-B1194 Tetramisole (hydrochloride) 204.072 C1CN2C[C@@H](N=C2S1)c1ccccc1 |c:5| HLFSDGLLUJUHTE-SNVBAGLBSA-N 26879 BRD-K73107279-003-11-7 levamisole 0 94.03 Selleck S1939 (-)-Tetramisole 204.072 C1CN2C[C@@H](N=C2S1)c1ccccc1 |c:5| HLFSDGLLUJUHTE-SNVBAGLBSA-N 26879 BRD-K00005329-074-01-9 levamlodipine 0 96.68 MedChemEx HY-14744A Levamlodipine besylate 408.145 "CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC |c:5,14|" HTIQEAQVCYTUBX-KRWDZBQOSA-N 9822750 BRD-K24526313-001-18-5 levcromakalim 0 98.45 Sigma MFCD00133201 "(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-chromene-6-carbonitrile" 286.132 CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N TVZCRIROJQEVOT-CABCVRRESA-N 93504 BRD-K24526313-001-17-7 levcromakalim 0 99.04 Tocris 1378 Levcromakalim 286.132 CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N TVZCRIROJQEVOT-CABCVRRESA-N 93504 BRD-K24526313-001-19-9 levcromakalim 0 93.36 Tocris 1377 Cromakalim 286.132 CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N TVZCRIROJQEVOT-CABCVRRESA-N 93504 BRD-K24526313-001-20-9 levcromakalim 0 98.36 Tocris 1378 Levcromakalim 286.132 CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N TVZCRIROJQEVOT-CABCVRRESA-N 93504 BRD-K49404994-001-13-3 levetiracetam 0 61.34 Tocris 2839 Levetiracetam 170.106 CC[C@H](N1CCCC1=O)C(N)=O HPHUVLMMVZITSG-LURJTMIESA-N 5284583 BRD-K49404994-001-10-9 levetiracetam 0 95.46 MicroSource 1502265 LEVETIRACETAM 170.106 CC[C@H](N1CCCC1=O)C(N)=O HPHUVLMMVZITSG-LURJTMIESA-N 5284583 BRD-K49404994-001-11-7 levetiracetam 0 94 Selleck S1356 Levetiracetam 170.106 CC[C@H](N1CCCC1=O)C(N)=O HPHUVLMMVZITSG-LURJTMIESA-N 5284583 BRD-K49404994-001-09-1 levetiracetam 0 79.86 Selleck S1356 Levetiracetam 170.106 CC[C@H](N1CCCC1=O)C(N)=O HPHUVLMMVZITSG-LURJTMIESA-N 5284583 BRD-A64698388-003-01-7 levo-phencynonate 0 87.3 ChemPacific 36081 Bencynoate hydrochloride 357.23 "CN1C[C@@H]2CCC[C@H](C1)[C@H]2OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |&1:7,&2:3,&3:9,&4:13|" ROZOEEGFKDFEFP-AXRVMRSRSA-N BRD-K43883465-003-02-9 levobetaxolol 0 97.62 MedChemEx HY-B0381B Levobetaxolol (hydrochloride) 307.215 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 NWIUTZDMDHAVTP-KRWDZBQOSA-N 60657 BRD-K43883465-003-01-5 levobetaxolol 0 94.07 Selleck S4085 Levobetaxolol HCl 307.215 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 NWIUTZDMDHAVTP-KRWDZBQOSA-N 60657 BRD-K31812033-003-12-9 levobunolol 0 98.38 MedChemEx HY-B1035 Levobunolol (hydrochloride) 291.183 CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 IXHBTMCLRNMKHZ-LBPRGKRZSA-N 39468 BRD-K31812033-003-10-2 levobunolol 0 98.21 Enzo AC3158 LEVOBUNOLOL HYDROCHLORIDE 291.183 CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 IXHBTMCLRNMKHZ-LBPRGKRZSA-N 39468 BRD-K31812033-003-11-0 levobunolol 0 99.36 Prestwick Prestw-847 (-) -Levobunolol hydrochloride 291.183 CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 IXHBTMCLRNMKHZ-LBPRGKRZSA-N 39468 BRD-K73323637-003-10-9 levobunolol-(+) 0 99.32 Prestwick Prestw-857 (+) -Levobunolol hydrochloride 291.183 CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12 IXHBTMCLRNMKHZ-GFCCVEGCSA-N 5460339 BRD-A46876182-003-02-8 levobunolol-(+/-) 0 98.4 MicroSource 1505551 LEVOBUNOLOL HYDROCHLORIDE 291.183 CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12 |&1:6| IXHBTMCLRNMKHZ-GFCCVEGCSA-N 5460339 BRD-K33453211-003-11-5 levocabastine 0 98.8 Prestwick Prestw-1039 Levocabastine hydrochloride 420.221 C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 ZCGOMHNNNFPNMX-KYTRFIICSA-N BRD-K59647213-001-10-5 levocarnitine 0 100 MicroSource 1505437 LEVOCARNITINE 162.113 C[N+](C)(C)C[C@H](O)CC(O)=O PHIQHXFUZVPYII-ZCFIWIBFSA-O 10918 BRD-K59647213-001-09-7 levocarnitine 0 93.16 Selleck S2388 L-carnitine 162.113 C[N+](C)(C)C[C@H](O)CC(O)=O PHIQHXFUZVPYII-ZCFIWIBFSA-O 10918 BRD-K84366268-003-01-0 levocarnitine-propionate 0 61.9 MedChemEx HY-B0932 Levocarnitine propionate (hydrochloride) 218.139 CCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C UFAHZIUFPNSHSL-MRVPVSSYSA-O 157837 BRD-K27184429-300-01-3 levocetirizine 0 97.42 MicroSource 1504914 LEVOCETIRIZINE DIHYDROCHLORIDE 388.155 OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZKLPARSLTMPFCP-OAQYLSRUSA-N 28145931 BRD-K18097163-300-02-6 BRD-K27184429-300-02-1 levocetirizine 0 96.75 TCI L0264 Levocetirizine dihydrochloride 388.155 OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZKLPARSLTMPFCP-OAQYLSRUSA-N 28145931 BRD-K34730807-001-16-8 levodopa 0 0 MicroSource 2300205 LEVODOPA 197.069 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O WTDRDQBEARUVNC-LURJTMIESA-N 6971033 BRD-K34730807-001-17-6 levodopa 0 92.55 Selleck S1726 Levodopa (Sinemet) 197.069 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O WTDRDQBEARUVNC-LURJTMIESA-N 6971033 BRD-K34730807-001-15-0 levodopa 0 0 Selleck S1726 Levodopa (Sinemet) 197.069 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O WTDRDQBEARUVNC-LURJTMIESA-N 6971033 BRD-K83551379-001-03-9 levodropropizine 0 89.36 MedChemEx HY-B1895 Levodropropizine 236.152 OC[C@@H](O)CN1CCN(CC1)c1ccccc1 PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-K83551379-001-02-6 levodropropizine 0 89.81 Selleck S4131 Levodropropizine 236.152 OC[C@@H](O)CN1CCN(CC1)c1ccccc1 PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-K60537263-001-01-3 BRD-K83551379-001-01-8 levodropropizine 0 95.16 Selleck S4131 Levodropropizine 236.152 OC[C@@H](O)CN1CCN(CC1)c1ccccc1 PTVWPYVOOKLBCG-ZDUSSCGKSA-N 65859 BRD-K09471561-001-18-2 levofloxacin 0 97.7 MicroSource 1504260 LEVOFLOXACIN 361.144 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O GSDSWSVVBLHKDQ-JTQLQIEISA-N 6956357 BRD-K09471561-001-20-8 levofloxacin 0 96.51 Selleck S1940 Levofloxacin 361.144 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O GSDSWSVVBLHKDQ-JTQLQIEISA-N 6956357 BRD-K88565300-001-01-7 BRD-K62751771-001-01-3 levomenol 0 0 Sigma MFCD03412455 (2S)-6-methyl-2-[(1S)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol 222.198 CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 |c:13| RGZSQWQPBWRIAQ-CABCVRRESA-N 442343 BRD-K50329370-001-08-2 levomenthol 0 32.51 MicroSource 1503134 LEVOMENTHOL 156.151 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O NOOLISFMXDJSKH-KXUCPTDWSA-N 16666 BRD-K50329370-001-09-0 levomenthol 0 0 Sigma V900632 "(1R,2S,5R)-2-isopropyl-5-methylcyclohexanol" 156.151 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O NOOLISFMXDJSKH-KXUCPTDWSA-N 16666 BRD-K35559145-001-01-3 levomepromazine 0 90.27 Sigma MFCD00083418 "(2R)-3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethyl-1-propanamine" 328.161 COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 VRQVVMDWGGWHTJ-CQSZACIVSA-N 72287 BRD-K35559145-050-08-5 levomepromazine 0 96.44 Prestwick Prestw-797 Methotrimeprazine maleat salt 328.161 COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 VRQVVMDWGGWHTJ-CQSZACIVSA-N 72287 BRD-A67616246-001-07-9 levomequitazine 0 96.71 Vitas-M STK324459 322.15 "C([C@H]1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12 |&1:1,r|" HOKDBMAJZXIPGC-MRXNPFEDSA-N 3246605 BRD-A67616246-001-08-9 levomequitazine 0 94.1 MedChemEx HY-B2168 Mequitazine 322.15 "C([C@H]1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12 |&1:1,r|" HOKDBMAJZXIPGC-MRXNPFEDSA-N 3246605 BRD-K02976377-001-08-2 levonordefrin 0 0 Sigma MFCD00134415 "4-[(1R,2S)-2-amino-1-hydroxypropyl]-1,2-benzenediol" 183.09 C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 GEFQWZLICWMTKF-CDUCUWFYSA-N 164739 BRD-K02976377-001-07-4 levonordefrin 0 0 MicroSource 1500365 LEVONORDEFRIN 183.09 C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 GEFQWZLICWMTKF-CDUCUWFYSA-N 164739 BRD-K35189033-001-28-7 levonorgestrel 0 79.79 Tocris 4833 Levonorgestrel 312.209 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:9| WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-K35189033-001-30-3 levonorgestrel 0 98.56 Selleck S1727 Levonorgestrel 312.209 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:9| WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-K10086084-001-02-7 BRD-K35189033-001-26-1 levonorgestrel 0 95.57 MicroSource 1502355 LEVONORGESTREL 312.209 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:9| WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-K35189033-001-29-5 levonorgestrel 0 92.36 Selleck S1727 Levonorgestrel 312.209 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:9| WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-K10086084-001-01-9 BRD-K35189033-001-31-1 levonorgestrel 0 87.21 Selleck S5709 NORGESTREL 312.209 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:9| WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-A54635441-078-09-1 levopropoxyphene 0 28.74 Prestwick Prestw-1054 Levopropoxyphene napsylate 339.22 "CCC(=O)OC(Cc1ccccc1)([C@@H](C)CN(C)C)c1ccccc1 |&1:5,&2:13|" XLMALTXPSGQGBX-HXBUSHRASA-N 133687039 BRD-K03095347-001-06-1 levosimendan 0 99.1 MicroSource 1502356 LEVOSIMENDAN 280.107 C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 |c:6| WHXMKTBCFHIYNQ-SECBINFHSA-N 3033825 BRD-K03095347-001-07-9 levosimendan 0 86.37 MedChemEx HY-14286 Levosimendan 280.107 C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 |c:6| WHXMKTBCFHIYNQ-SECBINFHSA-N 3033825 BRD-K03095347-001-05-3 levosimendan 0 96.7 Selleck S2446 Levosimendan 280.107 C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 |c:6| WHXMKTBCFHIYNQ-SECBINFHSA-N 3033825 BRD-K51671335-001-12-2 levosulpiride 0 98.1 Tocris 895 (S)-(-)-Sulpiride 341.141 CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O BGRJTUBHPOOWDU-NSHDSACASA-N 688272 BRD-K51671335-001-13-9 levosulpiride 0 96.27 Tocris 895 (S)-(-)-Sulpiride 341.141 CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O BGRJTUBHPOOWDU-NSHDSACASA-N 688272 BRD-K51671335-001-09-8 levosulpiride 0 97.48 Selleck S2104 Levosulpiride 341.141 CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O BGRJTUBHPOOWDU-NSHDSACASA-N 688272 BRD-K51671335-001-10-6 levosulpiride 0 97.65 Tocris 895 (S)-(-)-Sulpiride 341.141 CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O BGRJTUBHPOOWDU-NSHDSACASA-N 688272 BRD-K30685142-001-17-0 levothyroxine 0 96.14 Sigma MFCD00002595 "(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid" 776.687 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O XUIIKFGFIJCVMT-LBPRGKRZSA-N 5819 BRD-K30685142-001-16-2 levothyroxine 0 91.87 Selleck S2599 L-Thyroxine 776.687 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O XUIIKFGFIJCVMT-LBPRGKRZSA-N 5819 BRD-K30685142-001-15-4 levothyroxine 0 95.89 MicroSource 1500774 LEVOTHYROXINE 776.687 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O XUIIKFGFIJCVMT-LBPRGKRZSA-N 5819 BRD-K30685142-001-14-7 levothyroxine 0 26.13 Selleck S2599 L-Thyroxine 776.687 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O XUIIKFGFIJCVMT-LBPRGKRZSA-N 5819 BRD-A30655177-001-14-0 LFM-A13 0 94.77 Tocris 1300 LFM-A13 357.895 "CC(=O)[C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br |&1:3,r|" BQLDGDMKDYAGNE-MRVPVSSYSA-N BRD-K00003132-001-01-9 LGD-6972 0 99.07 MedChemEx HY-12525 LGD-6972 702.313 Cc1cc(C)c(c(C)c1)-c1ccc(NC(=O)[C@H](Cc2ccc(cc2)C(=O)NCCS(O)(=O)=O)c2ccc(cc2)-c2ccc(cc2)C(C)(C)C)cc1 HKJMCBYPVCGZFB-LDLOPFEMSA-N 44625560 BRD-K16810791-001-02-9 LGK-974 0 89.92 MedChemEx HY-17545 LGK974 396.17 Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C XXYGTCZJJLTAGH-UHFFFAOYSA-N 46926973 BRD-K16810791-001-01-0 LGK-974 0 97.22 Selleck S7143 LGK-974 396.17 Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C XXYGTCZJJLTAGH-UHFFFAOYSA-N 46926973 BRD-K47409078-001-01-8 LH846 0 92.8 MedChemEx HY-15704 LH846 316.044 Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl DYHAMRNAHTWYKY-UHFFFAOYSA-N 851474 BRD-K47409078-001-02-6 LH846 0 97.64 Tocris 4896 LH 846 316.044 Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl DYHAMRNAHTWYKY-UHFFFAOYSA-N 851474 BRD-K00004284-300-01-9 liarozole 0 95.35 Tocris 2705 Liarozole dihydrochloride 308.083 "Clc1cccc(c1)[C@H](c1ccc2nc[nH]c2c1)n1ccnc1 |&1:7,r|" UGFHIPBXIWJXNA-QGZVFWFLSA-N 76956376 BRD-A22642447-001-02-7 licarbazepine 0 90.45 Tocris 3865 Licarbazepine 254.106 "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc12 |&1:11,r|" BMPDWHIDQYTSHX-CQSZACIVSA-N 9816485 BRD-A22642447-001-03-9 licarbazepine 0 96.71 Tocris 3865 Licarbazepine 254.106 "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc12 |&1:11,r|" BMPDWHIDQYTSHX-CQSZACIVSA-N 9816485 BRD-A22642447-001-01-9 licarbazepine 0 98.65 Tocris 3865 Licarbazepine 254.106 "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc12 |&1:11,r|" BMPDWHIDQYTSHX-CQSZACIVSA-N 9816485 BRD-K99667445-001-03-9 licochalcone-A 0 95.93 MedChemEx HY-N0372 Licochalcone A 338.152 COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C KAZSKMJFUPEHHW-DHZHZOJOSA-N 5318998 BRD-K08439945-001-03-9 licofelone 0 41.88 Adooq A11697 "[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid" 379.134 CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 UAWXGRJVZSAUSZ-UHFFFAOYSA-N 133021 BRD-K08439945-001-01-3 licofelone 0 43.46 Selleck S2121 Licofelone 379.134 CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 UAWXGRJVZSAUSZ-UHFFFAOYSA-N 133021 BRD-K08439945-001-02-1 licofelone 0 34.98 Selleck S2121 Licofelone 379.134 CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 UAWXGRJVZSAUSZ-UHFFFAOYSA-N 133021 BRD-K00003504-001-01-9 licogliflozin 0 96.89 MedChemEx HY-109092 Licogliflozin 416.184 CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O XFJAMQQAAMJFGB-ZQGJOIPISA-N 52913524 BRD-K81881550-001-03-9 licostinel 0 91.53 Sigma MFCD00672687 "6,7-dichloro-5-nitro-1,4-dihydro-2,3-quinoxalinedione" 274.95 [O-][N+](=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 CHFSOFHQIZKQCR-UHFFFAOYSA-N 5486198 BRD-K68693535-001-03-4 lidamidine 0 93.96 ChemDiv 8009-0514 220.132 CNC(=N)NC(=O)Nc1c(C)cccc1C RRHJHSBDJDZUGL-UHFFFAOYSA-N 47510 BRD-K52662033-001-19-0 lidocaine 0 96.67 Selleck S1357 Lidocaine 234.173 CCN(CC)CC(=O)Nc1c(C)cccc1C NNJVILVZKWQKPM-UHFFFAOYSA-N 3676 BRD-K52662033-003-21-2 lidocaine 0 99.22 MicroSource 1500689 LIDOCAINE HYDROCHLORIDE 234.173 CCN(CC)CC(=O)Nc1c(C)cccc1C NNJVILVZKWQKPM-UHFFFAOYSA-N 3676 BRD-K62996583-001-11-9 lidoflazine 0 96.79 Sigma L9668 Lidoflazine 491.275 Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZBIAKUMOEKILTF-UHFFFAOYSA-N 3926 BRD-K62996583-001-10-3 lidoflazine 0 97.89 Prestwick Prestw-381 Lidoflazine 491.275 Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZBIAKUMOEKILTF-UHFFFAOYSA-N 3926 BRD-K00003275-001-01-9 lifirafenib 0 96.41 MedChemEx HY-18957 Lifirafenib 478.125 FC(F)(F)c1ccc2nc([nH]c2c1)[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 NGFFVZQXSRKHBM-FKBYEOEOSA-N 89670174 BRD-K60265345-001-02-9 lifitegrast 0 97.98 MedChemEx HY-19344 Lifitegrast 614.068 CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 JFOZKMSJYSPYLN-QHCPKHFHSA-N 11965427 BRD-K48875051-001-01-0 ligustilide 0 87.42 MedChemEx HY-N0401 Ligustilide 190.099 "CCC\C=C1/OC(=O)C2=C1CCC=C2 |c:8,13|" IQVQXVFMNOFTMU-FLIBITNWSA-N 5319022 BRD-K25015158-001-01-2 limaprost-alfadex 0 75.34 MedChemEx HY-B0683 Limaprost 380.256 CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O OJZYRQPMEIEQFC-UAWLTFRCSA-N 6438378 BRD-K25015158-001-02-0 limaprost-alfadex 0 93.26 MedChemEx HY-B0683 Limaprost 380.256 CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O OJZYRQPMEIEQFC-UAWLTFRCSA-N 6438378 BRD-K75373031-001-02-9 LIMKi-3 0 96.2 Tocris 4745 LIMKi 3 430.023 CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F IVUGBSGLHRJSSP-UHFFFAOYSA-N 56965901 BRD-K75373031-001-01-7 LIMKi-3 0 98.06 Tocris 4745 LIMKi 3 430.023 CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F IVUGBSGLHRJSSP-UHFFFAOYSA-N 56965901 BRD-K05906022-001-05-1 limonin 0 92.68 Selleck S2319 Limonin 470.194 CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 KBDSLGBFQAGHBE-MSGMIQHVSA-N 179651 BRD-K64094723-001-01-5 BRD-K05906022-001-07-9 limonin 0 89.75 MedChemEx HY-17411 Limonin 470.194 CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 KBDSLGBFQAGHBE-MSGMIQHVSA-N 179651 BRD-K00003592-001-01-9 linaclotide 0 0 MedChemEx HY-17584 Linaclotide 1525.39 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O KXGCNMMJRFDFNR-WDRJZQOASA-N 16158208 BRD-K96550715-003-01-4 linagliptin 0 62.32 MicroSource 1503880 LINAGLIPTIN HYDROCHLORIDE 472.234 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 LTXREWYXXSTFRX-QGZVFWFLSA-N 10096344 BRD-K96550715-001-03-4 linagliptin 0 0 MicroSource 1506323 LINAGLIPTIN 472.234 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 LTXREWYXXSTFRX-QGZVFWFLSA-N 10096344 BRD-A23155464-001-01-9 BRD-K96550715-001-06-9 linagliptin 0 95.25 MedChemEx HY-10284 Linagliptin 472.234 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 LTXREWYXXSTFRX-QGZVFWFLSA-N 10096344 BRD-K96550715-001-04-2 linagliptin 0 88.62 Selleck S3031 Linagliptin (BI-1356) 472.234 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 LTXREWYXXSTFRX-QGZVFWFLSA-N 10096344 BRD-K96550715-001-02-6 linagliptin 0 85.19 Selleck S3031 Linagliptin 472.234 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 LTXREWYXXSTFRX-QGZVFWFLSA-N 10096344 BRD-K01827427-001-05-9 linalool 0 0 InterBioScreen STOCK1N-50425 154.136 "CC(C)=CCC[C@@](C)(O)C=C |&1:6,r|" CDOSHBSSFJOMGT-JTQLQIEISA-N 443158 BRD-K01827427-001-11-9 linalool 0 0 Sigma MFCD00008906 Linalool 154.136 "CC(C)=CCC[C@@](C)(O)C=C |&1:6,r|" CDOSHBSSFJOMGT-JTQLQIEISA-N 443158 BRD-K00003366-001-01-9 linaprazan 0 96.59 MedChemEx HY-100412 Linaprazan 366.206 Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)C(=O)NCCO GHVIMBCFLRTFHI-UHFFFAOYSA-N 9951066 BRD-K49384696-311-03-9 lincomycin 0 87.45 MedChemEx HY-B1358 Lincomycin (hydrochloride hydrate) 406.214 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O OJMMVQQUTAEWLP-KIDUDLJLSA-N 3000540 BRD-K49384696-003-04-9 lincomycin 0 97.1 Selleck S2479 406.214 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O OJMMVQQUTAEWLP-KIDUDLJLSA-N 3000540 BRD-K93814253-001-06-8 lindane 0 0 MedChemEx HY-A0085 Lindane 287.86 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl JLYXXMFPNIAWKQ-GNIYUCBRSA-N BRD-K93814253-001-05-0 lindane 1 0 MedChemEx HY-A0085 Lindane 287.86 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl JLYXXMFPNIAWKQ-GNIYUCBRSA-N BRD-K93814253-001-04-3 lindane 1 0 MicroSource 330071 LINDANE 287.86 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl JLYXXMFPNIAWKQ-GNIYUCBRSA-N BRD-K66876909-001-15-9 linezolid 0 88.93 Tocris 3765 Linezolid 337.144 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 TYZROVQLWOKYKF-ZDUSSCGKSA-N 441401 BRD-K66876909-001-12-6 linezolid 0 98.39 MicroSource 1502385 LINEZOLID 337.144 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 TYZROVQLWOKYKF-ZDUSSCGKSA-N 441401 BRD-K66876909-001-11-8 linezolid 0 94.8 Selleck S1408 Linezolid 337.144 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 TYZROVQLWOKYKF-ZDUSSCGKSA-N 441401 BRD-K99749624-001-11-9 linifanib 0 99.13 MedChemEx HY-50751 Linifanib 375.15 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3n[nH]c(N)c23)c1 MPVGZUGXCQEXTM-UHFFFAOYSA-N 11485656 BRD-K99749624-001-07-0 linifanib 0 96.2 Selleck S1003 Linifanib (ABT-869) 375.15 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3n[nH]c(N)c23)c1 MPVGZUGXCQEXTM-UHFFFAOYSA-N 11485656 BRD-K08973992-001-06-2 linoleic-acid 0 0 Sigma 62230 "(9Z,12Z)-9,12-octadecadienoic acid" 280.24 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O OYHQOLUKZRVURQ-HZJYTTRNSA-N 5280450 BRD-K59332007-300-03-5 linopirdine 0 98.07 Tocris 1999 Linopirdine dihydrochloride 391.168 O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1 YEJCDKJIEMIWRQ-UHFFFAOYSA-N 3932 BRD-K59332007-300-08-9 linopirdine 0 97.39 Tocris 1999 Linopirdine dihydrochloride 391.168 O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1 YEJCDKJIEMIWRQ-UHFFFAOYSA-N 3932 BRD-K59332007-300-02-7 linopirdine 0 98.43 Tocris 1999 Linopirdine dihydrochloride 391.168 O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1 YEJCDKJIEMIWRQ-UHFFFAOYSA-N 3932 BRD-K72922393-003-16-0 linsidomine 0 94.73 EMDBio 567028-20MG "SIN-1, Hydrochloride" 170.08 Nc1c[n+](no1)N1CCOCC1 XZYRDNUZENBYFI-UHFFFAOYSA-N 65388 BRD-K72922393-003-15-2|BRD-K72922393-003-15-2 BRD-K72922393-003-17-8 linsidomine 0 0 Cayman 82220 170.08 Nc1c[n+](no1)N1CCOCC1 XZYRDNUZENBYFI-UHFFFAOYSA-N 65388 BRD-K86118762-001-08-9 linsitinib 0 95.36 MedChemEx HY-10191 Linsitinib 421.19 C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r| PKCDDUHJAFVJJB-VLZXCDOPSA-N BRD-K86118762-001-01-8 linsitinib 0 88.41 Selleck S1091 OSI-906 (Linsitinib) 421.19 C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r| PKCDDUHJAFVJJB-VLZXCDOPSA-N BRD-K86118762-001-05-9 linsitinib 0 87.1 Selleck S1091 OSI-906 (Linsitinib) 421.19 C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r| PKCDDUHJAFVJJB-VLZXCDOPSA-N BRD-K00004744-001-01-9 lintopride 0 42.76 MedChemEx HY-U00121 Lintopride 310.12 CCN1CCN=C1CNC(=O)c1cc(Cl)c(N)cc1OC |c:5| MJCKISCWHDATBN-UHFFFAOYSA-N 65900 BRD-K89152108-236-12-9 liothyronine 0 94.37 Tocris 5552 Liothyronine sodium 650.79 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-LBPRGKRZSA-N 7048703 BRD-K89152108-236-06-8 liothyronine 0 27.8 MicroSource 1502047 LIOTHYRONINE (L- isomer) SODIUM 650.79 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-LBPRGKRZSA-N 7048703 BRD-K89152108-236-08-4 liothyronine 0 88.33 Sigma T2752-100MG "3,3',5-triiodo-L-thronine sodium salt" 650.79 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-LBPRGKRZSA-N 7048703 BRD-K89152108-236-05-0 liothyronine 0 6.83 Selleck S4217 Liothyronine Sodium 650.79 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-LBPRGKRZSA-N 7048703 BRD-K89152108-236-07-6 liothyronine 0 87.3 Selleck S4217 Liothyronine Sodium 650.79 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-LBPRGKRZSA-N 7048703 BRD-K46428823-001-02-5 liothyronine-(isomer) 0 94.02 MicroSource 1500778 LIOTHYRONINE 650.79 N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O AUYYCJSJGJYCDS-GFCCVEGCSA-N 71212 BRD-A14440173-001-03-4 lipoamide 0 70.53 MicroSource 1505740 LIPOAMIDE 205.06 "NC(=O)CCCC[C@H]1CCSS1 |&1:7,r|" FCCDDURTIIUXBY-ZETCQYMHSA-N 446116 BRD-A14440173-001-04-9 lipoamide 0 80.3 MedChemEx HY-B1142 Lipoamide 205.06 "NC(=O)CCCC[C@H]1CCSS1 |&1:7,r|" FCCDDURTIIUXBY-ZETCQYMHSA-N 446116 BRD-K39084158-001-08-9 liquiritin 0 0 MedChemEx HY-N0376 Liquiritin 418.126 OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3ccc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O DEMKZLAVQYISIA-ZRWXNEIDSA-N 503737 BRD-K00003717-001-01-9 liraglutide 0 88.44 MedChemEx HY-P0014 Liraglutide 3748.946 CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O YSDQQAXHVYUZIW-QCIJIYAXSA-N 16153050 BRD-K35775715-001-04-9 liranaftate 0 99.2 MedChemEx HY-B0348 Liranaftate 328.125 COc1cccc(n1)N(C)C(=S)Oc1ccc2CCCCc2c1 VPHPQNGOVQYUMG-UHFFFAOYSA-N 3936 BRD-K35775715-001-03-1 liranaftate 0 97.22 Selleck S1997 Liranaftate 328.125 COc1cccc(n1)N(C)C(=S)Oc1ccc2CCCCc2c1 VPHPQNGOVQYUMG-UHFFFAOYSA-N 3936 BRD-K31339321-001-03-6 lirimilast 0 87.13 Enamine Z1629752566 441.979 CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(oc2c1)C(=O)c1ccc(Cl)cc1Cl YPFLFUJKZDAXRA-UHFFFAOYSA-N 6433118 BRD-A76533773-001-01-9 lisadimate 0 78.91 Sigma MFCD00017109 "2,3-dihydroxypropyl 4-aminobenzoate" 211.084 "Nc1ccc(cc1)C(=O)OC[C@@H](O)CO |&1:11,r|" WHQOKFZWSDOTQP-VIFPVBQESA-N 25021707 BRD-K67966701-335-15-9 lisinopril 0 76.98 MedChemEx HY-18206A Lisinopril (dihydrate) 405.226 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O RLAWWYSOJDYHDC-BZSNNMDCSA-N 5362119 BRD-K67966701-001-11-6 lisinopril 0 96.45 MicroSource 1501217 LISINOPRIL 405.226 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O RLAWWYSOJDYHDC-BZSNNMDCSA-N 5362119 BRD-K67966701-001-10-8 lisinopril 0 4.7 Selleck S2076 Lisinopril (Zestril) 405.226 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O RLAWWYSOJDYHDC-BZSNNMDCSA-N 5362119 BRD-K67966701-001-12-4 lisinopril 0 100 Selleck S2076 Lisinopril (Zestril) 405.226 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O RLAWWYSOJDYHDC-BZSNNMDCSA-N 5362119 BRD-A05334458-001-02-8 lisofylline 0 99.2 Enzo LP102 Lisofylline 280.154 "C[C@@H](O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O |&1:1,r|" NSMXQKNUPPXBRG-SECBINFHSA-N 501254 BRD-A05334458-001-03-9 lisofylline 0 95.91 AMS H0117 (+/-)-Lisofylline 280.154 "C[C@@H](O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O |&1:1,r|" NSMXQKNUPPXBRG-SECBINFHSA-N 501254 BRD-K67943528-050-01-4 lisuride 0 92.31 Enzo AC1560 Lisuride Maleate 338.211 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| BKRGVLQUQGGVSM-KBXCAEBGSA-N 28864 BRD-K67943528-050-03-9 lisuride 0 94.64 Tocris 4052 Lisuride maleate 338.211 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| BKRGVLQUQGGVSM-KBXCAEBGSA-N 28864 BRD-K73234506-235-02-1 lithium-acetoacetate 1 0 SantaCruz sc-215253 102.032 CC(=O)CC(O)=O WDJHALXBUFZDSR-UHFFFAOYSA-N 96 BRD-M41245765-001-04-2 lithium-citrate 1 0 MicroSource 1504269 LITHIUM CITRATE 213.075 [Li].[Li].[Li].OC(=O)CC(O)(CC(O)=O)C(O)=O PTYJGLZVOMGTRG-UHFFFAOYSA-N BRD-M41245765-001-05-9 lithium-citrate 1 0 Selleck S4399 lithium citrate 213.075 [Li].[Li].[Li].OC(=O)CC(O)(CC(O)=O)C(O)=O PTYJGLZVOMGTRG-UHFFFAOYSA-N BRD-M83658881-001-01-0 BRD-M41245765-001-03-4 lithium-citrate 1 0 Selleck S4399 Lithium Citrate 213.075 [Li].[Li].[Li].OC(=O)CC(O)(CC(O)=O)C(O)=O PTYJGLZVOMGTRG-UHFFFAOYSA-N BRD-M41245765-341-06-9 lithium-citrate 1 0 Selleck S4399 213.075 [Li].[Li].[Li].OC(=O)CC(O)(CC(O)=O)C(O)=O PTYJGLZVOMGTRG-UHFFFAOYSA-N BRD-M41245765-001-06-9|BRD-M41245765-001-06-9|BRD-M41245765-001-06-9|BRD-M41245765-001-06-9 BRD-K20986251-001-14-9 lithocholic-acid 0 98.5 MedChemEx HY-B0172 Lithocholic acid 376.298 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C SMEROWZSTRWXGI-HVATVPOCSA-N 9903 BRD-K83029223-001-01-3 litronesib 0 94.34 MedChemEx HY-14846 Litronesib 511.229 CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 |c:19| YVAFBXLHPINSIK-QHCPKHFHSA-N 25167017 BRD-K59391348-001-01-7 lixivaptan 0 89.39 Carbosynth FL24915 "N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methylbenzamide" 473.131 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 PPHTXRNHTVLQED-UHFFFAOYSA-N 172997 BRD-K70404782-001-02-9 LM-22A4 0 98.49 Tocris 4607 LM 22A4 339.143 OCCNC(=O)c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO RGWJKANXFYJKHN-UHFFFAOYSA-N 2054170 BRD-K70404782-001-01-6 LM-22A4 0 98.29 Tocris 4607 LM 22A4 339.143 OCCNC(=O)c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO RGWJKANXFYJKHN-UHFFFAOYSA-N 2054170 BRD-A04649065-001-01-7 LM11A-31 0 94.1 Enamine Z393627376 2-amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide 243.195 "CC[C@@H](C)[C@@H](N)C(=O)NCCN1CCOCC1 |&1:2,&2:4,r|" YNMUTYLWSRFTPX-GHMZBOCLSA-N 28174760 BRD-K08532119-001-02-9 LMI070 0 96.92 MedChemEx HY-19620 Branaplam 393.216 CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 STWTUEAWRAIWJG-UHFFFAOYSA-N 135565042 BRD-K08532119-001-01-5 LMI070 0 96.89 MedChemEx HY-19620 LMI070 393.216 CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 STWTUEAWRAIWJG-UHFFFAOYSA-N 135565042 BRD-K49921286-001-02-6 LMK-235 0 82.85 Tocris 4830 LMK 235 294.158 Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO VRYZCEONIWEUAV-UHFFFAOYSA-N 71520717 BRD-K49921286-001-01-8 LMK-235 0 Selleck S7569 LMK-235 294.158 Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO "InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)" 71520717 BRD-K66206289-003-22-1 lobeline 0 65.76 MedChemEx HY-B0979 Lobeline (hydrochloride) 337.204 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 MXYUKLILVYORSK-HBMCJLEFSA-N 101616 BRD-K66206289-065-01-4 lobeline 0 56.2 Sigma MFCD00135592 "sulfuric acid compound with 2-{(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanone (1:2)" 337.204 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 MXYUKLILVYORSK-HBMCJLEFSA-N 101616 BRD-M82226456-065-01-7 BRD-K66206289-003-20-5 lobeline 0 62.05 Tocris 1077 (-)-Lobeline hydrochloride 337.204 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 MXYUKLILVYORSK-HBMCJLEFSA-N 101616 BRD-K66206289-003-23-9 lobeline 0 63.97 Enzo ALX-420-023-G001 Lobeline hydrochloride 337.204 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 MXYUKLILVYORSK-HBMCJLEFSA-N 101616 BRD-K66206289-003-21-3 lobeline 0 63.02 MedChemEx HY-B0979 Lobeline (hydrochloride) 337.204 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 MXYUKLILVYORSK-HBMCJLEFSA-N 101616 BRD-K15834839-001-02-3 lobendazole 0 93.92 MicroSource 1505440 LOBENDAZOLE 205.085 CCOC(=O)Nc1nc2ccccc2[nH]1 OKOVSTKGUBOSTB-UHFFFAOYSA-N 22752 BRD-K15834839-001-04-9 lobendazole 0 96.55 AMS A001501590 ethyl 1H-benzimidazol-2-ylcarbamate 205.085 CCOC(=O)Nc1nc2ccccc2[nH]1 OKOVSTKGUBOSTB-UHFFFAOYSA-N 22752 BRD-K55847762-304-01-7 lobenzarit 0 98.34 AKSci K046 291.03 OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O UGDPYGKWIHHBMB-UHFFFAOYSA-N 3946 BRD-K00004554-001-01-9 lodenosine 0 90.21 Sigma MFCD00871105 "((2S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluorotetrahydrofuran-2-yl)methanol" 253.098 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@@H]1F KBEMFSMODRNJHE-JFWOZONXSA-N 72180 BRD-K66937583-001-01-2 lodoxamide 0 94.05 Prestwick Prestw-1746 Lodoxamide 310.995 OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N RVGLGHVJXCETIO-UHFFFAOYSA-N 44564 BRD-K66937583-001-02-9 lodoxamide 0 88.2 MedChemEx HY-14270 Lodoxamide 310.995 OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N RVGLGHVJXCETIO-UHFFFAOYSA-N 44564 BRD-K06388517-001-01-2 lofemizole 0 98.71 AMS A001365113 5-(4-chlorophenyl)-4-methyl-1H-imidazole 192.045 Cc1[nH]cnc1-c1ccc(Cl)cc1 MBKWNJVQSFBLQI-UHFFFAOYSA-N 71967 BRD-K82147103-003-05-6 lofepramine 0 46.37 Key KS-1301 "1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino]ethanone hydrochloride" 418.181 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1 SAPNXPWPAUFAJU-UHFFFAOYSA-N 3947 BRD-K82147103-001-02-7 lofepramine 0 5.55 Tocris 2545 Lofepramine 418.181 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1 SAPNXPWPAUFAJU-UHFFFAOYSA-N 3947 BRD-A02990301-003-05-8 lofexidine 0 96.55 Selleck S4400 Lofexidine HCl 258.033 "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|" KSMAGQUYOIHWFS-SSDOTTSWSA-N 3038503 BRD-A02990301-003-06-6 lofexidine 0 97.02 MicroSource 1502357 LOFEXIDINE HYDROCHLORIDE 258.033 "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|" KSMAGQUYOIHWFS-SSDOTTSWSA-N 3038503 BRD-A02990301-003-07-4 lofexidine 0 96.51 Selleck S4400 Lofexidine HCl 258.033 "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|" KSMAGQUYOIHWFS-SSDOTTSWSA-N 3038503 BRD-K01825701-003-03-9 lomefloxacin 0 92.58 MedChemEx HY-B0455 Lomefloxacin (hydrochloride) 351.139 CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c12 |&1:19| ZEKZLJVOYLTDKK-VIFPVBQESA-N 6603903 BRD-K01825701-213-01-9 lomefloxacin 0 98.31 MicroSource 1502037 LOMEFLOXACIN 412.192 CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c12 |&1:19| ZEKZLJVOYLTDKK-VIFPVBQESA-N 6603903 BRD-K27955832-001-05-2 lomeguatrib 0 71.63 Tocris 4359 Lomeguatrib 324.963 Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 JUJPKFNFCWJBCX-UHFFFAOYSA-N 3025944 BRD-K27955832-001-02-9 lomeguatrib 0 97.23 Selleck S8056 Lomeguatrib 324.963 Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 JUJPKFNFCWJBCX-UHFFFAOYSA-N 3025944 BRD-K62858456-001-01-8 lomerizine 0 97.88 MicroSource 1502303 LOMERIZINE HYDROCHLORIDE 468.222 COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC JQSAYKKFZOSZGJ-UHFFFAOYSA-N 3949 BRD-K62858456-300-01-4 lomerizine 0 97.44 Selleck S4084 Lomerizine HCl 468.222 COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC JQSAYKKFZOSZGJ-UHFFFAOYSA-N 3949 BRD-K66036108-001-01-9 lometrexol 0 66.91 Cayman 18049 "(2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)amino]pentanedioic acid" 443.18 Nc1nc(=O)c2C[C@@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 ZUQBAQVRAURMCL-DOMZBBRYSA-N 135413518 BRD-K92213669-001-01-3 lomitapide 0 91.88 MedChemEx HY-14667 Lomitapide 693.279 FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12 MBBCVAKAJPKAKM-UHFFFAOYSA-N 9853053 BRD-K92213669-001-02-9 lomitapide 0 97.29 MedChemEx HY-14667 Lomitapide 693.279 FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12 MBBCVAKAJPKAKM-UHFFFAOYSA-N 9853053 BRD-K51768138-001-10-9 lomustine 0 0 MedChemEx HY-13669 Lomustine 233.093 [O-][NH2+]N(CCCl)C(=O)NC1CCCCC1 NEXPKUGJJKVILF-UHFFFAOYSA-N 129009938 BRD-K51768138-001-09-1 lomustine 0 0 MedChemEx HY-13669 Lomustine 233.093 [O-][NH2+]N(CCCl)C(=O)NC1CCCCC1 NEXPKUGJJKVILF-UHFFFAOYSA-N 129009938 BRD-K51768138-001-04-2 lomustine 0 0 Selleck S1840 Lomustine 233.093 [O-][NH2+]N(CCCl)C(=O)NC1CCCCC1 NEXPKUGJJKVILF-UHFFFAOYSA-N 129009938 BRD-K51768138-001-05-9 lomustine 0 0 MicroSource 1502301 LOMUSTINE 233.093 [O-][NH2+]N(CCCl)C(=O)NC1CCCCC1 NEXPKUGJJKVILF-UHFFFAOYSA-N 129009938 BRD-K51768138-001-07-5 lomustine 0 0 Selleck S1840 Lomustine (CeeNU) 233.093 [O-][NH2+]N(CCCl)C(=O)NC1CCCCC1 NEXPKUGJJKVILF-UHFFFAOYSA-N 129009938 BRD-K41599323-001-02-3 lonafarnib 0 97.47 Selleck S2797 Lonafarnib 636.05 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 DHMTURDWPRKSOA-RUZDIDTESA-N 148195 BRD-K41599323-001-03-1 lonafarnib 0 98.27 Cayman 11746 Lonafarnib 636.05 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 "InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1" 148195 BRD-K78513633-001-16-5 lonidamine 0 97.72 Tocris 1646 Lonidamine 320.012 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 WDRYRZXSPDWGEB-UHFFFAOYSA-N 39562 BRD-K78513633-001-15-7 lonidamine 0 98.47 MicroSource 1503225 LONIDAMINE 320.012 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 WDRYRZXSPDWGEB-UHFFFAOYSA-N 39562 BRD-K78513633-001-17-9 lonidamine 0 96.46 Tocris 1646 Lonidamine 320.012 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 WDRYRZXSPDWGEB-UHFFFAOYSA-N 39562 BRD-K78513633-001-13-2 lonidamine 0 94.96 Selleck S2610 Lonidamine 320.012 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 WDRYRZXSPDWGEB-UHFFFAOYSA-N 39562 BRD-K78513633-001-14-0 lonidamine 0 97.39 Tocris 1646 Lonidamine 320.012 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 WDRYRZXSPDWGEB-UHFFFAOYSA-N 39562 BRD-K61250553-003-32-2 loperamide 0 98.87 MicroSource 2300241 LOPERAMIDE HYDROCHLORIDE 476.223 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 RDOIQAHITMMDAJ-UHFFFAOYSA-N 3955 BRD-K61250553-003-30-6 loperamide 0 98.09 Tocris 840 Loperamide hydrochloride 476.223 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 RDOIQAHITMMDAJ-UHFFFAOYSA-N 3955 BRD-K61250553-003-29-8 loperamide 0 98.08 Selleck S2480 Loperamide HCl 476.223 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 RDOIQAHITMMDAJ-UHFFFAOYSA-N 3955 BRD-K99451608-001-07-3 lopinavir 0 98.22 Selleck S1380 Lopinavir 628.362 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 KJHKTHWMRKYKJE-SUGCFTRWSA-N 92727 BRD-K99451608-001-08-9 lopinavir 0 98.9 MedChemEx HY-14588 Lopinavir 628.362 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 KJHKTHWMRKYKJE-SUGCFTRWSA-N 92727 BRD-K28935038-001-02-2 loracarbef 0 24.5 Prestwick Prestw-1431 Loracarbef 349.083 N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| JAPHQRWPEGVNBT-UTUOFQBUSA-N 5284585 BRD-K28935038-002-03-9 loracarbef 0 90.89 Toronto L469553 loracarbef monohydrate 349.083 N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10| JAPHQRWPEGVNBT-UTUOFQBUSA-N 5284585 BRD-K82795137-001-28-8 loratadine 0 98.19 Tocris 1944 Loratidine 382.145 CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 JCCNYMKQOSZNPW-UHFFFAOYSA-N 3957 BRD-K82795137-001-26-2 loratadine 0 99.62 MicroSource 1503712 LORATADINE 382.145 CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 JCCNYMKQOSZNPW-UHFFFAOYSA-N 3957 BRD-K82795137-001-24-7 loratadine 0 98.36 Selleck S1358 Loratadine 382.145 CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 JCCNYMKQOSZNPW-UHFFFAOYSA-N 3957 BRD-K82795137-001-29-9 loratadine 0 97.35 Tocris 1944 Loratidine 382.145 CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 JCCNYMKQOSZNPW-UHFFFAOYSA-N 3957 BRD-K82795137-001-25-4 loratadine 0 98.38 Tocris 1944 Loratidine 382.145 CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 JCCNYMKQOSZNPW-UHFFFAOYSA-N 3957 BRD-K09659835-003-02-9 loreclezole 0 96.98 Tocris 1295 Loreclezole hydrochloride 272.963 Cl\C(=C/n1cncn1)c1ccc(Cl)cc1Cl XGLHZTBDUXXHOM-WMZJFQQLSA-N 3034012 BRD-K09659835-003-01-4 loreclezole 0 98.11 Tocris 1295 Loreclezole hydrochloride 272.963 Cl\C(=C/n1cncn1)c1ccc(Cl)cc1Cl XGLHZTBDUXXHOM-WMZJFQQLSA-N 3034012 BRD-K42066335-001-01-0 lorediplon 0 97.58 MedChemEx HY-19371 Lorediplon 394.09 CN(C(C)=O)c1cc(ccc1F)-c1ccnc2c(cnn12)C(=O)c1cccs1 NQPOCLFSADOXBR-UHFFFAOYSA-N 12004146 BRD-K01825818-236-02-9 lorglumide 0 98.26 MedChemEx HY-B1439B Lorglumide sodium salt 458.174 "CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 |&1:13,r|" IEKOTSCYBBDIJC-LJQANCHMSA-N 13605417 BRD-K99879819-001-03-9 lorlatinib 0 95.48 Tocris 5640 PF 06463922 406.155 C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N IIXWYSCJSQVBQM-UHFFFAOYSA-N 78162481 BRD-K99879819-001-02-1 lorlatinib 0 98.73 MedChemEx HY-12215 "(R)-2(6)-amino-5(5)-fluoro-1(1),4,7-trimethyl-6-oxo-1(1)H-3-oxa-7-aza-2(3,5)-pyridina-1(4,3)-pyrazola-5(1,2)-benzenacyclooctaphane-1(5)-carbonitrile" 406.155 C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N IIXWYSCJSQVBQM-UHFFFAOYSA-N 78162481 BRD-A90551241-001-09-0 lornoxicam 0 95.77 Selleck S2047 Lornoxicam 370.98 CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O |t:12| WLHQHAUOOXYABV-UHFFFAOYSA-N 54690031 BRD-A90551241-001-10-8 lornoxicam 0 97.64 MicroSource 1502302 LORNOXICAM 370.98 CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O |t:12| WLHQHAUOOXYABV-UHFFFAOYSA-N 54690031 BRD-K76205745-237-22-9 losartan 0 98.08 MedChemEx HY-17512A Losartan (potassium) 422.162 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 PSIFNNKUMBGKDQ-UHFFFAOYSA-N 3961 BRD-K76205745-001-06-6 losartan 0 94.69 MicroSource 1504268 LOSARTAN 422.162 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 PSIFNNKUMBGKDQ-UHFFFAOYSA-N 3961 BRD-K76205745-237-19-9 losartan 0 91.17 Tocris 3798 Losartan potassium 422.162 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 PSIFNNKUMBGKDQ-UHFFFAOYSA-N 3961 BRD-K76205745-237-16-5 losartan 0 97.85 Selleck S1359 Losartan Potassium (DuP 753) 422.162 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 PSIFNNKUMBGKDQ-UHFFFAOYSA-N 3961 BRD-K76205745-237-18-1 losartan 0 97.14 Pharmeks PHBB_SC-09765.obs1160624 potassium 5-(4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)biphenyl-2-yl)tetrazol-1-ide 422.162 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 PSIFNNKUMBGKDQ-UHFFFAOYSA-N 3961 BRD-K56195681-001-04-9 losmapimod 0 92.58 MedChemEx HY-10402 Losmapimod 383.201 Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 KKYABQBFGDZVNQ-UHFFFAOYSA-N 11552706 BRD-K56195681-001-01-0 losmapimod 0 96.05 MedChemEx HY-10402 Losmapimod 383.201 Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 KKYABQBFGDZVNQ-UHFFFAOYSA-N 11552706 BRD-K00003137-001-01-9 lotamilast 0 90.93 MedChemEx HY-12740 Lotamilast 472.175 CNc1nc(-c2cccc(NC(=O)c3ccc(cc3)C(=O)OC)c2)c2cc(OC)c(OC)cc2n1 BBTFKAOFCSOZMB-UHFFFAOYSA-N 24864553 BRD-K39983086-001-06-1 loteprednol 0 95.55 Selleck S1669 Loteprednol etabonate 466.176 "CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl |c:17,t:13|" DMKSVUSAATWOCU-HROMYWEYSA-N 444025 BRD-K39983086-001-07-9 loteprednol 0 16.47 Selleck S1669 Loteprednol etabonate 466.176 "CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl |c:17,t:13|" DMKSVUSAATWOCU-HROMYWEYSA-N 444025 BRD-K43659793-001-01-6 BRD-K39983086-001-08-9 loteprednol 0 90.8 MedChemEx HY-17358 Loteprednol Etabonate 466.176 "CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl |c:17,t:13|" DMKSVUSAATWOCU-HROMYWEYSA-N 444025 BRD-K09416995-001-43-1 lovastatin 0 83.52 Tocris 1530 Lovastatin 404.256 "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|" PCZOHLXUXFIOCF-BXMDZJJMSA-N 53232 BRD-K09416995-001-39-9 lovastatin 0 86.13 MicroSource 1503977 LOVASTATIN 404.256 "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|" PCZOHLXUXFIOCF-BXMDZJJMSA-N 53232 BRD-K09416995-001-44-9 lovastatin 0 69.68 Selleck S2061 Lovastatin 404.256 "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|" PCZOHLXUXFIOCF-BXMDZJJMSA-N 53232 BRD-K74251557-001-01-0 BRD-K09416995-001-40-7 lovastatin 0 89.65 Selleck S2061 Lovastatin (Mevacor) 404.256 "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|" PCZOHLXUXFIOCF-BXMDZJJMSA-N 53232 BRD-K09416995-001-38-1 lovastatin 0 78.66 Tocris 1530 Lovastatin 404.256 "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|" PCZOHLXUXFIOCF-BXMDZJJMSA-N 53232 BRD-K39915878-036-25-1 loxapine 0 98.5 MicroSource 2300242 LOXAPINE SUCCINATE 327.114 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| XJGVXQDUIWGIRW-UHFFFAOYSA-N 3964 BRD-K39915878-036-24-4 loxapine 0 98.55 Selleck S4086 Loxapine Succinate 327.114 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| XJGVXQDUIWGIRW-UHFFFAOYSA-N 3964 BRD-K39915878-001-26-9 loxapine 0 97.64 MedChemEx HY-17390 Loxapine 327.114 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| XJGVXQDUIWGIRW-UHFFFAOYSA-N 3964 BRD-K21937671-001-10-0 loxistatin-acid 0 89.34 Selleck S7392 Loxistatin Acid (E-64C) 314.184 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O SCMSYZJDIQPSDI-SRVKXCTJSA-N 123664 BRD-A44872635-001-01-8 BRD-K21937671-001-09-2 loxistatin-acid 0 98.39 Selleck S7392 Loxistatin Acid (E-64C) 314.184 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O SCMSYZJDIQPSDI-SRVKXCTJSA-N 123664 BRD-K21937671-001-11-8 loxistatin-acid 0 84.73 Selleck S7392 Loxistatin Acid (E-64C) 314.184 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O SCMSYZJDIQPSDI-SRVKXCTJSA-N 123664 BRD-K01825691-001-04-9 loxoprofen 0 87.89 MedChemEx HY-B0578 Loxoprofen 246.126 "C[C@@H](C(O)=O)c1ccc(C[C@H]2CCCC2=O)cc1 |&1:1,&2:10,r|" YMBXTVYHTMGZDW-ZWNOBZJWSA-N 13049027 BRD-K01825691-001-01-9 loxoprofen 0 98.61 MicroSource 1502386 LOXOPROFEN 246.126 "C[C@@H](C(O)=O)c1ccc(C[C@H]2CCCC2=O)cc1 |&1:1,&2:10,r|" YMBXTVYHTMGZDW-ZWNOBZJWSA-N 13049027 BRD-A18039798-001-01-9 BRD-K01825691-001-02-9 loxoprofen 0 98.22 MedChemEx HY-B0578 Loxoprofen 246.126 "C[C@@H](C(O)=O)c1ccc(C[C@H]2CCCC2=O)cc1 |&1:1,&2:10,r|" YMBXTVYHTMGZDW-ZWNOBZJWSA-N 13049027 BRD-K00004673-001-01-9 LP-533401 0 93.29 Adooq A14325.obs1190502 LP-533401 526.163 N[C@@H](Cc1ccc(cc1)-c1cc(O[C@@H](c2ccc(cc2)-c2cccc(F)c2)C(F)(F)F)nc(N)n1)C(O)=O |&1:13| JZWUKILTKYJLCN-URXFXBBRSA-N 124424929 BRD-K32322923-001-01-7 LPA2-antagonist-1 0 97.22 MedChemEx HY-18075 LPA2 antagonist 1 499.067 C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12 BPRNMVDTWIHULJ-AWEZNQCLSA-N 24882686 BRD-K01436366-001-22-2 LRRK2-IN-1 0 98.57 Tocris 4273 LRRK2-IN-1 570.307 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 IWMCPJZTADUIFX-UHFFFAOYSA-N 46843906 BRD-K01436366-001-20-6 LRRK2-IN-1 0 96.6 MedChemEx HY-10875 LRRK2-IN-1 570.307 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 IWMCPJZTADUIFX-UHFFFAOYSA-N 46843906 BRD-K79337272-001-02-9 LSN-2463359 0 94.08 Tocris 5275 LSN 2463359 265.122 CC(C)NC(=O)c1ccc(cn1)C#Cc1ccncc1 STAFRSGTRKNXHF-UHFFFAOYSA-N 72551298 BRD-K79337272-001-01-6 LSN-2463359 0 96.1 Tocris 5275 LSN 2463359 265.122 CC(C)NC(=O)c1ccc(cn1)C#Cc1ccncc1 STAFRSGTRKNXHF-UHFFFAOYSA-N 72551298 BRD-K00004675-001-01-9 LSZ-102 0 93.38 MedChemEx HY-111486 "(E)-3-[4-[2-[2-(1,1-difluoroethyl)-4-fluoro-phenyl]-6-hydroxy-benzothiophen-3-yl]oxyphenyl]prop-2-enoic acid" 470.08 CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 SJXNPGGVGZXKKI-NYYWCZLTSA-N 118574930 BRD-K52914072-001-01-5 LTA 0 94.91 Enamine Z2372279192 N-phenyl-2-thiophenecarboximidamide 202.056 N=C(Nc1ccccc1)c1cccs1 RCORNHOUCUDCAC-UHFFFAOYSA-N 10219864 BRD-K53124401-001-03-8 LTB4 0 8.37 Enzo LB004 Leukotriene B4 336.23 CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O VNYSSYRCGWBHLG-AMOLWHMGSA-N 5280492 BRD-K00003300-001-01-9 LTX-315 0 95.27 MedChemEx HY-19894 LTX-315 1438.839 NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O GGAKLYWEFZCVIT-TVEKFXMRSA-N 46200994 BRD-K83970940-001-02-9 Lu-AA-47070 0 80.24 Tocris 4783 Lu AA 47070 463.078 CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)\N=c1/sccn1COP(O)(O)=O MSWIQSFUBYCFJE-PGMHBOJBSA-N BRD-K83970940-001-01-0 Lu-AA-47070 0 88.17 Tocris 4783 Lu AA 47070 463.078 CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)\N=c1/sccn1COP(O)(O)=O MSWIQSFUBYCFJE-PGMHBOJBSA-N BRD-K33814251-001-03-9 lubiprostone 0 96.6 MedChemEx HY-B0679 Lubiprostone 390.222 CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O DBVFKLAGQHYVGQ-BFYDXBDKSA-N 9800568 BRD-K33814251-001-01-4 lubiprostone 0 98.91 Selleck S1675 Lubiprostone 390.222 CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O DBVFKLAGQHYVGQ-BFYDXBDKSA-N 9800568 BRD-K33814251-001-02-2 lubiprostone 0 82.47 Selleck S1675 Lubiprostone 390.222 CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O DBVFKLAGQHYVGQ-BFYDXBDKSA-N 9800568 BRD-K58693165-001-01-7 BRD-K00003521-001-01-9 lucanthone 0 96.37 MedChemEx HY-B2098 Lucanthone 340.161 CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 FBQPGGIHOFZRGH-UHFFFAOYSA-N 10180 BRD-K31309378-001-01-5 lucitanib 0 91.38 MedChemEx HY-15391 E-3810 443.185 CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12 CUDVHEFYRIWYQD-UHFFFAOYSA-N 25031915 BRD-K31309378-001-02-3 lucitanib 0 MedChemEx HY-15391 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxy-4-quinolinyl}oxy)-N-methyl-1-naphthamide 443.185 CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12 "InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)" 25031915 BRD-K67079690-001-02-9 LUF-5834 0 96.51 Tocris 4603 LUF 5834 348.079 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N OFHKDLYFKPBXER-UHFFFAOYSA-N 135543624 BRD-K67079690-001-01-2 LUF-5834 0 98.27 Tocris 4603 LUF 5834 348.079 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N OFHKDLYFKPBXER-UHFFFAOYSA-N 135543624 BRD-A71774530-001-05-9 lufenuron 0 97.07 MicroSource 1505355 LUFENURON 509.978 "F[C@@H](C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl |&1:1,r|" PWPJGUXAGUPAHP-AWEZNQCLSA-N 51574136 BRD-A71774530-001-06-9 lufenuron 0 97.89 Sigma 31662 Lufenuron 509.978 "F[C@@H](C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl |&1:1,r|" PWPJGUXAGUPAHP-AWEZNQCLSA-N 51574136 BRD-K71058253-001-02-9 luliconazole 0 98.72 MedChemEx HY-14283 Luliconazole 352.961 Clc1ccc([C@@H]2CS\C(S2)=C(\C#N)n2ccnc2)c(Cl)c1 YTAOBBFIOAEMLL-REQDGWNSSA-N 3003141 BRD-K71058253-001-01-9 luliconazole 0 92.75 Selleck S4258 Luliconazole 352.961 Clc1ccc([C@@H]2CS\C(S2)=C(\C#N)n2ccnc2)c(Cl)c1 YTAOBBFIOAEMLL-REQDGWNSSA-N 3003141 BRD-K69236721-001-03-9 lumacaftor 0 98.1 MedChemEx HY-13262 Lumacaftor 452.118 Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O UFSKUSARDNFIRC-UHFFFAOYSA-N 16678941 BRD-K69236721-001-02-7 lumacaftor 0 98.26 Selleck S1565 VX-809 (Lumacaftor) 452.118 Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O UFSKUSARDNFIRC-UHFFFAOYSA-N 16678941 BRD-K10031916-075-02-1 lumateperone 0 81.32 MedChemEx HY-19733 lumateperone (Tosylate) 393.222 CN1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23 HOIIHACBCFLJET-SFTDATJTSA-N 21302490 BRD-K10031916-075-01-3 lumateperone 0 74.89 MedChemEx HY-19733 lumateperone (Tosylate) 393.222 CN1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23 HOIIHACBCFLJET-SFTDATJTSA-N 21302490 BRD-A05926236-001-04-6 lumefantrine 0 58.57 MedChemEx HY-B0803 Lumefantrine 527.155 "CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 |&1:10,r|" DYLGFOYVTXJFJP-OXTLUBNBSA-N 73416445 BRD-A05926236-001-05-3 lumefantrine 0 54.26 Enamine Z1541758602 527.155 "CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 |&1:10,r|" DYLGFOYVTXJFJP-OXTLUBNBSA-N 73416445 BRD-A58804007-001-01-4 BRD-A05926236-001-03-8 lumefantrine 0 49.03 MedChemEx HY-B0803 Lumefantrine 527.155 "CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 |&1:10,r|" DYLGFOYVTXJFJP-OXTLUBNBSA-N 73416445 BRD-K26901728-001-06-2 lumiracoxib 0 97.35 MicroSource 1502387 LUMIRACOXIB 293.062 Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 KHPKQFYUPIUARC-UHFFFAOYSA-N 151166 BRD-K26901728-001-05-4 lumiracoxib 0 94.13 Selleck S2903 Lumiracoxib 293.062 Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 KHPKQFYUPIUARC-UHFFFAOYSA-N 151166 BRD-K00004532-009-01-9 lupanine 0 91.3 ChemDiv N010-0020 Lupanine 248.189 [H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2C(=O)CCC[C@]12[H] JYIJIIVLEOETIQ-XDQVBPFNSA-N 91471 BRD-K51143828-003-03-1 lurasidone 0 97.97 Selleck S3044 Lurasidone HCl 492.256 O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12 PQXKDMSYBGKCJA-CVTJIBDQSA-N 213046 BRD-K00003211-001-01-9 lurbinectedin 0 93.93 MedChemEx HY-16293 Lurbinectedin 784.278 [H][C@@]12Cc3cc(C)c(OC)c(O)c3[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])c1c(OC(C)=O)c(C)c4OCOc4c21)NCCc1c3[nH]c2ccc(OC)cc12 |THB:16:15:2.3.12:20.19.17| YDDMIZRDDREKEP-HWTBNCOESA-N 57327016 BRD-K00004742-001-01-9 lusaperidone 0 92.42 MedChemEx HY-U00117 Lusaperidone 359.163 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 ZYXHQIPQIKTEDI-UHFFFAOYSA-N 3045401 BRD-K93228461-001-02-9 lusutrombopag 0 97.11 MedChemEx HY-19883 Lusutrombopag 590.141 CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(\C=C(/C)C(O)=O)c(Cl)c3)n2)c1OC NOZIJMHMKORZBA-KJCUYJGMSA-N 49843517 BRD-K16742848-001-02-6 lutein 0 0 Sigma X6250 "(3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol" 568.428 "C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C |c:11,33|" KBPHJBAIARWVSC-RGZFRNHPSA-N 5281243 BRD-K16742848-001-01-8 lutein 0 0 AKSci N653 568.428 "C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C |c:11,33|" KBPHJBAIARWVSC-RGZFRNHPSA-N 5281243 BRD-K05236810-001-19-0 luteolin 0 92.4 Selleck S2320 Luteolin 286.048 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 IQPNAANSBPBGFQ-UHFFFAOYSA-N 5280445 BRD-K67013324-001-04-9 luzindole 0 89.41 Tocris 877 Luzindole 292.158 CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 WVVXBPKOIZGVNS-UHFFFAOYSA-N 122162 BRD-K67013324-001-05-9 luzindole 0 86.54 Tocris 877 Luzindole 292.158 CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 WVVXBPKOIZGVNS-UHFFFAOYSA-N 122162 BRD-K67013324-001-03-1 luzindole 0 40.77 Tocris 877 Luzindole 292.158 CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 WVVXBPKOIZGVNS-UHFFFAOYSA-N 122162 BRD-K32101625-001-01-6 LX1031 0 93.2 MedChemEx HY-13041 LX-1031 538.183 COc1cccc(c1)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F XNMUICFMGGQSMZ-WIOPSUGQSA-N 23633604 BRD-K32101625-001-02-9 LX1031 0 92.94 MedChemEx HY-13041 LX-1031 538.183 COc1cccc(c1)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F XNMUICFMGGQSMZ-WIOPSUGQSA-N 23633604 BRD-K21038058-001-02-7 LX7101 0 81.88 MedChemEx HY-12659 LX7101 451.233 CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 PWPNYABQEOGNNC-UHFFFAOYSA-N 56962369 BRD-K21038058-001-01-9 LX7101 0 78.88 MedChemEx HY-12659 LX7101 451.233 CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 PWPNYABQEOGNNC-UHFFFAOYSA-N 56962369 BRD-K00003107-001-01-9 LXH254 0 97.62 MedChemEx HY-112089 LXH254 502.183 Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 UEPXBTCUIIGYCY-UHFFFAOYSA-N 90456533 BRD-K54520417-001-02-9 LXR-623 0 97.88 MedChemEx HY-10629 LXR-623 422.061 Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F KYWWJENKIMRJBI-UHFFFAOYSA-N 16734800 BRD-K54520417-001-01-2 LXR-623 0 99.59 MedChemEx HY-10629 LXR-623 422.061 Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F KYWWJENKIMRJBI-UHFFFAOYSA-N 16734800 BRD-K00003425-001-01-9 LXS196 0 94.13 MedChemEx HY-101569 LXS196 472.195 CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F XXJXHXJWQSCNPX-UHFFFAOYSA-N 118873253 BRD-K78055238-001-01-8 LY2090314 0 98.37 MedChemEx HY-16294 LY2090314 512.197 Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| HRJWTAWVFDCTGO-UHFFFAOYSA-N 10029385 BRD-K78055238-001-03-9 LY2090314 0 96.21 MedChemEx HY-16294 LY2090314 512.197 Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| HRJWTAWVFDCTGO-UHFFFAOYSA-N 10029385 BRD-K47557313-001-02-7 LY2109761 0 98.4 Selleck S2704 LY2109761 441.216 C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 IHLVSLOZUHKNMQ-UHFFFAOYSA-N 11655119 BRD-K47557313-001-03-9 LY2109761 0 94.39 MedChemEx HY-12075 LY2109761 441.216 C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 IHLVSLOZUHKNMQ-UHFFFAOYSA-N 11655119 BRD-K49519144-001-04-6 LY2140023 0 100 Selleck S6001 LY2140023 (LY404039) 235.015 N[C@]1(CS(=O)(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O AVDUGNCTZRCAHH-MDASVERJSA-N 9834591 BRD-K49519144-001-03-8 LY2140023 0 0 Selleck S6001 LY404039 235.015 N[C@]1(CS(=O)(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O AVDUGNCTZRCAHH-MDASVERJSA-N 9834591 BRD-K34313798-001-01-6 LY215490 0 100 MedChemEx HY-75704 Tezampanel 279.17 OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 ZXFRFPSZAKNPQQ-YTWAJWBKSA-N 127894 BRD-K78118466-001-03-3 LY2157299 0 97.81 Selleck S2230 LY2157299 369.159 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O IVRXNBXKWIJUQB-UHFFFAOYSA-N 10090485 BRD-K78118466-001-04-9 LY2157299 0 97.67 MedChemEx HY-13226 Galunisertib 369.159 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O IVRXNBXKWIJUQB-UHFFFAOYSA-N 10090485 BRD-K37865504-001-05-8 LY2183240 0 96.05 Tocris 2452 LY 2183240 307.143 CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 GZNIYOXWFCDBBJ-UHFFFAOYSA-N 11507802 BRD-K37865504-001-04-1 LY2183240 0 95.66 Tocris 2452 LY 2183240 307.143 CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 GZNIYOXWFCDBBJ-UHFFFAOYSA-N 11507802 BRD-K59227464-334-02-4 LY2228820 0 94.21 Selleck S1494 LY2228820 420.244 CC(C)(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C XPPBBJCBDOEXDN-UHFFFAOYSA-N 11539025 BRD-K59227464-334-03-2 LY2228820 0 76.85 Selleck S1494 LY2228820 420.244 CC(C)(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C XPPBBJCBDOEXDN-UHFFFAOYSA-N 11539025 BRD-K59227464-334-04-9 LY2228820 0 99.32 MedChemEx HY-13241 Ralimetinib dimesylate 420.244 CC(C)(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C XPPBBJCBDOEXDN-UHFFFAOYSA-N 11539025 BRD-K35367061-001-01-1 LY223982 0 95.19 Cayman 10010024 3-(3-(2-carboxyethyl)-4-{[(5E)-6-(4-methoxyphenyl)-5-hexenyl]oxy}benzoyl)benzoic acid 502.199 COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1 SYZSSLLFRVDRHL-QPJJXVBHSA-N 6444688 BRD-K33864865-001-03-3 LY225910 0 98.13 Tocris 1018 LY 225910 501.105 CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O KUECXUACQOYKNB-UHFFFAOYSA-N 4355450 BRD-K33864865-001-04-9 LY225910 0 96.81 Tocris 1018 LY 225910 501.105 CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O KUECXUACQOYKNB-UHFFFAOYSA-N 4355450 BRD-K33864865-001-02-5 LY225910 0 97.94 Tocris 1018 LY 225910 501.105 CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O KUECXUACQOYKNB-UHFFFAOYSA-N 4355450 BRD-K85804405-003-01-3 LY231617 0 90.52 Otava 4920201 "2,6-ditert-butyl-4-[(ethylamino)methyl]phenol hydrochloride" 263.225 CCNCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C WQNYIWJBDGLKEB-UHFFFAOYSA-N 3968 BRD-K04993719-001-01-7 LY2334737 0 95.83 MedChemEx HY-13672 LY2334737 389.176 CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 MEOYFIHNRBNEPI-UXIGCNINSA-N 11646777 BRD-K04993719-001-02-9 LY2334737 0 95.54 MedChemEx HY-13672 LY2334737 389.176 CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 MEOYFIHNRBNEPI-UXIGCNINSA-N 11646777 BRD-K13888115-003-03-0 LY2365109 0 97.65 Tocris 3397 LY 2365109 hydrochloride 385.189 CN(CCOc1ccc(cc1C(C)(C)C)-c1ccc2OCOc2c1)CC(O)=O FKPLJWGRBCQLTL-UHFFFAOYSA-N 11552757 BRD-K13888115-003-02-2 LY2365109 0 96.74 Tocris 3397 LY 2365109 hydrochloride 385.189 CN(CCOc1ccc(cc1C(C)(C)C)-c1ccc2OCOc2c1)CC(O)=O FKPLJWGRBCQLTL-UHFFFAOYSA-N 11552757 BRD-K90171280-001-01-4 LY2452473 0 82.38 Sigma MFCD14666518 "isopropyl (2S)-7-cyano-4-(2-pyridinylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-ylcarbamate" 374.174 CC(C)OC(=O)N[C@@H]1Cc2c(C1)c1cc(ccc1n2Cc1ccccn1)C#N IHIWYQYVBNODSV-KRWDZBQOSA-N 24963749 BRD-K00003131-001-01-9 LY2510924 0 97.77 MedChemEx HY-12488 LY2510924 1188.681 [H][C@]1(CCCN=C(N)N)NC(=O)[C@H](CCCCNC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)N[C@@H](CCCCNC(C)C)C(N)=O IJHWVENTEFSNBC-FHYZPQNHSA-N BRD-K92492521-001-03-7 LY255283 0 94.82 Tocris 2208 LY 255283 360.216 CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 WCGXJPFHTHQNJL-UHFFFAOYSA-N 122023 BRD-K92492521-001-02-9 LY255283 0 97.51 Tocris 2208 LY 255283 360.216 CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 WCGXJPFHTHQNJL-UHFFFAOYSA-N 122023 BRD-K92492521-001-05-9 LY255283 0 94.25 Tocris 2208 LY 255283 360.216 CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 WCGXJPFHTHQNJL-UHFFFAOYSA-N 122023 BRD-K21833260-075-01-1 LY2584702 0 98.81 Selleck S7704 LY2584702 Tosylate 445.164 Cn1cc(nc1C1CCN(CC1)c1ncnc2n[nH]cc12)-c1ccc(F)c(c1)C(F)(F)F FYXRSVDHGLUMHB-UHFFFAOYSA-N 25118925 BRD-K21833260-075-02-9 LY2584702 0 98.31 Adooq A15527 "4-(4-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazol-2-yl)piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonate" 445.164 Cn1cc(nc1C1CCN(CC1)c1ncnc2n[nH]cc12)-c1ccc(F)c(c1)C(F)(F)F FYXRSVDHGLUMHB-UHFFFAOYSA-N 25118925 BRD-K14109347-001-05-9 LY2603618 0 90.74 Selleck S2626 LY2603618 (IC-83) 435.091 Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 SYYBDNPGDKKJDU-ZDUSSCGKSA-N 11955855 BRD-K14109347-001-06-9 LY2603618 0 90.89 MedChemEx HY-14720 Rabusertib 435.091 Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 SYYBDNPGDKKJDU-ZDUSSCGKSA-N 11955855 BRD-K14109347-001-03-4 LY2603618 0 83.7 Selleck S2626 LY2603618 435.091 Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 SYYBDNPGDKKJDU-ZDUSSCGKSA-N 11955855 BRD-K20463415-300-01-4 LY2606368 0 97.61 MedChemEx HY-18174A LY2606368 (dihydrochloride) 365.16 COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)[nH]n1 DOTGPNHGTYJDEP-UHFFFAOYSA-N 46700756 BRD-K20463415-001-01-8 LY2606368 0 86.86 MedChemEx HY-18174 LY2606368 365.16 COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)[nH]n1 DOTGPNHGTYJDEP-UHFFFAOYSA-N 46700756 BRD-K12068470-001-03-3 LY2608204 0 73.7 MedChemEx HY-13529 LY2608204 559.2 O=C(Nc1ncc(SCCN2CCCC2)s1)[C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1 QIIVJLHCZUTGSD-CUBQBAPOSA-N 46832368 BRD-K12068470-001-05-9 LY2608204 0 86.45 MedChemEx HY-13529 LY2608204 559.2 O=C(Nc1ncc(SCCN2CCCC2)s1)[C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1 QIIVJLHCZUTGSD-CUBQBAPOSA-N 46832368 BRD-K12068470-001-02-5 LY2608204 0 97.57 Selleck S2155 LY2608204 559.2 O=C(Nc1ncc(SCCN2CCCC2)s1)[C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1 QIIVJLHCZUTGSD-CUBQBAPOSA-N 46832368 BRD-K12068470-001-04-1 LY2608204 0 82.26 Selleck S2155 LY2608204 559.2 O=C(Nc1ncc(SCCN2CCCC2)s1)[C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1 QIIVJLHCZUTGSD-CUBQBAPOSA-N 46832368 BRD-K69247090-001-01-9 BRD-A64004759-003-01-9 LY266097 0 94.79 Tocris 4081 LY 266097 hydrochloride 370.145 COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC |&1:7| NJLHHCITDFZZSE-QGZVFWFLSA-N 92845961 BRD-A64004759-003-02-9 LY266097 0 94.88 Tocris 4081 LY 266097 hydrochloride 370.145 COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC |&1:7| NJLHHCITDFZZSE-QGZVFWFLSA-N 92845961 BRD-K25630527-001-03-8 LY2784544 0 97.67 Selleck S2179 LY2784544 469.179 Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)[nH]n1 SQSZANZGUXWJEA-UHFFFAOYSA-N 46213929 BRD-K25630527-001-02-0 LY2784544 0 Selleck S2179 LY2784544 469.179 Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)[nH]n1 "InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)" 46213929 BRD-K00003195-001-01-9 LY2795050 0 95.77 MedChemEx HY-15708 LY2795050 407.14 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 LOOCZNLSXJHWTG-NRFANRHFSA-N 56851583 BRD-K18961567-001-01-1 LY2801653 0 99.53 MedChemEx HY-15514 LY2801653 552.172 Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 QHADVLVFMKEIIP-UHFFFAOYSA-N 44603533 BRD-K18961567-001-02-9 LY2801653 0 96.6 MedChemEx HY-15514 Merestinib 552.172 Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 QHADVLVFMKEIIP-UHFFFAOYSA-N 44603533 BRD-K94534639-001-03-9 LY2811376 0 95.92 MedChemEx HY-10472 LY2811376 320.091 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |c:6| MJQMRGWYPNIERM-HNNXBMFYSA-N 44251605 BRD-K94534639-001-02-5 LY2811376 0 96.96 Selleck S1528 LY2811376 320.091 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |c:6| MJQMRGWYPNIERM-HNNXBMFYSA-N 44251605 BRD-K00005249-001-01-9 LY2828360 0 95.34 MedChemEx HY-16642A LY2828360 426.193 CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl UCMNDPDJRSEZPL-UHFFFAOYSA-N 46833780 BRD-K15382985-001-01-7 LY2857785 0 96.73 MedChemEx HY-12293 LY2857785 448.295 CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r| LHIUZPIDLZYPRL-MXVIHJGJSA-N BRD-K17203476-001-01-9 LY2874455 0 90.03 MedChemEx HY-13304 LY2874455 443.092 C[C@@H](Oc1ccc2n[nH]c(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl GKJCVYLDJWTWQU-CXLRFSCWSA-N 46944259 BRD-K17203476-001-02-9 LY2874455 0 94.98 MedChemEx HY-13304 LY2874455 443.092 C[C@@H](Oc1ccc2n[nH]c(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl GKJCVYLDJWTWQU-CXLRFSCWSA-N 46944259 BRD-K24675965-001-06-9 LY288513 0 92.87 Tocris 1524 LY 288513 435.058 Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 LMUQHXHWJWQXSD-PMACEKPBSA-N 2802894 BRD-K24675965-001-04-1 LY288513 0 4.58 Tocris 1524 LY 288513 435.058 Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 LMUQHXHWJWQXSD-PMACEKPBSA-N 2802894 BRD-K51258098-001-02-9 LY2886721 0 99.23 MedChemEx HY-13240 LY2886721 390.096 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |t:1| NIDRNVHMMDAAIK-YPMLDQLKSA-N 49837968 BRD-K27305650-001-16-6 LY294002 0 96.09 Selleck S1105 LY294002 307.121 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 CZQHHVNHHHRRDU-UHFFFAOYSA-N 3973 BRD-K27305650-003-03-0 LY294002 0 69.33 Tocris 1130 LY 294002 hydrochloride 307.121 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 CZQHHVNHHHRRDU-UHFFFAOYSA-N 3973 BRD-K27305650-003-02-2 LY294002 0 83.24 Tocris 1130 LY 294002 hydrochloride 307.121 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 CZQHHVNHHHRRDU-UHFFFAOYSA-N 3973 BRD-K68220839-413-02-8 LY2979165 0 97.2 MedChemEx HY-13239 LY2979165 355.095 C[C@H](N)C(=O)N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O BBGHHIUQOKQCBW-LDZWZCGGSA-N 53246986 BRD-K68220839-413-01-0 LY2979165 0 14.17 MedChemEx HY-13239 LY2979165 355.095 C[C@H](N)C(=O)N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O BBGHHIUQOKQCBW-LDZWZCGGSA-N 53246986 BRD-K21070437-001-01-4 LY3000328 0 96.06 MedChemEx HY-15533 Cathepsin S inhibitor 484.212 CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 NDEBZCZEAVMSQF-GOTSBHOMSA-N 67475270 BRD-K38385169-001-04-5 LY3009120 0 95.74 MedChemEx HY-12558 "1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea" 424.239 CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C HHCBMISMPSAZBF-UHFFFAOYSA-N 71721540 BRD-K38385169-001-03-7 LY3009120 0 95.71 Selleck S7842 LY3009120 424.239 CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C HHCBMISMPSAZBF-UHFFFAOYSA-N 71721540 BRD-K82967180-001-01-6 LY3023414 0 96.66 MedChemEx HY-12513 LY3023414 406.2 CO[C@@H](C)Cn1c2c(cnc3ccc(cc23)-c2cncc(c2)C(C)(C)O)n(C)c1=O ACCFLVVUVBJNGT-AWEZNQCLSA-N 57519748 BRD-K22385716-001-03-3 LY303511 0 95.92 Tocris 2418 LY 303511 306.137 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1 NGAGMBNBKCDCDJ-UHFFFAOYSA-N 3971 BRD-K22385716-001-02-5 LY303511 0 95.98 Tocris 2418 LY 303511 306.137 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1 NGAGMBNBKCDCDJ-UHFFFAOYSA-N 3971 BRD-K22385716-001-04-9 LY303511 0 92.73 Tocris 2418 LY 303511 306.137 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1 NGAGMBNBKCDCDJ-UHFFFAOYSA-N 3971 BRD-K41194171-003-09-7 LY310762 0 97.19 MedChemEx HY-13527 LY310762 394.206 CC1(C)C(=O)N(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)c2ccccc12 KDXISMANFPJVJY-UHFFFAOYSA-N 4282258 BRD-K00004565-001-01-9 LY311727 0 91.26 Sigma MFCD00943218 3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propylphosphonic acid 430.166 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1 OPWQYOUZRHDKBR-UHFFFAOYSA-N 155922 BRD-K00003446-001-01-9 LY3200882 0 97.88 MedChemEx HY-103021 LY3200882 435.227 CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccn1 PNPFMWIDAKQFPY-UHFFFAOYSA-N 121249291 BRD-K78637815-001-02-2 LY320135 0 98.54 Tocris 2387 LY 320135 383.116 COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(=O)c1ccc(cc1)C#N RYNSGDFWBJWWSZ-UHFFFAOYSA-N 5311257 BRD-K78637815-001-03-9 LY320135 0 97.77 Tocris 2387 LY 320135 383.116 COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(=O)c1ccc(cc1)C#N RYNSGDFWBJWWSZ-UHFFFAOYSA-N 5311257 BRD-K00003416-001-01-9 LY3214996 0 95.21 MedChemEx HY-101494 LY3214996 453.195 Cn1nccc1Nc1nccc(n1)-c1cc2C(=O)N(CCN3CCOCC3)C(C)(C)c2s1 JNPRPMBJODOFEC-UHFFFAOYSA-N 121408882 BRD-K00004722-001-01-9 LY3295668 0 86.53 MedChemEx HY-114258 LY3295668 489.174 C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc1cccc(Cl)c1F)C(O)=O YQQZZYYQTCPEAS-OYLFLEFRSA-N 121333423 BRD-K00003451-001-01-9 LY334370 0 96.67 MedChemEx HY-103107 LY334370 351.175 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 MDMJLMDBRQXOOI-UHFFFAOYSA-N 5311258 BRD-K95899059-003-03-6 LY344864 0 86.9 Tocris 2451 LY 344864 hydrochloride 351.175 CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 GKWHICIUSVVNGX-MRXNPFEDSA-N 5311097 BRD-K95899059-003-02-8 LY344864 0 78.37 Tocris 2451 LY 344864 hydrochloride 351.175 CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 GKWHICIUSVVNGX-MRXNPFEDSA-N 5311097 BRD-K95899059-003-04-9 LY344864 0 88.86 Tocris 2451 LY 344864 hydrochloride 351.175 CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 GKWHICIUSVVNGX-MRXNPFEDSA-N 5311097 BRD-K06234293-001-04-2 LY364947 0 98.09 Tocris 2718 LY 364947 272.106 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 IBCXZJCWDGCXQT-UHFFFAOYSA-N 447966 BRD-K06234293-001-03-4 LY364947 0 92.55 Selleck S2805 LY364947 272.106 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 IBCXZJCWDGCXQT-UHFFFAOYSA-N 447966 BRD-K06234293-001-05-9 LY364947 0 91.4 Tocris 2718 LY 364947 272.106 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 IBCXZJCWDGCXQT-UHFFFAOYSA-N 447966 BRD-K08534264-001-01-4 LY393558 0 15.46 Tocris 3350 LY 393558 546.177 CC(C)N1Cc2cc(ccc2N(CCN2CCC(=CC2)c2c[nH]c3cc(F)ccc23)S1(=O)=O)S(C)(=O)=O |c:18| QUSLYAPLTMMCFE-UHFFFAOYSA-N 10347428 BRD-K08534264-001-02-9 LY393558 0 66.97 Tocris 3350 LY 393558 546.177 CC(C)N1Cc2cc(ccc2N(CCN2CCC(=CC2)c2c[nH]c3cc(F)ccc23)S1(=O)=O)S(C)(=O)=O |c:18| QUSLYAPLTMMCFE-UHFFFAOYSA-N 10347428 BRD-A50062753-001-01-3 LY404187 0 90.87 Tocris 5297 LY 404187 342.14 "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(cc1)C#N |&1:8,r|" HOQAVGZLYRYHSO-HNNXBMFYSA-N 66857735 BRD-A50062753-001-02-9 LY404187 0 94.79 Tocris 5297 LY 404187 342.14 "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(cc1)C#N |&1:8,r|" HOQAVGZLYRYHSO-HNNXBMFYSA-N 66857735 BRD-K20013301-001-03-9 LY411575 0 97.7 MedChemEx HY-50752 LY-411575 479.166 C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ULSSJYNJIZWPSB-CVRXJBIPSA-N 10435235 BRD-K20013301-001-02-6 LY411575 0 97.33 Selleck S2714 LY411575 479.166 C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ULSSJYNJIZWPSB-CVRXJBIPSA-N 10435235 BRD-K54538117-001-01-7 LY450108 0 94.81 MedChemEx HY-10935 LY450108 396.132 CC(C)S(=O)(=O)NC[C@H](C)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ACOXQYLJOQAHST-ZDUSSCGKSA-N 9843690 BRD-K87696786-003-05-1 LY456236 0 96.96 Tocris 2390 LY 456236 hydrochloride 281.116 COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1 XPJOMFBGKIABQW-UHFFFAOYSA-N 9926999 BRD-K87696786-003-04-4 LY456236 0 97.15 Tocris 2390 LY 456236 hydrochloride 281.116 COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1 XPJOMFBGKIABQW-UHFFFAOYSA-N 9926999 BRD-K87696786-003-06-9 LY456236 0 96.26 Tocris 2390 LY 456236 hydrochloride 281.116 COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1 XPJOMFBGKIABQW-UHFFFAOYSA-N 9926999 BRD-K37083340-001-02-3 lycopene 1 0 AKSci 70759 536.438 CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C OAIJSZIZWZSQBC-GYZMGTAESA-N 446925 BRD-K62289640-003-05-9 lylamine 0 100 Tocris 2139 Leelamine hydrochloride 285.246 CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1 JVVXZOOGOGPDRZ-SLFFLAALSA-N 62034 BRD-K62289640-003-02-7 lylamine 0 69.31 Tocris 2139 Leelamine hydrochloride 285.246 CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1 JVVXZOOGOGPDRZ-SLFFLAALSA-N 62034 BRD-K00004536-001-01-9 lymecycline 0 0 Key KS-1366 "(2S)-6-{[({[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenyl]carbonyl}amino)methyl]amino}-2-aminohexanoic acid" 602.259 "CN(C)[C@H]1[C@@H]2C[C@H]3[C@@H](C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)[C@H](C(=O)NCNCCCC[C@H](N)C(O)=O)C1=O |&1:7,&2:26|" DZTKAWPWXGIREW-KKSKXDPKSA-N BRD-K39707084-001-05-8 lynestrenol 0 0 Sigma MFCD00051135 (17beta)-17-ethynylestr-4-en-17-ol 284.214 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8| YNVGQYHLRCDXFQ-XGXHKTLJSA-N 5857 BRD-K39707084-001-04-1 lynestrenol 0 0 Prestwick Prestw-95 Lynestrenol 284.214 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8| YNVGQYHLRCDXFQ-XGXHKTLJSA-N 5857 BRD-K93331255-001-03-9 lypressin 0 57.73 MedChemEx HY-P0004 Lysipressin 1055.432 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O BJFIDCADFRDPIO-KKSWSVFASA-N 133588927 BRD-K93331255-001-02-0 lypressin 0 70.31 Apollo BITH3033 1055.432 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O BJFIDCADFRDPIO-KKSWSVFASA-N 133588927 BRD-A96977263-001-03-7 M-14157 1 0 Enzo KC141 5-Hydroxydecanoate 188.141 CCCCCC(O)CCCC(O)=O LMHJFKYQYDSOQO-UHFFFAOYSA-N 1825 BRD-K51265828-001-02-9 M-25 0 98.59 Tocris 4917 M 25 379.226 CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1OC WATNXVHKRRTUFK-UHFFFAOYSA-N 44250034 BRD-K51265828-001-01-0 M-25 0 98.33 Tocris 4917 M 25 379.226 CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1OC WATNXVHKRRTUFK-UHFFFAOYSA-N 44250034 BRD-K45528773-001-08-0 M-344 0 80.39 Tocris 2771 M 344 307.19 CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO MXWDSZWTBOCWBK-UHFFFAOYSA-N 3994 BRD-K45528773-001-07-2 M-344 0 97.25 Selleck S2779 M344 307.19 CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO MXWDSZWTBOCWBK-UHFFFAOYSA-N 3994 BRD-K45528773-001-06-4 M-344 0 89.82 Selleck S2779 M344 307.19 CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO MXWDSZWTBOCWBK-UHFFFAOYSA-N 3994 BRD-K09635314-001-04-2 m-3M3FBS 0 98.71 Tocris 1941 m-3M3FBS 343.085 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F ZIIUUSVHCHPIQD-UHFFFAOYSA-N 761523 BRD-K09635314-001-03-4 m-3M3FBS 0 98.86 Tocris 1941 m-3M3FBS 343.085 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F ZIIUUSVHCHPIQD-UHFFFAOYSA-N 761523 BRD-K36965586-003-10-9 m-chlorophenylbiguanide 0 96.25 Tocris 440 m-Chlorophenylbiguanide hydrochloride 211.062 NC(N)=NC(=N)Nc1cccc(Cl)c1 DIHXJZHAIHGSAW-UHFFFAOYSA-N 1354 BRD-K36965586-003-08-8 m-chlorophenylbiguanide 0 93.77 Tocris 440 m-Chlorophenylbiguanide hydrochloride 211.062 NC(N)=NC(=N)Nc1cccc(Cl)c1 DIHXJZHAIHGSAW-UHFFFAOYSA-N 1354 BRD-K91147684-001-01-5 m-THP 0 88.76 FrontierSci T678-1 678.227 Oc1cccc(c1)-c1c2ccc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc1n2 XAEPFBXVLMACNN-LWQDQPMZSA-N BRD-K90410034-003-01-1 M8-B 0 93.81 Tocris 5324 M8 B hydrochloride 396.151 COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1 UOGGWHBYFVBUIY-UHFFFAOYSA-N 11675630 BRD-K90410034-003-02-9 M8-B 0 97.89 Tocris 5324 M8 B hydrochloride 396.151 COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1 UOGGWHBYFVBUIY-UHFFFAOYSA-N 11675630 BRD-A93683007-001-01-9 mabuprofen 0 91.14 Enamine Z1537048897 N-(2-hydroxyethyl)-2-(4-isobutylphenyl)propanamide 249.173 "CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCO |&1:10,r|" JVGUNCHERKJFCM-GFCCVEGCSA-N 11391028 BRD-A93683007-001-02-7 mabuprofen 0 88.87 Enamine Z1537048897 Aminoprofen 249.173 "CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCO |&1:10,r|" JVGUNCHERKJFCM-GFCCVEGCSA-N 11391028 BRD-A13116749-003-01-6 mabuterol 0 98.26 Sigma 32573 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol hydrochloride 310.106 CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(c1)C(F)(F)F |&1:6| JSJCTEKTBOKRST-SNVBAGLBSA-N 11551355 BRD-K94948151-001-07-4 macelignan 0 97.67 MedChemEx HY-N0064 Macelignan 328.167 COc1cc(C[C@H](C)[C@H](C)Cc2ccc3OCOc3c2)ccc1O QDDILOVMGWUNGD-UONOGXRCSA-N 10404245 BRD-K48812570-001-02-3 macitentan 0 88.56 Selleck S8051 Macitentan 585.963 CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 JGCMEBMXRHSZKX-UHFFFAOYSA-N 16004692 BRD-K48812570-001-04-9 macitentan 0 95.48 MedChemEx HY-14184 Macitentan 585.963 CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 JGCMEBMXRHSZKX-UHFFFAOYSA-N 16004692 BRD-K48812570-001-03-1 macitentan 0 90.02 Selleck S8051 Macitentan 585.963 CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 JGCMEBMXRHSZKX-UHFFFAOYSA-N 16004692 BRD-K00003167-001-01-9 macitentan-n-butyl-analogue 0 96.96 MedChemEx HY-14184A Macitentan (n-butyl analogue) 584.968 CCCCS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 OZBDTKLWBSATSN-UHFFFAOYSA-N 71449713 BRD-K16343284-001-02-9 macozinone 0 91.6 MedChemEx HY-12903 Macozinone 456.144 [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F BJDZBXGJNBMCAV-UHFFFAOYSA-N 57331386 BRD-K00003328-001-01-9 madecassoside 0 74.02 MedChemEx HY-N0568 Madecassoside 974.509 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:3| BNMGUJRJUUDLHW-HCZMHFOYSA-N 24825675 BRD-K48905682-001-11-1 madrasin 0 96.14 PrincetonBio OSSM_012298 Madrasin 311.138 COc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1 QQJIYKXTEMDJFM-UHFFFAOYSA-N 135444382 BRD-K30649484-015-15-9 mafenide 0 93.2 MedChemEx HY-B0614A Mafenide (Acetate) 186.046 NCc1ccc(cc1)S(N)(=O)=O TYMRLRRVMHJFTF-UHFFFAOYSA-N 3998 BRD-K30649484-003-13-7 mafenide 0 100 MicroSource 1500372 MAFENIDE HYDROCHLORIDE 186.046 NCc1ccc(cc1)S(N)(=O)=O TYMRLRRVMHJFTF-UHFFFAOYSA-N 3998 BRD-K26168087-001-09-7 magnolol 0 93.11 Selleck S2321 Magnolol 266.131 Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O VVOAZFWZEDHOOU-UHFFFAOYSA-N 72300 BRD-A01976766-001-06-8 malathion 0 47.28 MedChemEx HY-B0943 Malathion 330.036 "CCOC(=O)C[C@@H](SP(=S)(OC)OC)C(=O)OCC |&1:6,r|" JXSJBGJIGXNWCI-MRVPVSSYSA-N 12358970 BRD-A01976766-001-04-3 malathion 0 28.91 MicroSource 330021 MALATHION 330.036 "CCOC(=O)C[C@@H](SP(=S)(OC)OC)C(=O)OCC |&1:6,r|" JXSJBGJIGXNWCI-MRVPVSSYSA-N 12358970 BRD-A01976766-001-07-6 malathion 0 78.47 MedChemEx HY-B0943 Malathion 330.036 "CCOC(=O)C[C@@H](SP(=S)(OC)OC)C(=O)OCC |&1:6,r|" JXSJBGJIGXNWCI-MRVPVSSYSA-N 12358970 BRD-A18396475-001-16-1 malic-acid 1 100 Enamine Z104473230 malic acid 134.022 "O[C@@H](CC(O)=O)C(O)=O |&1:1,r|" BJEPYKJPYRNKOW-REOHCLBHSA-N 222656 BRD-A18396475-001-15-3 malic-acid 1 0 Enamine Z104473230 134.022 "O[C@@H](CC(O)=O)C(O)=O |&1:1,r|" BJEPYKJPYRNKOW-REOHCLBHSA-N 222656 BRD-K97884852-001-06-9 malotilate 0 93.58 MedChemEx HY-A0060 Malotilate 288.049 CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1 |c:15| YPIQVCUJEKAZCP-UHFFFAOYSA-N 4006 BRD-K97884852-001-05-4 malotilate 0 96.64 Selleck S1137 Malotilate 288.049 CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1 |c:15| YPIQVCUJEKAZCP-UHFFFAOYSA-N 4006 BRD-K01624185-001-05-7 maltobionic-acid 0 100 CombiBlocks QA-2870 358.111 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O JYTUSYBCFIZPBE-AMTLMPIISA-N 7314 BRD-A91448670-001-06-4 mandelic-acid 0 0 Enamine Z104473974 152.047 "O[C@@H](C(O)=O)c1ccccc1 |&1:1,r|" IWYDHOAUDWTVEP-SSDOTTSWSA-N 11914 BRD-A91448670-001-08-9 mandelic-acid 0 97.99 MedChemEx HY-W015591 2-Hydroxy-2-phenylacetic acid 152.047 "O[C@@H](C(O)=O)c1ccccc1 |&1:1,r|" IWYDHOAUDWTVEP-SSDOTTSWSA-N 11914 BRD-K57365211-314-01-4 mangafodipir 0 0 MicroSource 1503840 MANGAFODIPIR TRISODIUM 691.061 Cc1nc(COP(O)(O)=O)cc2CN(CC(O)=O)CCN(CC(O)=O)Cc3cc(COP(O)(O)=O)nc(C)c3O[Mn]Oc12 CXFKOLCMCRBYPL-UHFFFAOYSA-L 76967443 BRD-K57365211-314-03-9 mangafodipir 1 0 MedChemEx HY-B0993 Mangafodipir (trisodium) 691.061 Cc1nc(COP(O)(O)=O)cc2CN(CC(O)=O)CCN(CC(O)=O)Cc3cc(COP(O)(O)=O)nc(C)c3O[Mn]Oc12 CXFKOLCMCRBYPL-UHFFFAOYSA-L 76967443 BRD-K57365211-314-02-2 mangafodipir 1 0 MedChemEx HY-B0993 Mangafodipir (trisodium) 691.061 Cc1nc(COP(O)(O)=O)cc2CN(CC(O)=O)CCN(CC(O)=O)Cc3cc(COP(O)(O)=O)nc(C)c3O[Mn]Oc12 CXFKOLCMCRBYPL-UHFFFAOYSA-L 76967443 BRD-A81339141-314-01-6|BRD-U27874988-000-01-6 BRD-K01825587-300-02-9 manidipine 0 92.09 Selleck S2482 Manidipine 2HCl 682.232 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r,c:4,9|" ANEBWFXPVPTEET-JGCGQSQUSA-N 13632719 BRD-K00004729-001-01-9 manitimus 0 92.37 MedChemEx HY-101603 Manitimus 308.077 "FC(F)(F)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC#C)cc1 |&1:11,r|" MYMWDZLPEPMSCN-GFCCVEGCSA-N BRD-K30374899-001-09-3 mannitol-D 0 100 Selleck S2381 D-Mannitol 182.079 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-KVTDHHQDSA-N 6251 BRD-K03319035-003-18-9 maprotiline 0 98.66 Tocris 935 Maprotiline hydrochloride 277.183 CNCCC[C@@]12CC[C@@H](c3ccccc13)c1ccccc21 |r| QSLMDECMDJKHMQ-GSXCWMCISA-N BRD-K00004293-001-01-9 maraviroc 0 93.43 Tocris 3756 Maraviroc 513.328 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 GSNHKUDZZFZSJB-QYOOZWMWSA-N BRD-K71926323-001-13-8 marbofloxacin 0 96.71 MicroSource 1506324 MARBOFLOXACIN 362.139 CN1CCN(CC1)c1c(F)cc2c3c1OCN(C)n3cc(C(O)=O)c2=O BPFYOAJNDMUVBL-UHFFFAOYSA-N 60651 BRD-K71926323-001-14-6 marbofloxacin 0 99.41 Selleck S1464 Marbofloxacin 362.139 CN1CCN(CC1)c1c(F)cc2c3c1OCN(C)n3cc(C(O)=O)c2=O BPFYOAJNDMUVBL-UHFFFAOYSA-N 60651 BRD-K71926323-001-12-0 marbofloxacin 0 92.86 Selleck S1464 Marbofloxacin 362.139 CN1CCN(CC1)c1c(F)cc2c3c1OCN(C)n3cc(C(O)=O)c2=O BPFYOAJNDMUVBL-UHFFFAOYSA-N 60651 BRD-K59524082-001-01-3 maribavir 0 94.38 MedChemEx HY-16305 Maribavir 375.075 CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O KJFBVJALEQWJBS-XUXIUFHCSA-N 471161 BRD-K59524082-001-02-9 maribavir 0 96.75 MedChemEx HY-16305 Maribavir 375.075 CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O KJFBVJALEQWJBS-XUXIUFHCSA-N 471161 BRD-K21396683-001-04-8 marimastat 0 92.47 MedChemEx HY-12169 Marimastat 331.211 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C OCSMOTCMPXTDND-OUAUKWLOSA-N 119031 BRD-K21396683-001-03-0 marimastat 0 94.62 EMDBio 444289 Marimastat 331.211 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C "InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1" 119031 BRD-K76594255-001-01-6 maropitant 0 97.11 MedChemEx HY-10053 Maropitant 468.314 COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)(C)C OMPCVMLFFSQFIX-CONSDPRKSA-N 204108 BRD-K71035033-001-08-9 masitinib 0 92.11 Selleck S1064 Masitinib (AB1010) 498.22 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 WJEOLQLKVOPQFV-UHFFFAOYSA-N 10074640 BRD-K71035033-001-07-1 masitinib 0 94.17 Selleck S1064 Masitinib (AB1010) 498.22 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 WJEOLQLKVOPQFV-UHFFFAOYSA-N 10074640 BRD-A87130939-001-07-9 masoprocol 0 91.85 Enzo EI101 NDGA 302.152 "C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1 |&1:1,&2:11,r|" HCZKYJDFEPMADG-RYUDHWBXSA-N 688035 BRD-A87130939-001-08-9 masoprocol 0 97.16 MedChemEx HY-N0198 Nordihydroguaiaretic acid 302.152 "C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1 |&1:1,&2:11,r|" HCZKYJDFEPMADG-RYUDHWBXSA-N 688035 BRD-K08623988-001-02-8 matrine 0 91.99 Selleck S2322 (+)-Matrine 248.189 O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZSBXGIUJOOQZMP-JLNYLFASSA-N 91466 BRD-K00003497-001-01-9 mavacamten 0 95.99 MedChemEx HY-109037 Mavacamten 273.148 CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O RLCLASQCAPXVLM-NSHDSACASA-N 117761397 BRD-K00003237-001-01-9 mavatrep 0 99.07 MedChemEx HY-16935 Mavatrep 422.161 CC(C)(O)c1ccccc1-c1ccc2nc(\C=C\c3ccc(cc3)C(F)(F)F)[nH]c2c1 ORDHXXHTBUZRCN-NTEUORMPSA-N 17751090 BRD-K07790550-001-01-6 mavoglurant 0 93 MedChemEx HY-15257 Mavoglurant 313.168 COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1 ZFPZEYHRWGMJCV-ZHALLVOQSA-N 9926832 BRD-K47318833-001-04-9 maxacalcitol 0 Cayman JRSACHER_006-10-1 22-oxacalcitriol 418.308 C[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C DTXXSJZBSTYZKE-ZDQKKZTESA-N 6398761 BRD-K47318833-001-03-9 maxacalcitol 0 91.47 MedChemEx HY-15329 Maxacalcitol-D6 418.308 C[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C DTXXSJZBSTYZKE-ZDQKKZTESA-N 6398761 BRD-K15898725-001-01-7 maytansinol-isobutyrate 0 78.12 MedChemEx HY-15739 Ansamitocin P-3 634.266 "CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2 |c:5,t:3|" OPQNCARIZFLNLF-HSBZPDDFSA-N 131857169 BRD-K32218650-001-01-6 MBX-2982 0 98.92 MedChemEx HY-15291 MBX-2982 448.179 CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 NFTMKHWBOINJGM-UHFFFAOYSA-N 25025505 BRD-K32218650-001-02-9 MBX-2982 0 95.73 MedChemEx HY-15291 MBX-2982 448.179 CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 NFTMKHWBOINJGM-UHFFFAOYSA-N 25025505 BRD-K50712474-002-02-5 MC-1 0 0 Sigma MFCD00149414 (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate 247.025 Cc1ncc(COP(O)(O)=O)c(C=O)c1O NGVDGCNFYWLIFO-UHFFFAOYSA-N 1051 BRD-K50712474-001-02-7 MC-1 0 0 Vitas-M STL185213 247.025 Cc1ncc(COP(O)(O)=O)c(C=O)c1O NGVDGCNFYWLIFO-UHFFFAOYSA-N 1051 BRD-K24031866-001-03-9 MC1568 0 89.02 MedChemEx HY-16914 MC1568 314.107 Cn1c(\C=C\C(=O)NO)ccc1\C=C\C(=O)c1cccc(F)c1 QQDIFLSJMFDTCQ-FIFLTTCUSA-N 71311876 BRD-K24031866-001-02-1 MC1568 0 7.76 Selleck S1484 MC1568 314.107 Cn1c(\C=C\C(=O)NO)ccc1\C=C\C(=O)c1cccc(F)c1 QQDIFLSJMFDTCQ-FIFLTTCUSA-N 71311876 BRD-K94335714-001-07-4 BRD-K24031866-001-01-3 MC1568 0 4.49 Selleck S1484 MC1568 314.107 Cn1c(\C=C\C(=O)NO)ccc1\C=C\C(=O)c1cccc(F)c1 QQDIFLSJMFDTCQ-FIFLTTCUSA-N 71311876 BRD-K94335714-001-06-6 BRD-K55418700-001-03-0 MCC950 0 37.23 MedChemEx HY-12815 MCC950 404.141 CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 HUUSXLKCTQDPGL-UHFFFAOYSA-N 9910393 BRD-K55418700-001-02-2 MCC950 0 0 MedChemEx HY-12815 MCC950 404.141 CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 HUUSXLKCTQDPGL-UHFFFAOYSA-N 9910393 BRD-K31168993-001-02-8 McN-5652-(+/-) 0 26.5 Tocris 2148 (?)-McN 5652 295.139 CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 YVKDUIAAPBKHMJ-MOPGFXCFSA-N 6336338 BRD-K31168993-001-03-9 McN-5652-(+/-) 0 85.79 Tocris 2148 (+/-)-McN 5652 295.139 CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 YVKDUIAAPBKHMJ-MOPGFXCFSA-N 6336338 BRD-K73276278-305-01-1 MCOPPB 0 96.23 Tocris 3763 MCOPPB trihydrochloride 408.325 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 CYYNMPPFEJPBJD-OAQYLSRUSA-N 24800108 BRD-K73276278-305-02-9 MCOPPB 0 96.78 Tocris 3763 MCOPPB trihydrochloride 408.325 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 CYYNMPPFEJPBJD-OAQYLSRUSA-N 24800108 BRD-K75844781-001-09-9 mCPP 0 80.29 Sigma MFCD00040732 1-(3-CHLOROPHENYL)PIPERAZINE 196.077 Clc1cccc(c1)N1CCNCC1 VHFVKMTVMIZMIK-UHFFFAOYSA-N 1355 BRD-K75844781-003-08-0 mCPP 0 95.44 Enzo AC547 1-(3-Chlorophenyl)piperazine 196.077 Clc1cccc(c1)N1CCNCC1 VHFVKMTVMIZMIK-UHFFFAOYSA-N 1355 BRD-K92758126-001-18-8 MD-920 0 96.77 Enzo NP113 "Gibberellic acid, (+)-" 346.142 C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |c:25| IXORZMNAPKEEDV-OBDJNFEBSA-N 6466 BRD-K92758126-001-20-9 MD-920 0 88.18 Sigma MFCD00079329 Gibberellic Acid 346.142 C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |c:25| IXORZMNAPKEEDV-OBDJNFEBSA-N 6466 BRD-K61128465-001-09-9 mdivi-1 0 83.5 Selleck S7162 Mdivi-1 351.984 COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2ccccc2c1=O NZJKEVWTYMOYOR-UHFFFAOYSA-N 3825829 BRD-K61128465-001-10-7 mdivi-1 0 97.44 Selleck S7162 Mdivi-1 351.984 COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2ccccc2c1=O NZJKEVWTYMOYOR-UHFFFAOYSA-N 3825829 BRD-A62057054-001-04-9 MDL-11939 0 96.53 Tocris 870 "MDL 11,939" 295.194 "O[C@@H](C1CCN(CCc2ccccc2)CC1)c1ccccc1 |&1:1,r|" AXNGJCOYCMDPQG-HXUWFJFHSA-N 76958673 BRD-A62057054-001-03-1 MDL-11939 0 98.53 Tocris 870 "MDL 11,939" 295.194 "O[C@@H](C1CCN(CCc2ccccc2)CC1)c1ccccc1 |&1:1,r|" AXNGJCOYCMDPQG-HXUWFJFHSA-N 76958673 BRD-K50888640-001-01-6 MDL-27531 0 84.16 Otava 2630816 "4-methyl-3-(methylsulfonyl)-5-phenyl-4H-1,2,4-triazole" 237.057 Cn1c(nnc1S(C)(=O)=O)-c1ccccc1 DPGDRICHXKQXEN-UHFFFAOYSA-N 164013 BRD-K59753853-001-02-3 MDL-29951 0 96.68 MedChemEx HY-16312 MDL-29951 300.991 OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O KNBSYZNKEAWABY-UHFFFAOYSA-N 446916 BRD-K01825683-003-03-9 MDL-72832 0 95.26 Tocris 412 MDL 72832 hydrochloride 386.221 O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2O1 |&1:18| HCVRCHQFYYZPHT-KRWDZBQOSA-N 6604720 BRD-K01825683-003-01-9 MDL-72832 0 96.3 Tocris 412 MDL 72832 hydrochloride 422.197 O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2O1 |&1:18| HCVRCHQFYYZPHT-KRWDZBQOSA-N 6604720 BRD-K01826803-003-03-9 MDL-73005EF 0 96.44 Tocris 411 MDL 73005EF hydrochloride 358.189 O=C1CC2(CCCC2)CC(=O)N1CCNC[C@H]1COc2ccccc2O1 |&1:16| BVMYCHKQPGEOSI-HNNXBMFYSA-N 6604719 BRD-K01826803-003-02-9 MDL-73005EF 0 96.76 Tocris 411 MDL 73005EF hydrochloride 394.166 O=C1CC2(CCCC2)CC(=O)N1CCNC[C@H]1COc2ccccc2O1 |&1:16| BVMYCHKQPGEOSI-HNNXBMFYSA-N 6604719 BRD-K70840370-001-01-9 MDMS 0 0 Enamine Z2327531735 [(methylsulfonyl)oxy]methyl methanesulfonate 203.976 CS(=O)(=O)OCOS(C)(=O)=O IQLZWWDXNXZGPK-UHFFFAOYSA-N 9083 BRD-K24283677-001-02-9 ME-0328 0 96.98 MedChemEx HY-100225 ME0328 321.148 C[C@H](NC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 QIHBWVVVRYYYRO-ZDUSSCGKSA-N 135566764 BRD-K24283677-001-03-9 ME-0328 0 97.75 Tocris 5054 ME 0328 321.148 C[C@H](NC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 QIHBWVVVRYYYRO-ZDUSSCGKSA-N 135566764 BRD-K24283677-001-01-9 ME-0328 0 97.84 Tocris 5054 ME 0328 321.148 C[C@H](NC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 QIHBWVVVRYYYRO-ZDUSSCGKSA-N 135566764 BRD-A63444178-001-01-5 ME0328 0 99.08 Selleck S7438 ME0328 321.148 "C[C@@H](NC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 |&1:1,r|" QIHBWVVVRYYYRO-CYBMUJFWSA-N 136229577 BRD-K77987382-001-16-9 mebendazole 0 97.04 MedChemEx HY-17595 Mebendazole 295.096 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 OPXLLQIJSORQAM-UHFFFAOYSA-N 4030 BRD-K77987382-001-13-2 mebendazole 0 96.72 MicroSource 1501110 MEBENDAZOLE 295.096 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 OPXLLQIJSORQAM-UHFFFAOYSA-N 4030 BRD-A09467419-003-23-9 mebeverine 0 95.61 MedChemEx HY-A0078 Mebeverine (hydrochloride) 429.252 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 |&1:20| VYVKHNNGDFVQGA-IBGZPJMESA-N 6604311 BRD-A09467419-003-22-4 mebeverine 0 95.24 MicroSource 1501117 MEBEVERINE HYDROCHLORIDE 429.252 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 |&1:20| VYVKHNNGDFVQGA-IBGZPJMESA-N 6604311 BRD-K29713308-001-07-9 mebhydrolin 0 98.78 MedChemEx HY-B1303A Mebhydrolin 276.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1 FQQIIPAOSKSOJM-UHFFFAOYSA-N 22530 BRD-K29713308-001-01-7 mebhydrolin 0 90.08 MicroSource 1501116 MEBHYDROLIN 276.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1 FQQIIPAOSKSOJM-UHFFFAOYSA-N 22530 BRD-K29713308-077-04-1 mebhydrolin 0 93.45 Prestwick Prestw-455 "Mebhydroline 1,5-naphtalenedisulfonate" 276.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1 FQQIIPAOSKSOJM-UHFFFAOYSA-N 22530 BRD-M45580279-077-05-4 BRD-K76606751-001-02-9 mebicar 0 100 Pharmeks PHAR005658 "1,3,4,6-tetramethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione" 198.112 CN1C2C(N(C)C1=O)N(C)C(=O)N2C XIUUSFJTJXFNGH-UHFFFAOYSA-N 122282 BRD-K76606751-001-01-7 mebicar 0 94.75 ChemDiv 8645-0066 198.112 CN1C2C(N(C)C1=O)N(C)C(=O)N2C XIUUSFJTJXFNGH-UHFFFAOYSA-N 122282 BRD-K96691275-001-01-2 mebrofenin 0 69.8 Sigma MFCD00216974 "2,2'-(2-(3-bromo-2,4,6-trimethylphenylamino)-2-oxoethylazanediyl)diacetic acid" 386.048 Cc1cc(C)c(NC(=O)CN(CC(O)=O)CC(O)=O)c(C)c1Br MHPZZZZLAQGTHT-UHFFFAOYSA-N 54158 BRD-A20119038-003-07-8 mecamylamine 0 100 MicroSource 1500374 MECAMYLAMINE HYDROCHLORIDE 167.167 CNC1(C)C2CCC(C2)C1(C)C IMYZQPCYWPFTAG-UHFFFAOYSA-N 46912050 BRD-K28405228-001-06-7 mecarbinate 0 97.97 Selleck S2074 Mecarbinate 233.105 CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 YTBNTDMBGXAOCG-UHFFFAOYSA-N 616236 BRD-K25075681-001-02-0 meclinertant 0 98.44 Sigma S____SML0278 "2-({[1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-2-adamantanecarboxylic acid" 586.198 COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O DYLJVOXRWLXDIG-UHFFFAOYSA-N 119192 BRD-K01826560-300-20-9 meclizine 0 96.5 Tocris 4245 Meclizine dihydrochloride 390.186 Cc1cccc(CN2CCN(CC2)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 |&1:13| OCJYIGYOJCODJL-VWLOTQADSA-N 6604289 BRD-A07600638-060-05-2 meclocycline-sulfosalicylate 0 78.67 MicroSource 1501118 MECLOCYCLINE SULFOSALICYLATE 476.099 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O |a:3,4,5,7,23,&1:20,&2:27,t:22,29|" MEFKOOXNVFALTA-IWVLMIASSA-N BRD-A07600638-060-06-0 meclocycline-sulfosalicylate 0 82.79 DuPont A001593196 "(4S,4aR,5S,5aS,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide 2-hydroxy-5-sulfobenzoate" 476.099 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O |a:3,4,5,7,23,&1:20,&2:27,t:22,29|" MEFKOOXNVFALTA-IWVLMIASSA-N BRD-A07600638-060-04-5 meclocycline-sulfosalicylate 0 74.73 Selleck S4331 Meclocycline Sulfosalicylate 476.099 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O |a:3,4,5,7,23,&1:20,&2:27,t:22,29|" MEFKOOXNVFALTA-IWVLMIASSA-N BRD-K50398167-236-23-5 meclofenamic-acid 0 99.02 Sigma M4531-1G Meclofenamic acid sodium salt 295.017 Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl SBDNJUWAMKYJOX-UHFFFAOYSA-N 4037 BRD-K50398167-236-22-7 meclofenamic-acid 0 98.55 MicroSource 1500377 MECLOFENAMATE SODIUM 295.017 Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl SBDNJUWAMKYJOX-UHFFFAOYSA-N 4037 BRD-K10314788-003-13-9 meclofenoxate 0 88.5 MedChemEx HY-17555 Meclofenoxate (hydrochloride) 257.082 CN(C)CCOC(=O)COc1ccc(Cl)cc1 XZTYGFHCIAKPGJ-UHFFFAOYSA-N 4039 BRD-K10314788-003-12-7 meclofenoxate 0 87.92 MicroSource 1503226 MECLOFENOXATE HYDROCHLORIDE 257.082 CN(C)CCOC(=O)COc1ccc(Cl)cc1 XZTYGFHCIAKPGJ-UHFFFAOYSA-N 4039 BRD-K81993098-003-15-0 mecysteine 0 100 CombiBlocks QA-2631 L-Cysteine methyl ester hydrochloride 135.035 COC(=O)[C@@H](N)CS MCYHPZGUONZRGO-VKHMYHEASA-N 29145 BRD-A66563878-003-10-9 medetomidine 0 92.92 Tocris 5160 Medetomidine hydrochloride 200.131 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C |r| CUHVIMMYOGQXCV-LLVKDONJSA-N 60612 BRD-A66563878-003-06-9 medetomidine 0 97.68 Selleck S3060 Medetomidine HCl 200.131 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C |r| CUHVIMMYOGQXCV-LLVKDONJSA-N 60612 BRD-A66563878-003-04-9 medetomidine 0 90.66 Tocris 5160 Medetomidine hydrochloride 200.131 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C |r| CUHVIMMYOGQXCV-LLVKDONJSA-N 60612 BRD-A66563878-003-05-9 medetomidine 0 98.61 Tocris 5160 Medetomidine hydrochloride 200.131 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C |r| CUHVIMMYOGQXCV-LLVKDONJSA-N 60612 BRD-K92908289-001-01-8 medica-16 0 98.1 Cayman 90290 "3,3,14,14-tetramethylhexadecanedioic acid" 342.277 CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O HYSMCRNFENOHJH-UHFFFAOYSA-N 121871 BRD-K92908289-001-02-9 medica-16 0 Tocris 4615 MEDICA 16 342.277 CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O HYSMCRNFENOHJH-UHFFFAOYSA-N 121871 BRD-K40715924-001-02-9 medorinone 0 93.66 Key 3N-012 "5-methyl[1,6]naphthyridin-2-ol" 160.064 Cc1nccc2[nH]c(=O)ccc12 OCCZJXAHSUCJSA-UHFFFAOYSA-N 5362132 BRD-K40715924-001-01-1 medorinone 0 97.74 Key 3N-012 160.064 Cc1nccc2[nH]c(=O)ccc12 OCCZJXAHSUCJSA-UHFFFAOYSA-N 5362132 BRD-K94072573-001-09-9 medronic-acid 0 98.4 Sigma MFCD00002139 methylenediphosphonic acid 175.964 OP(O)(=O)CP(O)(O)=O MBKDYNNUVRNNRF-UHFFFAOYSA-N 16124 BRD-K99615199-001-19-9 medroxyprogesterone 0 87.26 MedChemEx HY-B0648 Medroxyprogesterone 344.235 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:25| FRQMUZJSZHZSGN-HBNHAYAOSA-N 10631 BRD-K99615199-001-18-5 medroxyprogesterone 0 95.16 MedChemEx HY-B0648 Medroxyprogesterone 344.235 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:25| FRQMUZJSZHZSGN-HBNHAYAOSA-N 10631 BRD-K82216340-001-26-9 medroxyprogesterone-acetate 0 88.18 MedChemEx HY-B0469 Medroxyprogesterone (acetate) 386.246 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28| PSGAAPLEWMOORI-PEINSRQWSA-N 6279 BRD-K56515112-001-23-9 medrysone 0 90.65 MedChemEx HY-B1076 Medrysone 344.235 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:25| GZENKSODFLBBHQ-ILSZZQPISA-N 247839 BRD-K56515112-001-21-6 medrysone 0 95.45 MicroSource 1500380 MEDRYSONE 344.235 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:25| GZENKSODFLBBHQ-ILSZZQPISA-N 247839 BRD-A20126139-001-04-2 BRD-K56515112-001-22-4 medrysone 0 84.56 Selleck S4332 Medrysone 344.235 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:25| GZENKSODFLBBHQ-ILSZZQPISA-N 247839 BRD-K92778217-001-35-9 mefenamic-acid 0 99.15 MedChemEx HY-B0574 Mefenamic acid 241.11 Cc1cccc(Nc2ccccc2C(O)=O)c1C HYYBABOKPJLUIN-UHFFFAOYSA-N 4044 BRD-K92778217-001-32-7 mefenamic-acid 0 99.01 MicroSource 1501103 MEFENAMIC ACID 241.11 Cc1cccc(Nc2ccccc2C(O)=O)c1C HYYBABOKPJLUIN-UHFFFAOYSA-N 4044 BRD-K92778217-001-31-9 mefenamic-acid 0 98.05 Selleck S4078 Mefenamic Acid 241.11 Cc1cccc(Nc2ccccc2C(O)=O)c1C HYYBABOKPJLUIN-UHFFFAOYSA-N 4044 BRD-K20655524-003-13-9 mefexamide 0 92.03 Vitas-M STK370566 N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide 280.179 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 HUNIPYLVUPMFCZ-UHFFFAOYSA-N 4045 BRD-K20655524-003-12-0 mefexamide 0 99.12 MicroSource 1501108 MEFEXAMIDE HYDROCHLORIDE 280.179 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 HUNIPYLVUPMFCZ-UHFFFAOYSA-N 4045 BRD-K40645748-003-17-9 mefloquine 0 97.93 MedChemEx HY-17437A Mefloquine (hydrochloride) 378.117 O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F XEEQGYMUWCZPDN-DOMZBBRYSA-N 40692 BRD-K00004691-001-01-9 megestrol 0 100 CombiBlocks QN-9272 Megestrol 342.219 "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9,12|" VXIMPSPISRVBPZ-NWUMPJBXSA-N 19090 BRD-K19507340-001-28-9 megestrol-acetate 0 80.33 Tocris 6285 Megestrol Acetate 384.23 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" RQZAXGRLVPAYTJ-GQFGMJRRSA-N 11683 BRD-K19507340-001-26-2 megestrol-acetate 0 88.79 TCI M1949 Megesterol acetate 384.23 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" RQZAXGRLVPAYTJ-GQFGMJRRSA-N 11683 BRD-K19507340-001-22-1 megestrol-acetate 0 98.58 Selleck S1304 Megestrol Acetate 384.23 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" RQZAXGRLVPAYTJ-GQFGMJRRSA-N 11683 BRD-K19507340-001-27-9 megestrol-acetate 0 91.13 MedChemEx HY-13676 Megestrol Acetate 384.23 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" RQZAXGRLVPAYTJ-GQFGMJRRSA-N 11683 BRD-K19507340-001-25-4 megestrol-acetate 0 89.31 Selleck S1304 Megestrol Acetate 384.23 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|" RQZAXGRLVPAYTJ-GQFGMJRRSA-N 11683 BRD-K29344105-001-01-6 BRD-K51324732-001-01-0 meglitinide 0 99.32 Enamine Z224216672 333.077 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)C(O)=O SWLAMJPTOQZTAE-UHFFFAOYSA-N 41214 BRD-K28595280-001-04-5 meglumine 0 100 MicroSource 1300029 MEGLUMINE 195.111 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MBBZMMPHUWSWHV-BDVNFPICSA-N 8567 BRD-K28595280-001-03-7 meglumine 0 89.46 Selleck S1974 Meglumine 195.111 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MBBZMMPHUWSWHV-BDVNFPICSA-N 8567 BRD-K28595280-001-05-2 meglumine 0 98.99 Selleck S1974 Meglumine 195.111 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MBBZMMPHUWSWHV-BDVNFPICSA-N 8567 BRD-K00495673-001-05-2 meglutol 1 0 MicroSource 1506183 MEGLUTOL 162.053 CC(O)(CC(O)=O)CC(O)=O NPOAOTPXWNWTSH-UHFFFAOYSA-N 1662 BRD-K14529030-001-01-9 meisoindigo 0 97.04 MedChemEx HY-13680 Meisoindigo 276.09 CN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12 QNOCRUSVMMAKSC-CCEZHUSRSA-N BRD-K14529030-001-03-9 meisoindigo 0 94.2 MedChemEx HY-13680 Meisoindigo 276.09 CN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12 QNOCRUSVMMAKSC-CCEZHUSRSA-N BRD-K12244279-001-05-8 MEK1-2-inhibitor 0 95.74 Tocris 1969 SL 327 335.07 Nc1ccc(SC(=N)C(C#N)c2ccccc2C(F)(F)F)cc1 XQRVCODIGHFXKQ-UHFFFAOYSA-N 54483521 BRD-K12244279-001-04-1 MEK1-2-inhibitor 0 90.76 Selleck S1066 SL-327 335.07 Nc1ccc(SC(=N)C(C#N)c2ccccc2C(F)(F)F)cc1 XQRVCODIGHFXKQ-UHFFFAOYSA-N 54483521 BRD-K75989555-001-02-9 melanotan-ii 0 95.58 MedChemEx HY-P0267 Melanotan (MT)-II 1023.54 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O JDKLPDJLXHXHNV-VEUPWBLKSA-N 134812787 BRD-K97530723-001-24-1 melatonin 0 95.68 Tocris 3550 Melatonin 232.121 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 DRLFMBDRBRZALE-UHFFFAOYSA-N 896 BRD-K97530723-001-20-9 melatonin 0 94.12 Tocris 3550 Melatonin 232.121 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 DRLFMBDRBRZALE-UHFFFAOYSA-N 896 BRD-K97530723-001-19-1 melatonin 0 93.98 Selleck S1204 Melatonin 232.121 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 DRLFMBDRBRZALE-UHFFFAOYSA-N 896 BRD-K97530723-001-25-9 melatonin 0 95.93 Tocris 3550 Melatonin 232.121 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 DRLFMBDRBRZALE-UHFFFAOYSA-N 896 BRD-K79392608-335-01-8 meldonium 0 60.9 LifeChem F2173-0055 "3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate dihydrate" 147.113 C[N+](C)(C)NCCC(O)=O PVBQYTCFVWZSJK-UHFFFAOYSA-O 123869 BRD-A42746051-001-02-9 melengestrol-acetate 0 86.88 MicroSource 1505727 MELENGESTROL ACETATE 396.23 "CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C |a:4,22,27,&1:11,&2:12,&3:24,t:13,16|" UDKABVSQKJNZBH-AKZSSJSASA-N BRD-K18749874-003-09-9 melevodopa 0 90.21 Vitas-M STK874011 Levodopa methyl ester hydrochloride 211.084 COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 XBBDACCLCFWBSI-ZETCQYMHSA-N 23497 BRD-K18749874-003-08-9 melevodopa 0 88.63 Sigma MFCD00038958 "methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride" 211.084 COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 XBBDACCLCFWBSI-ZETCQYMHSA-N 23497 BRD-K01826742-323-07-9 meloxicam 0 98.16 Sigma MFCD11046047 "sodium 2-methyl-3-{[(5-methyl-1,3-thiazol-2-yl)amino]carbonyl}-2H-1,2-benzothiazin-4-olate 1,1-dioxide hydrate" 392.035 CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| ZRVUJXDFFKFLMG-UHFFFAOYSA-N 54677470 BRD-K92984783-003-06-5 melperone 0 84.47 Tocris 2495 Melperone hydrochloride 263.169 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 DKMFBWQBDIGMHM-UHFFFAOYSA-N 15387 BRD-K92984783-003-05-7 melperone 0 96.46 Tocris 2495 Melperone hydrochloride 263.169 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 DKMFBWQBDIGMHM-UHFFFAOYSA-N 15387 BRD-K92984783-003-07-9 melperone 0 89.15 Tocris 2495 Melperone hydrochloride 263.169 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 DKMFBWQBDIGMHM-UHFFFAOYSA-N 15387 BRD-K87827419-001-16-8 melphalan 0 93.38 MicroSource 1500382 MELPHALAN 304.075 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O SGDBTWWWUNNDEQ-LBPRGKRZSA-N 6918992 BRD-K87827419-001-14-3 melphalan 0 61.29 MicroSource 1500382 MELPHALAN 304.075 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O SGDBTWWWUNNDEQ-LBPRGKRZSA-N 6918992 BRD-K36394566-300-01-0 melphalan-n-oxide 0 67.76 Adooq A14319 "(S)-4-(2-amino-2-carboxyethyl)-N,N-bis(2-chloroethyl)aniline oxide dihydrochloride" 320.069 N[C@@H](Cc1ccc(cc1)[N+]([O-])(CCCl)CCCl)C(O)=O GSKQMLGAUOTSKT-LBPRGKRZSA-N 11234795 BRD-A07164067-001-01-2 meluadrine 0 98.2 MedChemEx HY-50291 HOKU-81 243.103 "CC(C)(C)NC[C@@H](O)c1ccc(O)cc1Cl |&1:6,r|" LIXBJWRFCNRAPA-LLVKDONJSA-N 92261245 BRD-K91938660-003-10-9 memantine 0 100 Tocris 773 Memantine hydrochloride 179.167 C[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](N)(C3)C2 BUGYDGFZZOZRHP-CDECOKDKSA-N BRD-K78126613-001-30-9 menadione 0 70.29 MedChemEx HY-B0332 Menadione 172.052 CC1=CC(=O)c2ccccc2C1=O |t:1| MJVAVZPDRWSRRC-UHFFFAOYSA-N 4055 BRD-K78126613-001-28-5 menadione 0 98.17 MicroSource 1502254 MENADIONE 172.052 CC1=CC(=O)c2ccccc2C1=O |t:1| MJVAVZPDRWSRRC-UHFFFAOYSA-N 4055 BRD-K78126613-001-27-7 menadione 0 76.1 Selleck S1949 Menadione 172.052 CC1=CC(=O)c2ccccc2C1=O |t:1| MJVAVZPDRWSRRC-UHFFFAOYSA-N 4055 BRD-K78126613-001-29-3 menadione 0 88.05 Selleck S1949 Menadione 172.052 CC1=CC(=O)c2ccccc2C1=O |t:1| MJVAVZPDRWSRRC-UHFFFAOYSA-N 4055 BRD-K01826025-236-01-9 menadione-bisulfite 0 98.12 Sigma M5750 "sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenesulfonate" 277.015 C[C@]1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O |&1:1| WIXFIQKTHUVFDI-LLVKDONJSA-N 1711949 BRD-K75864342-001-14-2 menatetrenone 0 48.49 Sigma MFCD00079646 "2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]naphthoquinone" 444.303 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O |c:20| DKHGMERMDICWDU-GHDNBGIDSA-N 5282367 BRD-K53852914-001-02-9 menbutone 0 95.74 MedChemEx HY-B1136 Menbutone 258.089 COc1ccc(C(=O)CCC(O)=O)c2ccccc12 FHGJSJFIQNQBCK-UHFFFAOYSA-N 71818 BRD-K53852914-001-01-8 menbutone 0 93.68 MicroSource 1506198 MENBUTONE 258.089 COc1ccc(C(=O)CCC(O)=O)c2ccccc12 FHGJSJFIQNQBCK-UHFFFAOYSA-N 71818 BRD-A45889380-300-06-3 mepacrine 0 89.18 Selleck S4255 Quinacrine 2HCl 399.208 CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |&1:8| GPKJTRJOBQGKQK-MRXNPFEDSA-N 446536 BRD-A45889380-300-07-1 mepacrine 0 95.48 MicroSource 1500522 QUINACRINE HYDROCHLORIDE 399.208 CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |&1:8| GPKJTRJOBQGKQK-MRXNPFEDSA-N 446536 BRD-A45889380-300-08-9 mepacrine 0 91.49 Selleck S4255 Quinacrine 2HCl 399.208 CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |&1:8| GPKJTRJOBQGKQK-MRXNPFEDSA-N 446536 BRD-A11662333-001-03-3 meparfylon 1 0 MicroSource 1506158 MEPARFYLON 98.073 CCC(C)(O)C#C |&1:2| QXLPXWSKPNOQLE-UHFFFAOYSA-N 6494 BRD-K01825575-001-03-9 mepazine 0 90.48 ChemDiv S008-0093 310.15 "CN1CCC[C@@H](CN2c3ccccc3Sc3ccccc23)C1 |&1:5,r|" CBHCDHNUZWWAPP-OAHLLOKOSA-N 7047378 BRD-A62421304-004-19-9 mepenzolate 0 99.16 MedChemEx HY-17585 Mepenzolate (Bromide) 340.191 C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:6| GKNPSSNBBWDAGH-IBGZPJMESA-N 13981865 BRD-A62421304-004-18-9 mepenzolate 0 99.17 MicroSource 1500383 MEPENZOLATE BROMIDE 340.191 C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:6| GKNPSSNBBWDAGH-IBGZPJMESA-N 13981865 BRD-A62421304-004-17-1 mepenzolate 0 96.66 Selleck S4375 Mepenzolate Bromide 340.191 C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:6| GKNPSSNBBWDAGH-IBGZPJMESA-N 13981865 BRD-A55469827-001-07-4 mephenesin 0 99.05 MicroSource 1501140 MEPHENESIN 182.094 "Cc1ccccc1OC[C@@H](O)CO |&1:9,r|" JWDYCNIAQWPBHD-VIFPVBQESA-N 6931199 BRD-A55469827-001-08-9 mephenesin 0 95.39 MedChemEx HY-B1283 Mephenesin 182.094 "Cc1ccccc1OC[C@@H](O)CO |&1:9,r|" JWDYCNIAQWPBHD-VIFPVBQESA-N 6931199 BRD-K18194590-065-08-0 mephentermine 0 93.01 MicroSource 1503250 MEPHENTERMINE SULFATE 163.136 CNC(C)(C)Cc1ccccc1 RXQCGGRTAILOIN-UHFFFAOYSA-N 3677 BRD-K18194590-003-09-9 mephentermine 0 89.53 Toronto M224500 mephentermine hydrochloride 163.136 CNC(C)(C)Cc1ccccc1 RXQCGGRTAILOIN-UHFFFAOYSA-N 3677 BRD-A83937277-001-10-5 mephenytoin 0 98.67 MicroSource 1503709 MEPHENYTOIN 218.106 "CC[C@]1(NC(=O)N(C)C1=O)c1ccccc1 |&1:2,r|" GMHKMTDVRCWUDX-LBPRGKRZSA-N 107921 BRD-A83937277-001-12-9 mephenytoin 0 86.63 Tocris 3276 Mephenytoin 218.106 "CC[C@]1(NC(=O)N(C)C1=O)c1ccccc1 |&1:2,r|" GMHKMTDVRCWUDX-LBPRGKRZSA-N 107921 BRD-K78299798-001-03-0 mepiroxol 0 96.09 MicroSource 1504616 MEPIROXOL 125.048 OCc1ccc[n+]([O-])c1 LQYJAVWWKTWWKN-UHFFFAOYSA-N 71668 BRD-K78299798-001-02-2 mepiroxol 0 98.37 Selleck S4333 Mepiroxol 125.048 OCc1ccc[n+]([O-])c1 LQYJAVWWKTWWKN-UHFFFAOYSA-N 71668 BRD-K78299798-001-04-8 mepiroxol 0 64.1 Selleck S4333 Mepiroxol 125.048 OCc1ccc[n+]([O-])c1 LQYJAVWWKTWWKN-UHFFFAOYSA-N 71668 BRD-A03216249-003-24-3 mepivacaine 0 97.82 MicroSource 1504148 MEPIVACAINE HYDROCHLORIDE 246.173 CN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C |&1:6| INWLQCZOYSRPNW-CYBMUJFWSA-N 6918904 BRD-A03216249-003-23-5 mepivacaine 0 97.45 Selleck S3155 Mepivacaine HCl 246.173 CN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C |&1:6| INWLQCZOYSRPNW-CYBMUJFWSA-N 6918904 BRD-A03216249-003-25-9 mepivacaine 0 93.69 MedChemEx HY-B0517A Mepivacaine (hydrochloride) 246.173 CN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C |&1:6| INWLQCZOYSRPNW-CYBMUJFWSA-N 6918904 BRD-K18207669-001-03-9 meprednisone 0 96.1 MedChemEx HY-B0243 Meprednisone 372.194 "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" PIDANAQULIKBQS-RNUIGHNZSA-N 5284587 BRD-K18207669-001-02-4 meprednisone 0 0 Selleck S1689 Betapar (Meprednisone) 372.194 "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|" PIDANAQULIKBQS-RNUIGHNZSA-N 5284587 BRD-K65417056-003-10-1 meprylcaine 0 83.5 MicroSource 1505553 MEPRYLCAINE HYDROCHLORIDE 235.157 CCCNC(C)(C)COC(=O)c1ccccc1 VXJABHHJLXLNMP-UHFFFAOYSA-N 4065 BRD-K65417056-003-11-9 meprylcaine 0 87.77 Toronto M224980 meprylcaine hydrochloride 235.157 CCCNC(C)(C)COC(=O)c1ccccc1 VXJABHHJLXLNMP-UHFFFAOYSA-N 4065 BRD-A02710418-003-13-4 meptazinol 0 78.49 Tocris 3636 Meptazinol hydrochloride 233.178 CC[C@]1(CCCCN(C)C1)c1cccc(O)c1 |&1:2| JLICHNCFTLFZJN-OAHLLOKOSA-N 25271754 BRD-A02710418-003-12-6 meptazinol 0 94.08 Selleck S3204 Meptazinol HCl 233.178 CC[C@]1(CCCCN(C)C1)c1cccc(O)c1 |&1:2| JLICHNCFTLFZJN-OAHLLOKOSA-N 25271754 BRD-A02710418-003-11-8 meptazinol 0 85.51 Selleck S3204 Meptazinol HCl 233.178 CC[C@]1(CCCCN(C)C1)c1cccc(O)c1 |&1:2| JLICHNCFTLFZJN-OAHLLOKOSA-N 25271754 BRD-K97564742-051-02-8 mepyramine 0 94.32 Selleck S4382 Pyrilamine Maleate 285.184 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 YECBIJXISLIIDS-UHFFFAOYSA-N 4992 BRD-K97564742-050-34-9 mepyramine 0 93.51 Tocris 660 Mepyramine maleate 285.184 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 YECBIJXISLIIDS-UHFFFAOYSA-N 4992 BRD-K97564742-050-32-7 mepyramine 0 99.13 MicroSource 1500519 PYRILAMINE MALEATE 285.184 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 YECBIJXISLIIDS-UHFFFAOYSA-N 4992 BRD-K97564742-050-31-9 mepyramine 0 96.39 Tocris 660 Mepyramine maleate 285.184 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 YECBIJXISLIIDS-UHFFFAOYSA-N 4992 BRD-K45216060-001-10-0 mequinol 0 94.54 MicroSource 212037 MEQUINOL 124.052 COc1ccc(O)cc1 NWVVVBRKAWDGAB-UHFFFAOYSA-N 9015 BRD-K45216060-001-09-2 mequinol 0 0 Selleck S4077 Mequinol 124.052 COc1ccc(O)cc1 NWVVVBRKAWDGAB-UHFFFAOYSA-N 9015 BRD-K45216060-001-11-8 mequinol 0 99.23 Selleck S4077 Mequinol 124.052 COc1ccc(O)cc1 NWVVVBRKAWDGAB-UHFFFAOYSA-N 9015 BRD-K45152786-001-09-9 merbarone 0 76.39 AMS A001191168 "4,6-dioxo-N-phenyl-2-thioxohexahydro-5-pyrimidinecarboxamide" 263.036 Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccccc1 GFYRZTLCYQQVHZ-UHFFFAOYSA-N 3000671 BRD-K45152786-001-08-4 merbarone 0 100 EMDBio 445800-25MG Merbarone 263.036 Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccccc1 GFYRZTLCYQQVHZ-UHFFFAOYSA-N 3000671 BRD-K21771665-304-04-2 merbromin 1 0 MicroSource 1500637 MERBROMIN 705.855 O[Hg]c1c(O)c(Br)cc2c(-c3ccccc3C(O)=O)c3cc(Br)c(=O)cc3oc12 OHCFGBLQZMYRTR-UHFFFAOYSA-M BRD-K91601245-001-12-0 mercaptopurine 0 100 Selleck S1305 Mercaptopurine (6-MP) 152.016 S=c1nc[nH]c2nc[nH]c12 GLVAUDGFNGKCSF-UHFFFAOYSA-N 667490 BRD-K91601245-001-16-1 mercaptopurine 0 100 Selleck S1305 Mercaptopurine (6-MP) 152.016 S=c1nc[nH]c2nc[nH]c12 GLVAUDGFNGKCSF-UHFFFAOYSA-N 667490 BRD-K91601245-001-13-8 mercaptopurine 0 100 MicroSource 1500387 MERCAPTOPURINE 152.016 S=c1nc[nH]c2nc[nH]c12 GLVAUDGFNGKCSF-UHFFFAOYSA-N 667490 BRD-A43435802-001-02-0 mercaptosuccinic-acid 0 100 Enamine Z104478826 149.999 "OC(=O)C[C@@H](S)C(O)=O |&1:4,r|" NJRXVEJTAYWCQJ-UWTATZPHSA-N 638130 BRD-A43435802-001-01-2 mercaptosuccinic-acid 0 0 Enamine Z104478826 149.999 "OC(=O)C[C@@H](S)C(O)=O |&1:4,r|" NJRXVEJTAYWCQJ-UWTATZPHSA-N 638130 BRD-K04466929-001-12-9 Merck60 0 Broad Institute BRD-K04466929 BRD6929 351.104 CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 ABZSPJVXTTUFAA-UHFFFAOYSA-N 6918878 BRD-K69726595-001-02-9 mericitabine 0 92.61 MedChemEx HY-10240 Mericitabine 399.181 CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C MLESJYFEMSJZLZ-MAAOGQSESA-N 16122663 BRD-K69726595-001-01-2 mericitabine 0 98 MedChemEx HY-10240 R-7128 399.181 CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C MLESJYFEMSJZLZ-MAAOGQSESA-N 16122663 BRD-K09372874-001-01-0 merimepodib 0 98.21 MedChemEx HY-13986 Merimepodib 452.17 COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 JBPUGFODGPKTDW-SFHVURJKSA-N 153241 BRD-K09372874-001-02-9 merimepodib 0 97.51 MedChemEx HY-13986 Merimepodib 452.17 COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 JBPUGFODGPKTDW-SFHVURJKSA-N 153241 BRD-K01612348-001-11-4 meropenem 0 0 Key KS-5224 "(4R,5S,6S)-3-({(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" 383.151 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O |c:19| DMJNNHOOLUXYBV-PQTSNVLCSA-N 441130 BRD-K01612348-001-14-8 meropenem 0 0 MicroSource 1502310 MEROPENEM 383.151 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O |c:19| DMJNNHOOLUXYBV-PQTSNVLCSA-N 441130 BRD-A53925737-001-01-9 BRD-K01612348-001-12-2 meropenem 0 23.73 Selleck S1381 Meropenem 383.151 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O |c:19| DMJNNHOOLUXYBV-PQTSNVLCSA-N 441130 BRD-A18115130-001-03-0 BRD-K01612348-001-13-0 meropenem 0 2.99 Selleck S1381 Meropenem 383.151 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O |c:19| DMJNNHOOLUXYBV-PQTSNVLCSA-N 441130 BRD-A18115130-001-02-2 BRD-K00003293-001-01-9 mertansine 0 91.36 MedChemEx HY-19792 Mertansine 737.275 "[H][C@@]12C[C@@](O)(NC(=O)O1)[C@]([H])(OC)\C=C\C=C(C)\Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@]([H])(OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]1(C)O[C@H]1[C@@H]2C |c:16,t:14|" ANZJBCHSOXCCRQ-UTOUECMYSA-N 131847656 BRD-K28849549-001-12-6 mesalazine 0 15.6 MicroSource 1505993 MESALAMINE 153.043 Nc1ccc(O)c(c1)C(O)=O KBOPZPXVLCULAV-UHFFFAOYSA-N 4075 BRD-K28849549-001-13-4 mesalazine 0 90.1 Selleck S1681 Mesalamine (Lialda) 153.043 Nc1ccc(O)c(c1)C(O)=O KBOPZPXVLCULAV-UHFFFAOYSA-N 4075 BRD-K28849549-001-11-8 mesalazine 0 0 Selleck S1681 Mesalamine 153.043 Nc1ccc(O)c(c1)C(O)=O KBOPZPXVLCULAV-UHFFFAOYSA-N 4075 BRD-K49954789-001-02-9 mesna 0 92.74 MicroSource 1502014 MESNA 141.976 OS(=O)(=O)CCS ZNEWHQLOPFWXOF-UHFFFAOYSA-N 598 BRD-M40783228-001-15-0 BRD-K49954789-001-03-7 mesna 0 0 Selleck S1735 "Mesna (Uromitexan, Mesnex)" 141.976 OS(=O)(=O)CCS ZNEWHQLOPFWXOF-UHFFFAOYSA-N 598 BRD-M40783228-001-16-8 BRD-K49954789-001-01-1 mesna 0 0 Selleck S1735 Mesna 141.976 OS(=O)(=O)CCS ZNEWHQLOPFWXOF-UHFFFAOYSA-N 598 BRD-M40783228-001-14-3 BRD-K01827307-074-10-9 mesoridazine 0 89.42 Selleck S4334 Mesoridazine Besylate 544.152 "CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@@](C)=O |a:23,&1:6|" SLVMESMUVMCQIY-AKJBCIBTSA-N 57146948 BRD-K01827307-074-12-9 mesoridazine 0 88.83 Selleck S4334 mesoridazine besylate 544.152 "CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@@](C)=O |a:23,&1:6|" SLVMESMUVMCQIY-AKJBCIBTSA-N 57146948 BRD-K01827307-074-13-9 mesoridazine 0 68.64 Selleck S4334 MESORIDAZINE 544.152 "CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@@](C)=O |a:23,&1:6|" SLVMESMUVMCQIY-AKJBCIBTSA-N 57146948 BRD-K01827307-074-11-9 mesoridazine 0 96.87 MicroSource 1505500 MESORIDAZINE BESYLATE 544.152 "CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@@](C)=O |a:23,&1:6|" SLVMESMUVMCQIY-AKJBCIBTSA-N 57146948 BRD-K69688083-004-24-9 mestinon 0 98.59 MedChemEx HY-B0207A Pyridostigmine (bromide) 181.098 CN(C)C(=O)Oc1ccc[n+](C)c1 RVOLLAQWKVFTGE-UHFFFAOYSA-N 4991 BRD-K69688083-004-23-1 mestinon 0 100 MicroSource 1503240 PYRIDOSTIGMINE BROMIDE 181.098 CN(C)C(=O)Oc1ccc[n+](C)c1 RVOLLAQWKVFTGE-UHFFFAOYSA-N 4991 BRD-K69688083-004-22-3 mestinon 0 91.81 Selleck S1608 Pyridostigmine Bromide 181.098 CN(C)C(=O)Oc1ccc[n+](C)c1 RVOLLAQWKVFTGE-UHFFFAOYSA-N 4991 BRD-K31920458-001-24-9 mestranol 0 93.82 MedChemEx HY-B0390 Mestranol 310.193 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 IMSSROKUHAOUJS-MJCUULBUSA-N 6291 BRD-K31920458-001-22-8 mestranol 0 96.53 Selleck S2125 Mestranol 310.193 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 IMSSROKUHAOUJS-MJCUULBUSA-N 6291 BRD-K92042497-001-01-4 BRD-K31920458-001-23-6 mestranol 0 98.35 MicroSource 1500388 MESTRANOL 310.193 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 IMSSROKUHAOUJS-MJCUULBUSA-N 6291 BRD-A14798026-001-02-6 BRD-K91336023-003-01-0 mesulergine 0 94.81 Enzo AC834 Mesulergine HCl 362.178 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 JLVHTNZNKOSCNB-YSVLISHTSA-N 68848 BRD-K91336023-003-03-9 mesulergine 0 95.09 Tocris 1644 Mesulergine hydrochloride 362.178 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 JLVHTNZNKOSCNB-YSVLISHTSA-N 68848 BRD-K33442414-001-02-6 meta-cresyl-acetate 0 0 MicroSource 1506049 meta-CRESYL ACETATE 150.068 CC(=O)Oc1cccc(C)c1 OTGAHJPFNKQGAE-UHFFFAOYSA-N 67406 BRD-K16474819-001-09-6 metacetamol 0 99.02 MicroSource 211175 METACETAMOL 151.063 CC(=O)Nc1cccc(O)c1 QLNWXBAGRTUKKI-UHFFFAOYSA-N 12124 BRD-K22518984-001-01-8 metacresol 0 96.37 MicroSource 1301055 METACRESOL 108.058 Cc1cccc(O)c1 RLSSMJSEOOYNOY-UHFFFAOYSA-N 342 BRD-K22518984-001-04-9 metacresol 0 83.51 MedChemEx HY-Y0968 m-Cresol 108.058 Cc1cccc(O)c1 RLSSMJSEOOYNOY-UHFFFAOYSA-N 342 BRD-K28580965-238-03-9 metafolin 0 67.8 MedChemEx HY-17383 Levomefolate (calcium) 459.187 CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]c(N)nc(=O)c12 ZNOVTXRBGFNYRX-STQMWFEESA-N 135398561 BRD-K28580965-238-01-3 metafolin 0 0 MedChemEx HY-17383 Levomefolate (calcium) 459.187 CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]c(N)nc(=O)c12 ZNOVTXRBGFNYRX-STQMWFEESA-N 135398561 BRD-K28580965-238-02-1 metafolin 0 0 MedChemEx HY-17383 Levomefolate (calcium) 459.187 CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]c(N)nc(=O)c12 ZNOVTXRBGFNYRX-STQMWFEESA-N 135398561 BRD-K76812510-236-14-8 metamizole 0 93.08 MicroSource 1503298 DIPYRONE 311.094 CN(CS(O)(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O LVWZTYCIRDMTEY-UHFFFAOYSA-N 3111 BRD-K95701999-066-06-9 metaphit 0 36.49 SantaCruz sc-253003 Metaphit Methanesulfonate 300.166 S=C=Nc1cccc(c1)C1(CCCCC1)N1CCCCC1 FGSGBQAQSPSRJK-UHFFFAOYSA-N 114745 BRD-K95701999-001-02-3 metaphit 0 12.3 Tocris 568 Metaphit 300.166 S=C=Nc1cccc(c1)C1(CCCCC1)N1CCCCC1 FGSGBQAQSPSRJK-UHFFFAOYSA-N 114745 BRD-K01826731-065-09-9 metaproterenol 0 69.08 Selleck S4335 Metaproterenol Sulfate 309.088 CC(C)NC[C@@H](O)c1cc(O)cc(O)c1 |&1:5| LMOINURANNBYCM-LLVKDONJSA-N 25271693 BRD-M02190957-065-05-7 BRD-K01826731-065-10-9 metaproterenol 0 98.07 Selleck S4335 metaproterenol sulfate 309.088 CC(C)NC[C@@H](O)c1cc(O)cc(O)c1 |&1:5| LMOINURANNBYCM-LLVKDONJSA-N 25271693 BRD-M02190957-065-06-5 BRD-K96253961-046-04-9 metaraminol 0 47.09 MicroSource 1503251 METARAMINOL BITARTRATE 167.095 C[C@H](N)[C@H](O)c1cccc(O)c1 WXFIGDLSSYIKKV-RCOVLWMOSA-N 5906 BRD-K96253961-046-05-6 metaraminol 0 95.01 Selleck S4336 metaraminol bitartrate 167.095 C[C@H](N)[C@H](O)c1cccc(O)c1 WXFIGDLSSYIKKV-RCOVLWMOSA-N 5906 BRD-K96253961-046-03-1 metaraminol 0 86.09 Selleck S4336 Metaraminol Bitartrate 167.095 C[C@H](N)[C@H](O)c1cccc(O)c1 WXFIGDLSSYIKKV-RCOVLWMOSA-N 5906 BRD-K27182532-001-03-9 metatinib 0 97.66 MedChemEx HY-10497 BMS-794833 468.08 Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl PDYXPCKITKHFOZ-UHFFFAOYSA-N 44155856 BRD-K27182532-001-02-3 metatinib 0 98.07 Selleck S2201 BMS-794833 468.08 Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl PDYXPCKITKHFOZ-UHFFFAOYSA-N 44155856 BRD-A94709349-001-08-3 metaxalone 0 99.54 MicroSource 1504229 METAXALONE 221.105 "Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1 |&1:9,r|" IMWZZHHPURKASS-LLVKDONJSA-N 25271694 BRD-A78277353-001-01-9 metazosin 0 98.7 Sigma MFCD00891638 "6,7-dimethoxy-2-[4-(2-methoxypropanoyl)-1-piperazinyl]-4-quinazolinamine" 375.191 "CO[C@@H](C)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 |&1:2,r|" YEOTYALSMRNXLJ-NSHDSACASA-N 51057264 BRD-A38218502-001-01-2 metenkephalin 0 91.27 MPBio 2190430 [Met5]-ENKEPHALIN 573.226 "CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |&1:4,&2:8,&3:27,r|" YFGBQHOOROIVKG-BHDDXSALSA-N 73265283 BRD-K56699285-001-24-3 metergoline 0 94 Tocris 590 Metergoline 403.226 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 WZHJKEUHNJHDLS-QTGUNEKASA-N 28693 BRD-K56699285-001-25-9 metergoline 0 93.56 Tocris 590 Metergoline 403.226 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 WZHJKEUHNJHDLS-QTGUNEKASA-N 28693 BRD-K56699285-001-23-5 metergoline 0 85.3 Tocris 590 Metergoline 403.226 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 WZHJKEUHNJHDLS-QTGUNEKASA-N 28693 BRD-K79602928-003-19-9 metformin 0 93.76 MicroSource 1505814 METFORMIN HYDROCHLORIDE 129.101 CN(C)C(=N)N=C(N)N XZWYZXLIPXDOLR-UHFFFAOYSA-N 4091 BRD-K79602928-003-21-5 metformin 0 85.3 Tocris 2864 Metformin hydrochloride 129.101 CN(C)C(=N)N=C(N)N XZWYZXLIPXDOLR-UHFFFAOYSA-N 4091 BRD-K79602928-003-18-1 metformin 0 92.62 Selleck S1950 Metformin hydrochloride (Glucophage) 129.101 CN(C)C(=N)N=C(N)N XZWYZXLIPXDOLR-UHFFFAOYSA-N 4091 BRD-K79602928-003-23-9 metformin 0 58.1 Tocris 2864 Metformin hydrochloride 129.101 CN(C)C(=N)N=C(N)N XZWYZXLIPXDOLR-UHFFFAOYSA-N 4091 BRD-A18056626-003-23-9 methacholine 0 100 MedChemEx HY-A0083 Methacholine (chloride) 160.134 C[C@@H](C[N+](C)(C)C)OC(C)=O |&1:1| NZWOPGCLSHLLPA-ZETCQYMHSA-N 6603706 BRD-A18056626-003-22-3 methacholine 0 98.32 MicroSource 1500391 METHACHOLINE CHLORIDE 160.134 C[C@@H](C[N+](C)(C)C)OC(C)=O |&1:1| NZWOPGCLSHLLPA-ZETCQYMHSA-N 6603706 BRD-K00003351-003-01-9 methacycline 0 86.43 MedChemEx HY-B0449 Methacycline (hydrochloride) 442.138 "[H][C@]12[C@H](O)[C@@]3([H])[C@H](N(C)C)C(=O)[C@H](C(N)=O)C(=O)[C@@]3(O)C(=O)[C@H]1C(=O)c1c(O)cccc1C2=C |&1:22,&2:12|" QNJKSUYWBCNWFI-IKHBEOKZSA-N BRD-K53896891-001-01-2 methanesulfonyl-fluoride 1 0 Sigma MFCD00007423 methanesulfonyl fluoride 97.984 CS(F)(=O)=O KNWQLFOXPQZGPX-UHFFFAOYSA-N 11207 BRD-K09859624-004-10-4 methantheline 0 53.05 Prestwick Prestw-1066 Methantheline bromide 340.191 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12 GZHFODJQISUKAY-UHFFFAOYSA-N 4097 BRD-K09859624-004-11-9 methantheline 0 95.7 Toronto u700650 ulcine bromide 340.191 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12 GZHFODJQISUKAY-UHFFFAOYSA-N 4097 BRD-K47323024-003-25-1 methapyrilene 0 91.22 MicroSource 1503229 METHAPYRILENE HYDROCHLORIDE 261.13 CN(C)CCN(Cc1cccs1)c1ccccn1 HNJJXZKZRAWDPF-UHFFFAOYSA-N 4098 BRD-K47323024-003-24-4 methapyrilene 0 93.74 Selleck S4337 Methapyrilene HCl 261.13 CN(C)CCN(Cc1cccs1)c1ccccn1 HNJJXZKZRAWDPF-UHFFFAOYSA-N 4098 BRD-K88143662-001-01-5 metharbital 0 99.64 Enamine Z2205958937 "5,5-diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione" 198.1 CCC1(CC)C(=O)NC(=O)N(C)C1=O FWJKNZONDWOGMI-UHFFFAOYSA-N 4099 BRD-K00002562-001-02-9 methazolamide 0 90.21 MedChemEx HY-B0553 Methazolamide 236.004 CC(=O)N=c1sc(nn1C)S(N)(=O)=O FLOSMHQXBMRNHR-UHFFFAOYSA-N 4100 BRD-K30114692-001-15-9 methenamine 0 100 Selleck S3139 Methenamine 140.106 C1N2CN3CN1CN(C2)C3 VKYKSIONXSXAKP-UHFFFAOYSA-N 4101 BRD-K30114692-001-16-7 methenamine 0 95.18 MicroSource 1500394 METHENAMINE 140.106 C1N2CN3CN1CN(C2)C3 VKYKSIONXSXAKP-UHFFFAOYSA-N 4101 BRD-K02764365-001-13-6 methiazole 0 95.06 Prestwick Prestw-1080 Methiazole 265.088 COC(=O)Nc1nc2ccc(SC(C)C)cc2[nH]1 SXJIZQPZESTWLD-UHFFFAOYSA-N 6604471 BRD-K34388247-236-09-0 methicillin 0 85.33 Sigma 51454 "sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 380.104 COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O RJQXTJLFIWVMTO-TYNCELHUSA-N 6087 BRD-K34388247-236-08-2 methicillin 0 84.29 MicroSource 1500395 METHICILLIN SODIUM 380.104 COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O RJQXTJLFIWVMTO-TYNCELHUSA-N 6087 BRD-K54416256-001-18-1 methimazole 0 91.26 Selleck S1609 Methimazole 114.025 Cn1cc[nH]c1=S PMRYVIKBURPHAH-UHFFFAOYSA-N 1349907 BRD-K54416256-001-19-9 methimazole 0 100 MicroSource 1500396 METHIMAZOLE 114.025 Cn1cc[nH]c1=S PMRYVIKBURPHAH-UHFFFAOYSA-N 1349907 BRD-A39515206-001-01-9 methionine 0 47.29 Sigma M0950000 methionine 149.051 "CSCC[C@@H](N)C(O)=O |&1:4,r|" FFEARJCKVFRZRR-SCSAIBSYSA-N 84815 BRD-K00004541-001-01-9 methiopril 0 91.68 Vitas-M STL026579 Methiapril 273.103 "C[C@@H]1CCC[C@@H](N1C(=O)CCSC(C)=O)C(O)=O |&1:1,5,r|" JHFOAISYWJRTIM-PSASIEDQSA-N 667560 BRD-A31521121-001-25-6 methocarbamol 0 93.82 Selleck S1736 Methocarbamol 241.095 "COc1ccccc1OC[C@@H](O)COC(N)=O |&1:10,r|" GNXFOGHNGIVQEH-MRVPVSSYSA-N 688484 BRD-A31521121-001-28-9 methocarbamol 0 95.13 MedChemEx HY-B0262 Methocarbamol 241.095 "COc1ccccc1OC[C@@H](O)COC(N)=O |&1:10,r|" GNXFOGHNGIVQEH-MRVPVSSYSA-N 688484 BRD-A31521121-001-26-4 methocarbamol 0 99.36 MicroSource 1500397 METHOCARBAMOL 241.095 "COc1ccccc1OC[C@@H](O)COC(N)=O |&1:10,r|" GNXFOGHNGIVQEH-MRVPVSSYSA-N 688484 BRD-K34591242-001-04-3 methoprene-(s) 0 86.73 MicroSource 1504100 METHOPRENE (S) 310.251 COC(C)(C)CCC[C@H](C)C\C=C\C(\C)=C\C(=O)OC(C)C NFGXHKASABOEEW-GYMWBFJFSA-N 1711973 BRD-K34591242-001-05-9 methoprene-(s) 0 11.17 Sigma MFCD00867612 S-(+)-METHOPRENE 310.251 COC(C)(C)CCC[C@H](C)C\C=C\C(\C)=C\C(=O)OC(C)C NFGXHKASABOEEW-GYMWBFJFSA-N 1711973 BRD-K59456551-001-22-6 methotrexate 0 98.9 Selleck S1210 Abitrexate (Methotrexate) 454.171 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O FBOZXECLQNJBKD-ZDUSSCGKSA-N 126941 BRD-K59456551-001-19-2 methotrexate 0 36.97 Selleck S1210 Methotrexate 454.171 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O FBOZXECLQNJBKD-ZDUSSCGKSA-N 126941 BRD-K59456551-001-20-0 methotrexate 0 44.47 Tocris 1230 Methotrexate 454.171 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O FBOZXECLQNJBKD-ZDUSSCGKSA-N 126941 BRD-K59456551-001-27-9 methotrexate 0 95.18 Tocris 1230 Methotrexate 454.171 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O FBOZXECLQNJBKD-ZDUSSCGKSA-N 126941 BRD-A39189014-003-21-9 methoxamine 0 94.31 Selleck S4338 Methoxamine HCl 211.121 COc1ccc(OC)c(c1)C(O)C(C)N WJAJPNHVVFWKKL-UHFFFAOYSA-N 657286 BRD-A39189014-003-22-7 methoxamine 0 97.81 MicroSource 1500399 METHOXAMINE HYDROCHLORIDE 211.121 COc1ccc(OC)c(c1)C(O)C(C)N WJAJPNHVVFWKKL-UHFFFAOYSA-N 657286 BRD-A39189014-003-23-5 methoxamine 0 91.2 Selleck S4338 "2-amino-1-(2,5-dimethoxyphenyl)-1-propanol" 211.121 COc1ccc(OC)c(c1)C(O)C(C)N WJAJPNHVVFWKKL-UHFFFAOYSA-N 657286 BRD-K63430059-001-16-4 methoxsalen 0 98.69 Selleck S1952 Methoxsalen 216.042 COc1c2occc2cc2ccc(=O)oc12 QXKHYNVANLEOEG-UHFFFAOYSA-N 4114 BRD-K63430059-001-17-2 methoxsalen 0 99.46 MicroSource 1500400 METHOXSALEN 216.042 COc1c2occc2cc2ccc(=O)oc12 QXKHYNVANLEOEG-UHFFFAOYSA-N 4114 BRD-K79277568-003-04-7 methoxyamine 1 0 Otava 1270718 47.037 CON GMPKIPWJBDOURN-UHFFFAOYSA-N 4113 BRD-K06152156-001-02-6 methoxyflurane 1 0 Sigma MFCD00040144 "2,2-dichloro-1,1-difluoro-1-methoxyethane" 163.961 COC(F)(F)C(Cl)Cl RFKMCNOHBTXSMU-UHFFFAOYSA-N 4116 BRD-K06152156-001-01-8 methoxyflurane 1 0 MatrixSci 8896 163.961 COC(F)(F)C(Cl)Cl RFKMCNOHBTXSMU-UHFFFAOYSA-N 4116 BRD-A21474126-001-01-6 methoxyphenamine 0 98.67 Sigma PH011732 1-(2-methoxyphenyl)-N-methyl-2-propanamine 179.131 "CN[C@@H](C)Cc1ccccc1OC |&1:2,r|" OEHAYUOVELTAPG-VIFPVBQESA-N 6918906 BRD-K48619321-004-19-9 methscopolamine 0 97.3 MedChemEx HY-B0344 Methscopolamine (bromide) 318.171 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 LZCOQTDXKCNBEE-IKIFYQGPSA-N BRD-K48619321-004-16-8 methscopolamine 0 98.54 Selleck S1978 Methscopolamine (Pamine) 318.171 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 LZCOQTDXKCNBEE-IKIFYQGPSA-N BRD-K48619321-004-17-6 methscopolamine 0 89.57 Selleck S1978 Methscopolamine 318.171 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 LZCOQTDXKCNBEE-IKIFYQGPSA-N BRD-K05224916-004-01-1 BRD-K48619321-004-18-4 methscopolamine 0 94.22 Selleck S1978 Methylscopolamine 318.171 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 LZCOQTDXKCNBEE-IKIFYQGPSA-N BRD-A57592049-001-01-6 methsuximide 0 99.54 MicroSource 1505443 METHSUXIMIDE 203.095 "CN1C(=O)C[C@@](C)(C1=O)c1ccccc1 |&1:5,r|" AJXPJJZHWIXJCJ-GFCCVEGCSA-N 25271978 BRD-A57592049-001-02-9 methsuximide 0 93.69 AMS M0153 Methsuximide 203.095 "CN1C(=O)C[C@@](C)(C1=O)c1ccccc1 |&1:5,r|" AJXPJJZHWIXJCJ-GFCCVEGCSA-N 25271978 BRD-A95340155-001-09-7 methyclothiazide 0 97.93 Selleck S4057 Methyclothiazide 358.957 "CN1[C@@H](CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O |&1:2,r|" CESYKOGBSMNBPD-VIFPVBQESA-N 12309469 BRD-K01827294-050-06-9 methyl-5-hydroxytryptamine 0 46 Tocris 557 ?-Methyl-5-hydroxytryptamine maleate 306.122 C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |&1:1| LYPCGXKCQDYTFV-SSDOTTSWSA-N 14083218 BRD-K01827294-050-05-9 methyl-5-hydroxytryptamine 0 64.4 Tocris 557 ?-Methyl-5-hydroxytryptamine maleate 306.122 C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |&1:1| LYPCGXKCQDYTFV-SSDOTTSWSA-N 14083218 BRD-K01292611-003-17-8 methyl-aminolevulinate 1 0 Enzo AC3187 METHYL AMINOLEVULINATE HCl 145.074 COC(=O)CCC(=O)CN YUUAYBAIHCDHHD-UHFFFAOYSA-N 157922 BRD-K10132944-001-02-9 methyl-nicotinate 0 0 Sigma Y0000398 methyl nicotinate 137.048 COC(=O)c1cccnc1 YNBADRVTZLEFNH-UHFFFAOYSA-N 7151 BRD-K10132944-001-01-1 methyl-nicotinate 0 0 Vitas-M STK803258 137.048 COC(=O)c1cccnc1 YNBADRVTZLEFNH-UHFFFAOYSA-N 7151 BRD-K10103010-001-05-9 methyl-salicylate 0 0 MedChemEx HY-Y0189 Methyl Salicylate 152.047 COC(=O)c1ccccc1O OSWPMRLSEDHDFF-UHFFFAOYSA-N 4133 BRD-K10103010-001-01-1 methyl-salicylate 0 0 Enamine Z19703590 152.047 COC(=O)c1ccccc1O OSWPMRLSEDHDFF-UHFFFAOYSA-N 4133 BRD-K00004543-005-01-9 methylatropine-nitrate 0 82.69 Vitas-M STK108600 "3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane" 304.191 "C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1 |&1:3,6,8,&2:13|" PIPAJLPNWZMYQA-HZMVEIRTSA-N BRD-K00003518-004-01-9 methylbenactyzium-bromide 0 98.62 MedChemEx HY-B2070 Methylbenactyzium Bromide 342.207 CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 HDAMOICMOAXFLJ-UHFFFAOYSA-N 4134 BRD-K46531780-003-18-9 methylbenzethonium-chloride 0 64.12 MicroSource 1503253 METHYLBENZETHONIUM CHLORIDE 426.337 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C UQOOPIMXBSPVJI-UHFFFAOYSA-N 4135 BRD-K46531780-003-19-7 methylbenzethonium-chloride 0 97.14 Sigma M7379-10G Methylbenzethoniuim chloride 426.337 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C UQOOPIMXBSPVJI-UHFFFAOYSA-N 4135 BRD-K00003534-001-01-9 methylcobalamin 0 27.21 MedChemEx HY-B0586 Methylcobalamin 1344.596 "[H][C@]1(CO)O[C@]([H])(n2cnc3cc(C)c(C)cc23)[C@]([H])(O)[C@]1([H])OP(O)(=O)O[C@H](C)CNC(=O)CC[C@@]1(C)\C2=C(C)\C3=N\C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]([H])(N2[Co+]C)[C@]1([H])CC(N)=O)[C@@](C)(CC(N)=O)[C@]5([H])CCC(N)=O)\[C@@](C)(CC(N)=O)[C@]4([H])CCC(N)=O)\C(C)(C)[C@]3([H])CCC(N)=O |c:41,t:44,46,48,50,53|" JEWJRMKHSMTXPP-WDJKBINPSA-M BRD-K48578705-001-17-6 methyldopa 0 100 Selleck S1642 Methyldopa (Aldomet) 211.084 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O CJCSPKMFHVPWAR-JTQLQIEISA-N 6919173 BRD-K48578705-001-19-9 methyldopa 0 86.62 Tocris 584 L-(-)-alpha-Methyldopa 211.084 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O CJCSPKMFHVPWAR-JTQLQIEISA-N 6919173 BRD-K48578705-001-14-3 methyldopa 0 0 Selleck S1642 Methyldopa (Aldomet) 211.084 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O CJCSPKMFHVPWAR-JTQLQIEISA-N 6919173 BRD-K48578705-001-15-0 methyldopa 0 0 Tocris 584 L-(-)-?-Methyldopa 211.084 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O CJCSPKMFHVPWAR-JTQLQIEISA-N 6919173 BRD-K48578705-001-16-8 methyldopa 0 97.41 MicroSource 1500403 METHYLDOPA 211.084 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O CJCSPKMFHVPWAR-JTQLQIEISA-N 6919173 BRD-K82259334-003-02-7 methyldopate 0 0 Prestwick Prestw-1038 Methyldopate hydrochloride 239.116 CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 SVEBYYWCXTVYCR-LBPRGKRZSA-N 17277 BRD-K54770538-311-01-0 methylene-blue 0 47.14 MicroSource 1505444 METHYLENE BLUE 284.122 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C RBTBFTRPCNLSDE-UHFFFAOYSA-N 4139 BRD-K54770538-003-14-6 methylene-blue 0 37.69 MedChemEx HY-14536 Methylene Blue 284.122 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C RBTBFTRPCNLSDE-UHFFFAOYSA-N 4139 BRD-K34685430-050-13-9 methylergometrine 0 92.76 Tocris 549 Methylergometrine maleate 339.195 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| UNBRKDKAWYKMIV-QWQRMKEZSA-N 8226 BRD-K34685430-050-11-7 methylergometrine 0 86 Tocris 549 Methylergometrine maleate 339.195 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| UNBRKDKAWYKMIV-QWQRMKEZSA-N 8226 BRD-K34685430-050-12-5 methylergometrine 0 91.71 MicroSource 1500404 METHYLERGONOVINE MALEATE 339.195 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| UNBRKDKAWYKMIV-QWQRMKEZSA-N 8226 BRD-K43192255-048-02-8 methyllycaconitine 0 92.94 Tocris 1029 Methyllycaconitine citrate 682.347 CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 XLTANAWLDBYGFU-VTLKBQQISA-N 5288811 BRD-A29043702-048-02-2 BRD-K43192255-048-01-0 methyllycaconitine 0 93.67 Tocris 1029 "((3S,6S,6aR,7R,7aR,8S,9R,10S,11aS,12R,12aR,13S,14S)-1-ethyl-11a,12-dihydroxy-6,8,10,13-tetramethoxydodecahydro-2H-3,6a,12-(epie" 682.347 CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 XLTANAWLDBYGFU-VTLKBQQISA-N 5288811 BRD-A29043702-048-03-0 BRD-K43192255-048-03-6 methyllycaconitine 0 82.68 Tocris 1029 Methyllycaconitine citrate 682.347 CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 XLTANAWLDBYGFU-VTLKBQQISA-N 5288811 BRD-A29043702-048-01-4|BRD-A32164164-048-02-2 BRD-K00003599-004-01-9 methylnaltrexone 0 92.79 MedChemEx HY-75766 Methylnaltrexone (Bromide) 356.186 [H][C@]12Oc3c4c(C[C@]5([H])[C@](O)(CCC1=O)[C@]24CC[N@+]5(C)CC1CC1)ccc3O JVLBPIPGETUEET-WIXLDOGYSA-O 16089915 BRD-K78321730-001-13-9 methylparaben 0 98.44 MedChemEx HY-N0349 Methyl Paraben 152.047 COC(=O)c1ccc(O)cc1 LXCFILQKKLGQFO-UHFFFAOYSA-N 7456 BRD-K78321730-001-10-8 methylparaben 0 0 Enamine Z19674820 152.047 COC(=O)c1ccc(O)cc1 LXCFILQKKLGQFO-UHFFFAOYSA-N 7456 BRD-K35240538-001-24-7 methylprednisolone 0 84.5 Tocris 4819 Methylprednisolone 374.209 "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |c:23,t:27|" VHRSUDSXCMQTMA-PJHHCJLFSA-N 6741 BRD-K35240538-001-25-4 methylprednisolone 0 90.96 Selleck S1733 Methylprednisolone 374.209 "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |c:23,t:27|" VHRSUDSXCMQTMA-PJHHCJLFSA-N 6741 BRD-K99443616-001-01-3 BRD-K35240538-001-26-2 methylprednisolone 0 95.49 MicroSource 1500406 METHYLPREDNISOLONE 374.209 "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |c:23,t:27|" VHRSUDSXCMQTMA-PJHHCJLFSA-N 6741 BRD-A53176877-001-04-3 BRD-K24452555-001-01-7 methylprednisolone-aceponate 0 97.13 Alinda IVK/0069385 "(6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate" 472.246 "CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O |c:17,t:13|" DALKLAYLIPSCQL-YPYQNWSCSA-N 63019 BRD-K24452555-001-02-9 methylprednisolone-aceponate 0 85.29 Sigma MFCD00866150 "(6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate" 472.246 "CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O |c:17,t:13|" DALKLAYLIPSCQL-YPYQNWSCSA-N 63019 BRD-K00003673-236-01-9 methylprednisolone-sodium-succinate 0 83.97 MedChemEx HY-B1060 Methylprednisolone 21-hemisuccinate (sodium salt) 474.225 "[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C |c:35,t:31|" IMBXEJJVJRTNOW-XYMSELFBSA-N 16923 BRD-K11900042-001-14-4 methylthiouracil 0 100 MicroSource 1500408 METHYLTHIOURACIL 142.02 Cc1cc(=O)[nH]c(=S)[nH]1 HWGBHCRJGXAGEU-UHFFFAOYSA-N 667493 BRD-K11900042-001-13-6 methylthiouracil 0 97.72 Selleck S3138 Methylthiouracil 142.02 Cc1cc(=O)[nH]c(=S)[nH]1 HWGBHCRJGXAGEU-UHFFFAOYSA-N 667493 BRD-K35941380-050-27-9 methysergide 0 61.35 Tocris 1064 Methysergide maleate 353.21 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24| KPJZHOPZRAFDTN-ZRGWGRIASA-N 9681 BRD-K35941380-050-28-9 methysergide 0 94.46 Tocris 1064 Methysergide maleate 353.21 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24| KPJZHOPZRAFDTN-ZRGWGRIASA-N 9681 BRD-K58265391-001-13-9 meticrane 0 96.23 MedChemEx HY-B0908 Meticrane 275.029 Cc1cc2CCCS(=O)(=O)c2cc1S(N)(=O)=O FNQQBFNIYODEMB-UHFFFAOYSA-N 4165 BRD-K58265391-001-11-9 meticrane 0 97.41 Selleck S4339 Meticrane 275.029 Cc1cc2CCCS(=O)(=O)c2cc1S(N)(=O)=O FNQQBFNIYODEMB-UHFFFAOYSA-N 4165 BRD-K58265391-001-12-7 meticrane 0 97.99 MicroSource 1506077 METICRANE 275.029 Cc1cc2CCCS(=O)(=O)c2cc1S(N)(=O)=O FNQQBFNIYODEMB-UHFFFAOYSA-N 4165 BRD-A99388803-001-01-5 metipranolol 0 96.55 Aronis BBC/654 "4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate" 309.194 "CC(C)NC[C@@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C |&1:5,r|" BQIPXWYNLPYNHW-OAHLLOKOSA-N 57185490 BRD-K83766205-001-04-9 metirosine 0 100 Sigma MFCD00064201 alpha-Methyl-L-tyrosine 195.09 C[C@](N)(Cc1ccc(O)cc1)C(O)=O NHTGHBARYWONDQ-JTQLQIEISA-N 6918925 BRD-K83766205-001-03-8 metirosine 0 85.79 Enamine Z1255434943 195.09 C[C@](N)(Cc1ccc(O)cc1)C(O)=O NHTGHBARYWONDQ-JTQLQIEISA-N 6918925 BRD-K01826545-050-03-9 metitepine 0 96.88 Tocris 582 356.138 "CSc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |&1:14,r|" RLJFTICUTYVZDG-GOSISDBHSA-N 969502 BRD-K01826531-311-08-9 metixene 0 99.05 Sigma M1808000 Metixene hydrochloride 363.142 CN1CCC[C@@H](CC2c3ccccc3Sc3ccccc23)C1 |&1:5| MJFJKKXQDNNUJF-HNNXBMFYSA-N 6604302 BRD-K75641298-003-25-0 metoclopramide 0 98.56 MicroSource 1500410 METOCLOPRAMIDE HYDROCHLORIDE 299.14 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC TTWJBBZEZQICBI-UHFFFAOYSA-N 4168 BRD-K75641298-001-26-9 metoclopramide 0 98.84 MedChemEx HY-17382 Metoclopramide 299.14 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC TTWJBBZEZQICBI-UHFFFAOYSA-N 4168 BRD-K16484091-001-01-1 metocurine 0 96.67 Specs AE-562/43459779 652.351 COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc3ccc(C[C@H]4c5cc(Oc1c2)c(OC)cc5CC[N+]4(C)C)cc3 JFXBEKISTKFVAB-AJQTZOPKSA-N 21233 BRD-A61793559-001-15-6 metolazone 0 97.53 MicroSource 2300325 METOLAZONE 365.06 "C[C@H]1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O |&1:1,r|" AQCHWTWZEMGIFD-JTQLQIEISA-N 28125490 BRD-A61793559-001-16-4 metolazone 0 54.72 Selleck S1610 Metolazone (Zaroxolyn) 365.06 "C[C@H]1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O |&1:1,r|" AQCHWTWZEMGIFD-JTQLQIEISA-N 28125490 BRD-A61793559-001-14-9 metolazone 0 48.09 Selleck S1610 Metolazone 365.06 "C[C@H]1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O |&1:1,r|" AQCHWTWZEMGIFD-JTQLQIEISA-N 28125490 BRD-A61793559-001-17-9 metolazone 0 97.76 MedChemEx HY-B0209 Metolazone 365.06 "C[C@H]1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O |&1:1,r|" AQCHWTWZEMGIFD-JTQLQIEISA-N 28125490 BRD-K01826568-046-15-9 metoprolol 0 79.17 Tocris 3256 Metoprolol tartrate 417.2 COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |&1:10| IUBSYMUCCVWXPE-AWEZNQCLSA-N 157716 BRD-M45038741-045-02-7 BRD-K01826568-046-14-9 metoprolol 0 90.03 Selleck S1856 Metoprolol Tartrate 417.2 COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |&1:10| IUBSYMUCCVWXPE-AWEZNQCLSA-N 157716 BRD-M45038741-046-05-8 BRD-A71725768-001-01-3 metoxibutropate 0 96.65 Specs AN-652/42191159 312.173 "COc1ccccc1OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 |&1:11,r|" FVRWRGBTEHAPDI-HNNXBMFYSA-N 836891 BRD-A22101059-001-15-5 metrifonate 0 43.77 MedChemEx HY-B1220 Metrifonate 255.923 "COP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl |&1:6,r|" NFACJZMKEDPNKN-GSVOUGTGSA-N 6604183 BRD-A22101059-001-13-0 metrifonate 0 58.32 MicroSource 1505765 TRICHLORFON 255.923 "COP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl |&1:6,r|" NFACJZMKEDPNKN-GSVOUGTGSA-N 6604183 BRD-A22101059-001-14-8 metrifonate 0 0 MedChemEx HY-B1220 Metrifonate 255.923 "COP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl |&1:6,r|" NFACJZMKEDPNKN-GSVOUGTGSA-N 6604183 BRD-A45543382-001-11-9 metrizamide 0 87.3 Sigma MFCD00010577 Metrizamide 788.854 "CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I |a:19,23,26,28,&1:20|" BAQCROVBDNBEEB-KSDLJXBFSA-N 49800036 BRD-A45543382-001-10-0 metrizamide 0 91.39 Selleck S4379 Metrizamide 788.854 "CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I |a:19,23,26,28,&1:20|" BAQCROVBDNBEEB-KSDLJXBFSA-N 49800036 BRD-K99241550-001-04-3 metrizoic-acid 0 89.37 Sigma MFCD00867964 "3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid" 627.785 CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I GGGDNPWHMNJRFN-UHFFFAOYSA-N 2528 BRD-K99241550-001-03-5 metrizoic-acid 0 81.64 TCI M1363 627.785 CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I GGGDNPWHMNJRFN-UHFFFAOYSA-N 2528 BRD-K52020312-001-25-0 metronidazole 0 90.77 Selleck S1907 Metronidazole 171.064 Cc1ncc(n1CCO)[N+]([O-])=O VAOCPAMSLUNLGC-UHFFFAOYSA-N 4173 BRD-K52020312-001-26-8 metronidazole 0 99.43 MicroSource 1500412 METRONIDAZOLE 171.064 Cc1ncc(n1CCO)[N+]([O-])=O VAOCPAMSLUNLGC-UHFFFAOYSA-N 4173 BRD-K46862739-001-15-0 metyrapone 0 88.32 Tocris 3292 Metyrapone 226.111 CC(C)(C(=O)c1cccnc1)c1cccnc1 FJLBFSROUSIWMA-UHFFFAOYSA-N 4174 BRD-K46862739-001-13-5 metyrapone 0 48.46 MicroSource 1506014 METYRAPONE 226.111 CC(C)(C(=O)c1cccnc1)c1cccnc1 FJLBFSROUSIWMA-UHFFFAOYSA-N 4174 BRD-K46862739-001-14-3 metyrapone 0 92.16 MedChemEx HY-B1232 Metyrapone 226.111 CC(C)(C(=O)c1cccnc1)c1cccnc1 FJLBFSROUSIWMA-UHFFFAOYSA-N 4174 BRD-K94441233-001-15-5 mevastatin 0 90.19 Tocris 1526 Mevastatin 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-K94441233-001-17-1 mevastatin 0 90.88 MicroSource 1601000 MEVASTATIN 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-A83177971-001-04-0 BRD-K94441233-001-19-9 mevastatin 0 85.77 Tocris 1526 Mevastatin 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-K94441233-001-16-3 mevastatin 0 76.45 Selleck S4223 Mevastatin 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-K31414443-001-01-4 BRD-K94441233-001-13-0 mevastatin 0 87.18 Selleck S4223 Mevastatin 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-K94441233-001-12-2 mevastatin 0 93.53 Tocris 1526 Mevastatin 390.241 "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:12,t:10|" AJLFOPYRIVGYMJ-INTXDZFKSA-N 64715 BRD-K18613660-001-05-5 mexeneone 0 97.41 MicroSource 1506199 MEXENEONE 242.094 COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 MJVGBKJNTFCUJM-UHFFFAOYSA-N 71645 BRD-A64092382-003-18-3 mexiletine 0 98.76 MicroSource 1503929 MEXILETINE HYDROCHLORIDE 179.131 C[C@@H](N)COc1c(C)cccc1C |&1:1| VLPIATFUUWWMKC-SNVBAGLBSA-N 180621 BRD-A64092382-003-19-1 mexiletine 0 90.69 Tocris 2596 Mexiletine hydrochloride 179.131 C[C@@H](N)COc1c(C)cccc1C |&1:1| VLPIATFUUWWMKC-SNVBAGLBSA-N 180621 BRD-A64092382-003-17-5 mexiletine 0 97.64 Tocris 2596 Mexiletine hydrochloride 179.131 C[C@@H](N)COc1c(C)cccc1C |&1:1| VLPIATFUUWWMKC-SNVBAGLBSA-N 180621 BRD-A64092382-003-20-9 mexiletine 0 84.51 Tocris 2596 Mexiletine hydrochloride 179.131 C[C@@H](N)COc1c(C)cccc1C |&1:1| VLPIATFUUWWMKC-SNVBAGLBSA-N 180621 BRD-A64092382-003-16-7 mexiletine 0 94.61 Selleck S4225 Mexiletine HCl 179.131 C[C@@H](N)COc1c(C)cccc1C |&1:1| VLPIATFUUWWMKC-SNVBAGLBSA-N 180621 BRD-K45114938-236-02-6 mezlocillin 0 72.44 Selleck S4179 Mezlocillin Sodium 539.114 CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)c3ccccc3)C(=O)N2[C@@H]1C(O)=O YPBATNHYBCGSSN-ZJOBFFGXSA-N 71729966 BRD-K53064842-236-01-9 BRD-K45114938-236-03-4 mezlocillin 0 86.88 Selleck S4179 Mezlocillin Sodium 539.114 CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)c3ccccc3)C(=O)N2[C@@H]1C(O)=O YPBATNHYBCGSSN-ZJOBFFGXSA-N 71729966 BRD-K45114938-236-01-8 mezlocillin 0 88.63 Selleck S4179 Mezlocillin Sodium 539.114 CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)c3ccccc3)C(=O)N2[C@@H]1C(O)=O YPBATNHYBCGSSN-ZJOBFFGXSA-N 71729966 BRD-K34328244-001-02-9 MF-101 0 98.01 MedChemEx HY-N0377 Liquiritigenin 256.074 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 FURUXTVZLHCCNA-AWEZNQCLSA-N 114829 BRD-K34328244-001-01-4 MF-101 0 98 InterBioScreen STOCK1N-11167 256.074 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 FURUXTVZLHCCNA-AWEZNQCLSA-N 114829 BRD-K60230970-001-17-5 MG-132 0 86.03 Selleck S2619 MG-132 475.305 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O TZYWCYJVHRLUCT-VABKMULXSA-N 462382 BRD-K60230970-001-13-4 MG-132 0 66.74 Selleck S2619 MG-132 475.305 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O TZYWCYJVHRLUCT-VABKMULXSA-N 462382 BRD-K60230970-001-16-7 MG-132 0 76.23 Selleck S2619 MG-132 475.305 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O TZYWCYJVHRLUCT-VABKMULXSA-N 462382 BRD-K03128577-005-07-0 MG-624 0 93.43 Tocris 1356 MG 624 324.233 CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 YIMFXBPXUPTIEJ-OUKQBFOZSA-N 5824382 BRD-K03128577-005-08-9 MG-624 0 94.39 Tocris 1356 MG 624 324.233 CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 YIMFXBPXUPTIEJ-OUKQBFOZSA-N 5824382 BRD-K03128577-005-06-2 MG-624 0 58.46 Tocris 1356 MG 624 324.233 CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 YIMFXBPXUPTIEJ-OUKQBFOZSA-N 5824382 BRD-K56277358-001-07-5 MGCD-265 0 92.2 Selleck S1361 MGCD-265 517.104 Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 UFICVEHDQUKCEA-UHFFFAOYSA-N 24901704 BRD-K26726854-001-01-0 MI-14 0 92.97 Tocris 5604 MI 14 450.124 CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 PSTAJIONBVMKLA-UHFFFAOYSA-N 91758319 BRD-K26726854-001-02-9 MI-14 0 93.76 Tocris 5604 MI 14 450.124 CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 PSTAJIONBVMKLA-UHFFFAOYSA-N 91758319 BRD-A19661776-003-27-6 mianserin 0 98.04 MicroSource 2300292 MIANSERIN HYDROCHLORIDE 264.163 CN1CCN2C(C1)c1ccccc1Cc1ccccc21 UEQUQVLFIPOEMF-UHFFFAOYSA-N 68551 BRD-A19661776-003-28-4 mianserin 0 94.56 Selleck S1382 Mianserin hydrochloride 264.163 CN1CCN2C(C1)c1ccccc1Cc1ccccc21 UEQUQVLFIPOEMF-UHFFFAOYSA-N 68551 BRD-A19661776-003-26-8 mianserin 0 95.35 Tocris 997 Mianserin hydrochloride 264.163 CN1CCN2C(C1)c1ccccc1Cc1ccccc21 UEQUQVLFIPOEMF-UHFFFAOYSA-N 68551 BRD-A19661776-003-25-0 mianserin 0 25.92 Selleck S1382 Mianserin HCl 264.163 CN1CCN2C(C1)c1ccccc1Cc1ccccc21 UEQUQVLFIPOEMF-UHFFFAOYSA-N 68551 BRD-K42981054-001-02-9 mibampator 0 97.74 MedChemEx HY-10934 Mibampator 438.165 CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(CCNS(C)(=O)=O)cc1 ULRDYYKSPCRXAJ-KRWDZBQOSA-N 9889366 BRD-K42981054-001-01-9 mibampator 0 99.84 MedChemEx HY-10934 LY451395 438.165 CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(CCNS(C)(=O)=O)cc1 ULRDYYKSPCRXAJ-KRWDZBQOSA-N 9889366 BRD-K09549677-300-04-2 mibefradil 0 95.63 Tocris 2198 Mibefradil dihydrochloride 495.29 COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C HBNPJJILLOYFJU-VMPREFPWSA-N 60663 BRD-K09549677-300-03-4 mibefradil 0 97.32 Tocris 2198 Mibefradil dihydrochloride 495.29 COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C HBNPJJILLOYFJU-VMPREFPWSA-N 60663 BRD-K09549677-300-09-9 mibefradil 0 93.93 Tocris 2198 Mibefradil dihydrochloride 495.29 COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C HBNPJJILLOYFJU-VMPREFPWSA-N 60663 BRD-K40407248-236-01-6 micafungin 0 37.78 MedChemEx HY-16321 Micafungin (sodium) 1269.438 CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O PIEUQSKUWLMALL-YABMTYFHSA-N 477468 BRD-A06596811-236-02-5 BRD-K40407248-001-04-9 micafungin 0 94.45 MedChemEx HY-16321 Micafungin (sodium) 1269.438 CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O PIEUQSKUWLMALL-YABMTYFHSA-N 477468 BRD-K40407248-236-02-4 micafungin 0 38.91 MedChemEx HY-16321 Micafungin (sodium) 1269.438 CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O PIEUQSKUWLMALL-YABMTYFHSA-N 477468 BRD-A06596811-236-01-7 BRD-K01826511-001-16-9 miconazole 0 98.41 Selleck S2536 Miconazole 413.986 "Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 |&1:7,r|" BYBLEWFAAKGYCD-SFHVURJKSA-N 1150344 BRD-K01826511-008-18-9 miconazole 0 96.46 Tocris 3016 Miconazole nitrate 413.986 "Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 |&1:7,r|" BYBLEWFAAKGYCD-SFHVURJKSA-N 1150344 BRD-K18552138-001-01-8 micronomicin 0 0 AvaChem 1979 "(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranoside" 463.301 CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 DNYGXMICFMACRA-XHEDQWPISA-N 3037206 BRD-K18552138-065-01-3 micronomicin 0 0 AlfaAesar J66072 Micronomicin sulfate 463.301 CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 DNYGXMICFMACRA-XHEDQWPISA-N 3037206 BRD-K45163704-001-02-3 midafotel 0 100 Tocris 1265 (2R)-4-[(2E)-3-phosphono-2-propenyl]-2-piperazinecarboxylic acid 250.072 OC(=O)[C@H]1CN(C\C=C\P(O)(O)=O)CCN1 VZXMZMJSGLFKQI-ABVWVHJUSA-N 6435801 BRD-K45163704-001-01-5 midafotel 0 0 EMDBio 504840-10MG (R)-CPPene 250.072 OC(=O)[C@H]1CN(C\C=C\P(O)(O)=O)CCN1 VZXMZMJSGLFKQI-ABVWVHJUSA-N 6435801 BRD-K68822425-001-01-6 midecamycin 0 0 AvaChem 2013 "(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-(((2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-y;l)oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-o" 813.451 "CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C |t:32,34|" DMUAPQTXSSNEDD-RVVOCHMRSA-N BRD-A79981887-003-16-4 midodrine 0 96.09 MicroSource 1503257 MIDODRINE HYDROCHLORIDE 254.127 COc1ccc(OC)c(c1)[C@@H](O)CNC(=O)CN |&1:10| PTKSEFOSCHHMPD-JTQLQIEISA-N 13589226 BRD-A79981887-001-17-9 midodrine 0 80.26 PrincetonBio PBMR178353 "2-Amino-N-[2-(2,5-dimethoxy-phenyl)-2-hydroxy-ethyl]-acetamide" 254.127 COc1ccc(OC)c(c1)[C@@H](O)CNC(=O)CN |&1:10| PTKSEFOSCHHMPD-JTQLQIEISA-N 13589226 BRD-K13646352-001-03-8 midostaurin 0 95.95 Enzo EI370 PKC-412 570.227 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 9829523 BRD-K13646352-001-02-0 midostaurin 0 27.88 Enzo EI-370 PKC-412 570.227 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 9829523 BRD-K37270826-001-29-2 mifepristone 0 91.17 Tocris 1479 Mifepristone 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-K37270826-001-31-8 mifepristone 0 79.2 MicroSource 1505615 MIFEPRISTONE 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-A79939557-001-01-7 BRD-K37270826-001-27-6 mifepristone 0 95.32 Selleck S2606 Mifepristone (Mifeprex) 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-K37270826-001-32-9 mifepristone 0 90.15 Tocris 1479 Mifepristone 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-K37270826-001-30-0 mifepristone 0 78.61 Selleck S2606 Mifepristone 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-K46504237-001-01-5 BRD-K37270826-001-26-8 mifepristone 0 79.18 Tocris 1479 Mifepristone 429.267 "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|" VKHAHZOOUSRJNA-GCNJZUOMSA-N 55245 BRD-K00004244-001-01-9 mifobate 0 92.31 Tocris 2022 SR 202 358.014 "COP(=O)(OC)O[C@@H](c1ccc(Cl)cc1)P(=O)(OC)OC |&1:7,r|" VQHUQHAPWMNBLP-LLVKDONJSA-N 76958126 BRD-K44779798-001-10-7 miglitol 0 100 Tocris 4985 Miglitol 207.111 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO IBAQFPQHRJAVAV-ULAWRXDQSA-N 441314 BRD-K44779798-001-12-9 miglitol 0 100 Tocris 4985 Miglitol 207.111 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO IBAQFPQHRJAVAV-ULAWRXDQSA-N 441314 BRD-K44779798-001-11-5 miglitol 0 94.58 Selleck S2589 Miglitol 207.111 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO IBAQFPQHRJAVAV-ULAWRXDQSA-N 441314 BRD-K82665349-001-01-4 BRD-K33251802-001-01-3 miglustat 0 100 Enzo SL230 N-Butyldeoxynojirmycin HCL 219.147 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO UQRORFVVSGFNRO-UTINFBMNSA-N 51634 BRD-K33251802-003-15-9 miglustat 0 75.19 MedChemEx HY-17020A Miglustat (hydrochloride) 219.147 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO UQRORFVVSGFNRO-UTINFBMNSA-N 51634 BRD-K64338723-001-02-9 milacemide 0 100 Enamine EN300-128867 2-(pentylamino)acetamide 144.126 CCCCCNCC(N)=O GJNNXIYZWIZFRH-UHFFFAOYSA-N 53569 BRD-K64338723-001-01-6 milacemide 0 92.25 Enamine Z104536260 144.126 CCCCCNCC(N)=O GJNNXIYZWIZFRH-UHFFFAOYSA-N 53569 BRD-K00003406-001-01-9 milademetan 0 94.54 MedChemEx HY-101266 Milademetan 617.197 CC1(C)CCC2(CC1)N[C@H]([C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O RYAYYVTWKAOAJF-QISPRATLSA-N 73297272 BRD-K00004287-003-01-9 milnacipran 0 96.28 Tocris 3286 Milnacipran hydrochloride 246.173 CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1 |r| GJJFMKBJSRMPLA-DZGCQCFKSA-N 6917779 BRD-K67080878-001-16-2 milrinone 0 99.84 MicroSource 1505489 MILRINONE 211.075 Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N PZRHRDRVRGEVNW-UHFFFAOYSA-N 4197 BRD-K67080878-001-15-4 milrinone 0 100 Selleck S2484 Milrinone 211.075 Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N PZRHRDRVRGEVNW-UHFFFAOYSA-N 4197 BRD-K67080878-001-22-9 milrinone 0 97.86 Tocris 1504 Milrinone 211.075 Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N PZRHRDRVRGEVNW-UHFFFAOYSA-N 4197 BRD-K01824991-001-04-9 miltefosine 0 92.47 MicroSource 1505329 MILTEFOSINE [5mM] 408.324 CCCCCCCCCCCCCCCCOP(O)(=O)OCC[N+](C)(C)C |&1:17| PQLXHQMOHUQAKB-UHFFFAOYSA-O 3600 BRD-K67642028-001-04-4 mimosine 0 50.1 Sigma MFCD00075909 (2S)-2-amino-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propanoic acid 198.064 N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O WZNJWVWKTVETCG-YFKPBYRVSA-N 6971294 BRD-K67642028-001-03-6 mimosine 0 0 Enzo CC102 "Mimosine, L-" 198.064 N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O WZNJWVWKTVETCG-YFKPBYRVSA-N 6971294 BRD-K02867583-300-15-9 minaprine 0 97.21 MedChemEx HY-B0884A Minaprine (dihydrochloride) 298.179 Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1 LDMWSLGGVTVJPG-UHFFFAOYSA-N 4199 BRD-K02867583-300-08-9 minaprine 0 99.62 MicroSource 1501120 MINAPRINE HYDROCHLORIDE 298.179 Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1 LDMWSLGGVTVJPG-UHFFFAOYSA-N 4199 BRD-A74347210-001-01-7 minerval 0 100 Sigma SML0256 (9Z)-2-hydroxy-9-octadecenoic acid 298.251 "CCCCCCCC\C=C/CCCCCC[C@@H](O)C(O)=O |&1:16,r|" JBSOOFITVPOOSY-DOOKAGJSSA-N 11066464 BRD-K00003346-003-01-9 minocycline 0 95.77 MedChemEx HY-17412 Minocycline (hydrochloride) 457.185 "[H][C@@]12Cc3c(ccc(O)c3C(=O)[C@@H]1C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |&1:19,&2:12|" ZZZRUAITSXLWBH-NOHUXHDNSA-N 129396801 BRD-K89337853-001-01-1 minodronic-acid 0 0 AKSci Y0229 322.012 OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O VMMKGHQPQIEGSQ-UHFFFAOYSA-N 130956 BRD-K89337853-001-02-9 minodronic-acid 0 0 AvaChem 2663H "1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyldiphosphonic acid" 322.012 OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O VMMKGHQPQIEGSQ-UHFFFAOYSA-N 130956 BRD-K06902185-001-21-9 minoxidil 0 93.21 Tocris 583 Minoxidil 209.128 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 ZFMITUMMTDLWHR-UHFFFAOYSA-N BRD-K06902185-003-01-7 minoxidil 0 94.83 MicroSource 1500415 MINOXIDIL HYDROCHLORIDE 209.128 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 ZFMITUMMTDLWHR-UHFFFAOYSA-N BRD-K06902185-001-16-9 minoxidil 0 92.54 Selleck S1383 Minoxidil 209.128 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 ZFMITUMMTDLWHR-UHFFFAOYSA-N BRD-K06902185-001-22-7 minoxidil 0 96.36 Sigma MFCD00063409 6-amino-2-imino-4-(1-piperidinyl)-1(2H)-pyrimidinol 209.128 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 ZFMITUMMTDLWHR-UHFFFAOYSA-N BRD-K14888893-001-14-8 BRD-K06902185-001-17-7 minoxidil 0 94.02 Tocris 583 Minoxidil 209.128 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 ZFMITUMMTDLWHR-UHFFFAOYSA-N BRD-K30764557-001-01-5 miocamycin 0 92.27 AvaChem 2845 "(2S,3S,4R,6S)-4-acetoxy-6-(((2R,3S,4R,5R,6S)-6-(((4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl)oxy)-4-(dimet;hylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)o" 897.472 "CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(C)=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C |t:38,40|" GQNZGCARKRHPOH-XUDBFGHTSA-N BRD-K39706510-001-03-9 MIRA-1 0 0 Tocris 3362 MIRA-1 183.053 CCC(=O)OCN1C(=O)C=CC1=O |c:9| YXEWPGYLMHXLPS-UHFFFAOYSA-N 227681 BRD-K47949423-001-02-3 mirabegron 0 33.67 Selleck S4009 Mirabegron 396.162 Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 PBAPPPCECJKMCM-IBGZPJMESA-N 9865528 BRD-K47949423-001-04-9 mirabegron 0 78.36 MedChemEx HY-14773 Mirabegron 396.162 Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 PBAPPPCECJKMCM-IBGZPJMESA-N 9865528 BRD-K47949423-001-03-1 mirabegron 0 95.25 Selleck S4009 Mirabegron (YM178) 396.162 Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 PBAPPPCECJKMCM-IBGZPJMESA-N 9865528 BRD-K00003434-001-01-9 miridesap 0 91.03 MedChemEx HY-101861 Miridesap 340.163 OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O HZLAWYIBLZNRFZ-VXGBXAGGSA-N 125516 BRD-K55420858-001-02-8 mirin 0 89.76 Tocris 3190 Mirin 220.031 NC1=NC(=O)\C(S1)=C\c1ccc(O)cc1 |t:1| YBHQCJILTOVLHD-YVMONPNESA-N 137319711 BRD-K55420858-001-01-0 mirin 0 96.61 Sigma M9948 mirin 220.031 NC1=NC(=O)\C(S1)=C\c1ccc(O)cc1 |t:1| "InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-" 137319711 BRD-M78068755-001-02-0 miriplatin 0 0 MedChemEx HY-16325A Miriplatin 765.498 "[Pt++].N[C@H]1CCCC[C@@H]1N.CCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCC(O)=O |&1:2,&2:7,r|" BGIHRZPJIYJKAZ-JPLLOCSESA-N BRD-M78068755-001-01-2 miriplatin 1 0 MedChemEx HY-16325A Miriplatin 765.498 "[Pt++].N[C@H]1CCCC[C@@H]1N.CCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCC(O)=O |&1:2,&2:7,r|" BGIHRZPJIYJKAZ-JPLLOCSESA-N BRD-K82967685-300-01-2 mirodenafil 0 97.2 MedChemEx HY-14930A Mirodenafil (dihydrochloride) 531.252 CCCOc1ccc(cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCO)CC1 MIJFNYMSCFYZNY-UHFFFAOYSA-N 135497803 BRD-K82967685-300-02-9 mirodenafil 0 96.4 MedChemEx HY-14930A Mirodenafil (dihydrochloride) 531.252 CCCOc1ccc(cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCO)CC1 MIJFNYMSCFYZNY-UHFFFAOYSA-N 135497803 BRD-K00003484-074-01-9 mirogabalin-besylate 0 91.92 MedChemEx HY-108006 Mirogabalin besylate 209.142 [H][C@@]12C[C@](CN)(CC(O)=O)[C@]1([H])C=C(CC)C2 |t:13| FTBQORVNHOIASH-CKYFFXLPSA-N 59509752 BRD-A64977602-001-16-7 mirtazapine 0 98.62 Tocris 2018 Mirtazapine 265.158 "CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 |&1:5,r|" RONZAEMNMFQXRA-INIZCTEOSA-N 3085219 BRD-A64977602-001-15-9 mirtazapine 0 98.93 MicroSource 1506333 MIRTAZAPINE 265.158 "CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 |&1:5,r|" RONZAEMNMFQXRA-INIZCTEOSA-N 3085219 BRD-A64977602-001-17-9 mirtazapine 0 92.07 Tocris 2018 Mirtazapine 265.158 "CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 |&1:5,r|" RONZAEMNMFQXRA-INIZCTEOSA-N 3085219 BRD-A64977602-001-13-4 mirtazapine 0 93.83 Selleck S2016 Mirtazapine 265.158 "CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 |&1:5,r|" RONZAEMNMFQXRA-INIZCTEOSA-N 3085219 BRD-A64977602-001-14-2 mirtazapine 0 96.32 Tocris 2018 Mirtazapine 265.158 "CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21 |&1:5,r|" RONZAEMNMFQXRA-INIZCTEOSA-N 3085219 BRD-A16263897-001-06-6 misonidazole 0 96.47 Cayman 15606 1-methoxy-3-(2-nitro-1H-imidazol-1-yl)-2-propanol 201.075 "COC[C@@H](O)Cn1ccnc1[N+]([O-])=O |&1:3,r|" OBBCSXFCDPPXOL-LURJTMIESA-N 73050801 BRD-A72351335-001-04-5 misoprostol 0 99.4 Sigma M6807 "methyl (11beta,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate" 382.272 "CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |a:10,11,16,&1:4|" OJLOPKGSLYJEMD-URPKTTJQSA-N 5282381 BRD-K00003136-001-01-9 mitapivat 0 98.12 MedChemEx HY-12689 Mitapivat 450.173 O=C(N1CCN(CC2CC2)CC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 XAYGBKHKBBXDAK-UHFFFAOYSA-N 59634741 BRD-K52959329-238-01-9 mitiglinide 0 98.47 Selleck S2073 Mitiglinide calcium 315.183 OC(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1 WPGGHFDDFPHPOB-BBWFWOEESA-N 121891 BRD-M71049352-238-02-2 BRD-K52959329-238-02-9 mitiglinide 0 96.66 MedChemEx HY-17398 Mitiglinide (Calcium) 315.183 OC(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1 WPGGHFDDFPHPOB-BBWFWOEESA-N 121891 BRD-K35882976-001-04-7 mitoflaxone 0 98.8 Specs AN-308/15495081 2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid 280.074 OC(=O)Cc1cccc2c1oc(cc2=O)-c1ccccc1 TZZNWMJZDWYJAZ-UHFFFAOYSA-N 55748 BRD-K59670716-001-20-9 mitomycin-C 0 94.66 Tocris 3258 Mitomycin C 334.128 "CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O |c:10,t:22|" NWIBSHFKIJFRCO-WUDYKRTCSA-N 5746 BRD-K00003362-066-01-9 mitoquinone 0 42.65 MedChemEx HY-100116A Mitoquinone (mesylate) 583.298 "COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O |c:2,t:40|" OIIMUKXVVLRCAF-UHFFFAOYSA-N 11388332 BRD-A31204924-001-18-3 mitotane 0 0 MedChemEx HY-13690 Mitotane 317.954 "ClC(Cl)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl |&1:3,r|" JWBOIMRXGHLCPP-ZDUSSCGKSA-N 6603772 BRD-A31204924-001-14-2 mitotane 1 96.39 MicroSource 330082 MITOTANE 317.954 "ClC(Cl)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl |&1:3,r|" JWBOIMRXGHLCPP-ZDUSSCGKSA-N 6603772 BRD-A31204924-001-17-5 mitotane 1 0 MedChemEx HY-13690 Mitotane 317.954 "ClC(Cl)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl |&1:3,r|" JWBOIMRXGHLCPP-ZDUSSCGKSA-N 6603772 BRD-A31204924-001-16-7 mitotane 1 0 Selleck S1732 Mitotane 317.954 "ClC(Cl)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl |&1:3,r|" JWBOIMRXGHLCPP-ZDUSSCGKSA-N 6603772 BRD-A31204924-001-13-4 mitotane 1 0 Selleck S1732 Mitotane 317.954 "ClC(Cl)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl |&1:3,r|" JWBOIMRXGHLCPP-ZDUSSCGKSA-N 6603772 BRD-K21680192-300-15-1 mitoxantrone 0 89.42 MicroSource 1503278 MITOXANTRONE HYDROCHLORIDE 444.201 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 KKZJGLLVHKMTCM-UHFFFAOYSA-N 4212 BRD-K21680192-300-16-9 mitoxantrone 0 96.79 Selleck S2485 Mitoxantrone Hydrochloride 444.201 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 KKZJGLLVHKMTCM-UHFFFAOYSA-N 4212 BRD-K21680192-300-14-4 mitoxantrone 0 87.64 Selleck S2485 Mitoxantrone HCl 444.201 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 KKZJGLLVHKMTCM-UHFFFAOYSA-N 4212 BRD-A48465967-300-01-1 mivacurium 0 47.83 AKSci 71667 1028.561 "COc1cc2CC[N@@+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3cc(OC)c(OC)c(OC)c3)[C@H](Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC |a:41,55,&1:7,&2:27|" ILVYCEVXHALBSC-GZICNWBJSA-N 22839211 BRD-K00003356-001-01-9 mivebresib 0 97.87 MedChemEx HY-100015 Mivebresib 459.106 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 RDONXGFGWSSFMY-UHFFFAOYSA-N 71600087 BRD-K39576764-071-01-6 mivobulin 0 80.61 Sigma PH014089 "ethyl 5-amino-2-methyl-3-phenyl-1,4-dihydropyrido[4,3-b]pyrazin-7-ylcarbamate 2-hydroxyethanesulfonate" 325.154 CCOC(=O)Nc1cc2N=C(C)C(Nc2c(N)n1)c1ccccc1 |t:9| XOJFFEJRKAIVCH-UHFFFAOYSA-N BRD-K00003146-318-01-9 MIW-815 0 96.81 MedChemEx HY-12885B ADU-S100 (ammonium salt) 690.059 [H][C@]12CO[P@](S)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])CO[P@](S)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c(N)ncnc13)[C@]2([H])O)n1cnc2c(N)ncnc12 IZJJFUQKKZFVLH-YBVMPXGUSA-N BRD-K21884483-001-04-9 mizolastine 0 98.97 MedChemEx HY-B0164 Mizolastine 432.207 CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nc(=O)cc[nH]1 PVLJETXTTWAYEW-UHFFFAOYSA-N 65906 BRD-K21884483-001-03-7 mizolastine 0 98.43 Selleck S2107 Mizolastine (Mizollen) 432.207 CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nc(=O)cc[nH]1 PVLJETXTTWAYEW-UHFFFAOYSA-N 65906 BRD-K88061624-001-20-6 mizoribine 0 0 MicroSource 1503416 MIZORIBINE 259.08 NC(=O)C1N=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O |c:4| OPMVDWXPLVKNQN-AAXBYFMASA-N 11949547 BRD-K88061624-001-21-4 mizoribine 0 100 Selleck S1384 Mizoribine (Bredinin) 259.08 NC(=O)C1N=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O |c:4| OPMVDWXPLVKNQN-AAXBYFMASA-N 11949547 BRD-K88061624-001-22-2 mizoribine 0 0 Selleck S1384 Mizoribine 259.08 NC(=O)C1N=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O |c:4| OPMVDWXPLVKNQN-AAXBYFMASA-N 11949547 BRD-K05218031-001-01-9 BRD-K88061624-001-23-9 mizoribine 0 0 MedChemEx HY-17470 Mizoribine 259.08 NC(=O)C1N=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O |c:4| OPMVDWXPLVKNQN-AAXBYFMASA-N 11949547 BRD-K71315565-001-01-6 MJ-15 0 92.68 Tocris 4063 MJ 15 470.047 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1 PJEIKJFNEFJFLA-UHFFFAOYSA-N 59377482 BRD-K71315565-001-02-9 MJ-15 0 97.94 Tocris 4063 MJ 15 470.047 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1 PJEIKJFNEFJFLA-UHFFFAOYSA-N 59377482 BRD-K91405252-001-01-9 MK-0354 0 94.22 MedChemEx HY-13008 MK-0354 176.081 C1Cc2[nH]nc(-c3nn[nH]n3)c2C1 LTQYSJKGRPGMPO-UHFFFAOYSA-N 11159621 BRD-K00003190-001-01-9 MK-0557 0 97.35 MedChemEx HY-15411 MK-0557 406.144 Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@]3(CC2)OC(=O)c2ccncc32)n1 |r| RMYZIRFUCOMQRH-XLOAEROZSA-N BRD-K00004557-001-01-9 MK-0608 0 94.93 Sigma MFCD14584964 "(2R,3R,4R,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol" 280.117 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc12 IRZRJANZDIOOIF-GAJNKVMBSA-N 3011893 BRD-K18850819-001-04-6 MK-0752 0 93.39 Selleck S2660 MK-0752 442.082 OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r| XCGJIFAKUZNNOR-QCKZDCLWSA-N BRD-K38868394-001-02-9 MK-0773 0 94.96 MedChemEx HY-11027 MK-0773 479.27 CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](C(=O)NCc5nc6ncccc6[nH]5)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C(F)C1=O |t:35| GBEUKTWTUSPHEE-JWJWXJQQSA-N 11950726 BRD-K38868394-001-01-3 MK-0773 0 97.69 MedChemEx HY-11027 MK-0773 479.27 CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](C(=O)NCc5nc6ncccc6[nH]5)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C(F)C1=O |t:35| GBEUKTWTUSPHEE-JWJWXJQQSA-N 11950726 BRD-K14175878-036-02-9 MK-0812 0 95.66 MedChemEx HY-50669A MK-0812 (Succinate) 469.255 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F MTMDXAIUENDNDL-RJSMDTJLSA-N 11180808 BRD-K14175878-001-01-6 MK-0812 0 97.78 MedChemEx HY-50669 MK-0812 469.255 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F MTMDXAIUENDNDL-RJSMDTJLSA-N 11180808 BRD-K16732600-001-02-9 MK-0893 0 97.29 MedChemEx HY-50663 MK 0893 587.138 COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 DNTVJEMGHBIUMW-IBGZPJMESA-N 11570626 BRD-K16732600-001-01-7 MK-0893 0 98.42 MedChemEx HY-50663 MK 0893 587.138 COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 DNTVJEMGHBIUMW-IBGZPJMESA-N 11570626 BRD-K00003304-001-01-9 MK-1064 0 98.07 MedChemEx HY-19914 MK-1064 461.125 COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC CKTWQGHVNRYNCM-UHFFFAOYSA-N 44633765 BRD-K54256913-001-08-7 MK-1775 0 91.74 Selleck S1525 MK-1775 500.265 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 BKWJAKQVGHWELA-UHFFFAOYSA-N 24856436 BRD-K54256913-001-05-3 MK-1775 0 88.15 Selleck S1525 MK-1775 500.265 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 "InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)" 24856436 BRD-K00004660-001-01-9 MK-1903 0 100 Enamine EN300-2008229 "rac-(2R,4R)-8,9-diazatricyclo[4.3.0.0,2,4]nona-1(6),7-diene-7-carboxylic acid" 164.059 OC(=O)c1n[nH]c2[C@@H]3C[C@@H]3Cc12 CUTZNERBKDMLAP-QWWZWVQMSA-N 49763030 BRD-K03128512-001-03-6 MK-2048 0 0 Selleck S2765 MK-2048 461.127 CCN1C[C@H](C)n2c(c(O)c3c2c(nn(Cc2ccc(F)c(Cl)c2)c3=O)C(=O)NC)C1=O JSRREMIKIHJGAA-JTQLQIEISA-N 54698642 BRD-K66135050-001-01-7 BRD-K03128512-001-02-8 MK-2048 0 61.42 Selleck S2765 MK-2048 461.127 CCN1C[C@H](C)n2c(c(O)c3c2c(nn(Cc2ccc(F)c(Cl)c2)c3=O)C(=O)NC)C1=O JSRREMIKIHJGAA-JTQLQIEISA-N 54698642 BRD-K03128512-001-04-4 MK-2048 0 71.99 Selleck S2765 MK-2048 461.127 CCN1C[C@H](C)n2c(c(O)c3c2c(nn(Cc2ccc(F)c(Cl)c2)c3=O)C(=O)NC)C1=O JSRREMIKIHJGAA-JTQLQIEISA-N 54698642 BRD-K68065987-300-09-1 MK-2206 0 97.67 Selleck S1078 MK-2206 2HCl 407.175 NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 ULDXWLCXEDXJGE-UHFFFAOYSA-N 24964624 BRD-K68065987-300-01-8 MK-2206 0 Stanley Akt_Compound 1 407.175 NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 ULDXWLCXEDXJGE-UHFFFAOYSA-N 24964624 BRD-K68065987-300-03-4 MK-2206 0 Selleck S1078 MK-2206 407.175 NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 "InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)" 24964624 BRD-K43316319-001-01-8 MK-2295 0 97.5 DuPont A002859262 N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine 434.097 FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 VTANGSDRFFLTSQ-UHFFFAOYSA-N 11247522 BRD-K56405753-001-03-9 MK-2461 0 95.82 MedChemEx HY-50703 MK-2461 495.158 CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 JGEBLDKNWBUGRZ-HXUWFJFHSA-N 44137946 BRD-K56405753-001-02-4 MK-2461 0 93.34 Selleck S2774 MK-2461 495.158 CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 JGEBLDKNWBUGRZ-HXUWFJFHSA-N 44137946 BRD-K27983781-001-01-4 MK-2894 0 92.79 MedChemEx HY-10413 MK-2894 473.127 Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F QJZQFVRFJCGDKF-UHFFFAOYSA-N 24952929 BRD-K66911501-003-02-9 MK-3207 0 96.27 MedChemEx HY-10302 MK-3207 (Hydrochloride) 557.224 Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 AZAANWYREOQRFB-SETSBSEESA-N 25019940 BRD-K66911501-003-01-2 MK-3207 0 98.79 MedChemEx HY-10302 MK-3207 (Hydrochloride) 557.224 Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 AZAANWYREOQRFB-SETSBSEESA-N 25019940 BRD-K95828359-001-01-0 MK-3697 0 97.36 MedChemEx HY-12301 MK-3697 447.137 COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC VSOUDUXMPUHJEU-UHFFFAOYSA-N 46190695 BRD-K95828359-001-02-9 MK-3697 0 87.71 MedChemEx HY-12301 MK-3697 447.137 COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC VSOUDUXMPUHJEU-UHFFFAOYSA-N 46190695 BRD-K00003482-001-01-9 MK-4074 0 97.17 MedChemEx HY-107709 MK-4074 565.221 COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O WDBNGXLHMZSUEI-UHFFFAOYSA-N 24964679 BRD-K03886848-001-01-8 MK-5046 0 90.83 MedChemEx HY-14342 MK-5046 444.138 O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F UJINBEQCDMOAHM-SFHVURJKSA-N 49871766 BRD-K53665955-001-03-0 MK-5108 0 92.92 Selleck S2770 MK-5108 (VX-689) 461.098 OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r| LCVIRAZGMYMNNT-VVONHTQRSA-N BRD-K53665955-001-04-8 MK-5108 0 94.03 Focus Oct-4618 MK-5108(VX-689) 461.098 OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r| LCVIRAZGMYMNNT-VVONHTQRSA-N BRD-A73679382-236-01-8 MK-571 0 94.07 MedChemEx HY-19989A MK-571 (sodium salt) 514.115 CN(C)C(=O)CCS[C@@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |&1:8| AXUZQJFHDNNPFG-JORPFSLRSA-N 14325224 BRD-K03894385-001-01-1 MK-6096 0 97.98 MedChemEx HY-15653 MK-6096 420.196 C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 NPFDWHQSDBWQLH-QZTJIDSGSA-N 25128145 BRD-K00003199-001-01-9 MK-7246 0 92.5 MedChemEx HY-15853 MK-7246 416.121 CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 JTCAGRAKUAAYDY-OAHLLOKOSA-N 45268455 BRD-K00003194-001-01-9 MK-7622 0 92.11 MedChemEx HY-15618 MK-7622 399.195 Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 JUVQLZBJFOGEEO-GOTSBHOMSA-N 46207733 BRD-K55512740-001-01-6 MK-8033 0 91.91 MedChemEx HY-13299 MK-8033 471.137 Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 VMJFTOSOFDEKTM-UHFFFAOYSA-N 45142457 BRD-K55512740-001-02-9 MK-8033 0 85.68 MedChemEx HY-13299 MK-8033 471.137 Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 VMJFTOSOFDEKTM-UHFFFAOYSA-N 45142457 BRD-K29656036-001-02-5 MK-8245 0 96.51 Selleck S1158 MK-8245 466.04 OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br UJEAABFSXKCSGI-UHFFFAOYSA-N 24988881 BRD-K29656036-001-03-9 MK-8245 0 97.44 MedChemEx HY-13070 MK-8245 466.04 OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br UJEAABFSXKCSGI-UHFFFAOYSA-N 24988881 BRD-K00003397-001-01-9 MK-8617 0 93.74 MedChemEx HY-101023 MK-8617 443.159 COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1 WXLPERVDMILVIF-UHFFFAOYSA-N 44230662 BRD-K25279140-001-01-5 MK-8745 0 93.7 Selleck S7065 MK-8745 431.098 Fc1c(Cl)cccc1C(=O)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1 YCRFPWKUUNKNDN-UHFFFAOYSA-N 11676373 BRD-K25279140-001-02-9 MK-8745 0 97.88 MedChemEx HY-13819 MK-8745 431.098 Fc1c(Cl)cccc1C(=O)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1 YCRFPWKUUNKNDN-UHFFFAOYSA-N 11676373 BRD-K20168484-001-07-9 MK-886 0 98.24 MedChemEx HY-14166 MK-886 471.2 CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 QAOAOVKBIIKRNL-UHFFFAOYSA-N 3651377 BRD-K86677390-001-02-9 MK-8998 0 97.27 MedChemEx HY-101096 Calcium channel inhibitor 1 380.171 CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 IQIKXZMPPBEWAD-CQSZACIVSA-N 24765479 BRD-K90316462-003-01-1 MK2-IN-1 0 91.11 MedChemEx HY-12834A MK2-IN-1 (hydrochloride) 472.167 Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1 LIPNXDIBECKOMJ-UHFFFAOYSA-N 53475321 BRD-K61695967-003-02-1 MKT-077 0 0 Tocris 4621 MKT 077 396.12 CCn1\c(=C/c2cccc[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O QLYHOWIZHHZGPV-XUTLUUPISA-N 6912334 BRD-K61695967-003-01-3 MKT-077 0 49.21 Cayman 14395 "1-ethyl-2-{(E)-[(5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl}pyridinium chloride" 396.12 CCn1\c(=C/c2cccc[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O QLYHOWIZHHZGPV-XUTLUUPISA-N 6912334 BRD-K69343602-003-01-3 ML10302 0 94.1 Tocris 3499 ML 10302 hydrochloride 312.124 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 RVFIAQAAZUEPPE-UHFFFAOYSA-N 5311299 BRD-K69343602-003-02-9 ML10302 0 95.38 Tocris 3499 ML 10302 hydrochloride 312.124 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 RVFIAQAAZUEPPE-UHFFFAOYSA-N 5311299 BRD-K89306950-001-13-3 ML130 0 73.97 Tocris 4354 ML 130 287.073 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12 SRFABRWQVPCPRG-UHFFFAOYSA-N 1088438 BRD-K89306950-001-12-5 ML130 0 96.19 Selleck S2863 ML130 (Nodinitib-1) 287.073 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12 SRFABRWQVPCPRG-UHFFFAOYSA-N 1088438 BRD-K89306950-001-14-9 ML130 0 96.9 Tocris 4354 ML 130 287.073 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12 SRFABRWQVPCPRG-UHFFFAOYSA-N 1088438 BRD-K33743361-003-08-9 ML133 0 97.27 Tocris 4549 ML 133 hydrochloride 277.147 COc1ccc(CNCc2cccc3ccccc23)cc1 GIFYKGIODMXYNT-UHFFFAOYSA-N 781301 BRD-K33743361-003-02-6 ML133 0 97.57 Selleck S2825 ML133 HCl 277.147 COc1ccc(CNCc2cccc3ccccc23)cc1 GIFYKGIODMXYNT-UHFFFAOYSA-N 781301 BRD-A28422330-001-10-1 ML141 0 88.19 Tocris 4266 ML 141 407.13 "COc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |&1:8,r,c:11|" QBNZBMVRFYREHK-JOCHJYFZSA-N 7454812 BRD-A28422330-001-11-9 ML141 0 85.73 Tocris 4266 ML 141 407.13 "COc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |&1:8,r,c:11|" QBNZBMVRFYREHK-JOCHJYFZSA-N 7454812 BRD-K59036917-001-17-5 ML161 0 95.17 Tocris 4570 ML 161 360.047 CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 DFOVLSMXPWPCFH-UHFFFAOYSA-N 1048267 BRD-K59036917-001-16-7 ML161 0 98.28 Selleck S2916 ML161 360.047 CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 DFOVLSMXPWPCFH-UHFFFAOYSA-N 1048267 BRD-K64835161-001-02-8 ML167 0 90.04 Selleck S7509 ML167 335.127 Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc(CO)o2)o1 ROCFOIBAEVAOLQ-UHFFFAOYSA-N 44968231 BRD-K77547509-001-04-9 ML179 0 97.61 Tocris 4957 ML 179 422.193 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1 MFABFKUNLDYKGH-UHFFFAOYSA-N 45100448 BRD-K77547509-001-03-3 ML179 0 96.66 Tocris 4957 ML 179 422.193 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1 MFABFKUNLDYKGH-UHFFFAOYSA-N 45100448 BRD-K27539181-001-09-9 ML193 0 97.56 Tocris 4860 ML 193 527.163 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C HTSLEZOTMYUPLU-UHFFFAOYSA-N 1261822 BRD-K27539181-001-08-5 ML193 0 99.09 Tocris 4860 ML 193 527.163 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C HTSLEZOTMYUPLU-UHFFFAOYSA-N 1261822 BRD-K80021413-001-08-8 ML204 0 97.27 MedChemEx HY-12949 ML204 226.147 Cc1cc(nc2ccccc12)N1CCCCC1 USYRQXDHKXGTCK-UHFFFAOYSA-N 230710 BRD-K00004301-001-01-9 ML213 0 95.71 Tocris 4519 ML 213 257.178 "Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 |&1:11,14,&2:9,r|" SIQGKPGBLYKQBB-RRFJBIMHSA-N 1219187 BRD-K92995792-003-03-9 ML218 0 96.35 Tocris 4507 ML 218 hydrochloride 368.142 CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 GSJIGYLGKSBYBC-OSYLJGHBSA-N BRD-K92995792-003-02-9 ML218 0 93.41 Tocris 4507 ML 218 hydrochloride 368.142 CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 GSJIGYLGKSBYBC-OSYLJGHBSA-N BRD-K44432556-001-05-5 ML228 0 97.16 Tocris 4565 ML 228 415.18 C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1ccc(cc1)-c1ccccc1 QNRODODTMXCRKU-UHFFFAOYSA-N 46742353 BRD-K44432556-001-01-4 ML228 0 MLSC/Vanderbilt VU0418946-1 415.18 C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1ccc(cc1)-c1ccccc1 "InChI=1S/C27H21N5/c1-3-9-21(10-4-1)22-16-14-20(15-17-22)19-29-27-25(23-11-5-2-6-12-23)31-32-26(30-27)24-13-7-8-18-28-24/h1-18H,19H2,(H,29,30,32)" 46742353 BRD-K60020910-001-03-9 ML277 0 95.48 Tocris 4777 ML 277 471.129 COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 OXQNLLVUVDAEHC-OAQYLSRUSA-N 53347902 BRD-K60020910-001-02-5 ML277 0 97.08 Tocris 4777 ML 277 471.129 COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 OXQNLLVUVDAEHC-OAQYLSRUSA-N 53347902 BRD-K48188942-001-03-7 ML281 0 98.78 Tocris 4880 ML 281 389.12 CC(C)c1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O HWOYIOLMBQSTQS-UHFFFAOYSA-N 53377448 BRD-K48188942-001-01-1 ML281 0 91.3 Broad Institute bg-stk33-59 389.12 CC(C)c1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O HWOYIOLMBQSTQS-UHFFFAOYSA-N 53377448 BRD-K51137250-001-02-6 ML297 0 72.69 Tocris 5380 ML 297 328.114 Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1 IEKSMUSSYJUQMY-UHFFFAOYSA-N 56642816 BRD-K51137250-001-01-8 ML297 0 Sigma SML0836 ML297 328.114 Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1 "InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)" 56642816 BRD-K24600306-003-02-9 ML298 0 96.73 Tocris 4895 ML 298 hydrochloride 432.177 Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 XAPVAKKLQGLNOY-UHFFFAOYSA-N 53393916 BRD-K24600306-003-01-9 ML298 0 86.04 Tocris 4895 ML 298 hydrochloride 432.177 Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 XAPVAKKLQGLNOY-UHFFFAOYSA-N 53393916 BRD-K92606079-001-02-0 ML314 0 96.62 MedChemEx HY-16639 ML314 420.216 COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 SWEOAXMICIJCQC-UHFFFAOYSA-N 53245590 BRD-K93942811-001-01-3 ML323 0 96.64 MedChemEx HY-17543 ML-323 384.206 CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 VUIRVWPJNKZOSS-UHFFFAOYSA-N 60167849 BRD-K25611237-001-02-1 ML324 0 86.85 MedChemEx HY-12725 ML324 349.179 CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1 QDBVSOZTVKXUES-UHFFFAOYSA-N 44143209 BRD-A29014990-001-03-9 ML3403 0 92.67 Tocris 4586 ML 3403 404.147 "CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)c1 |&1:20,r|" VXPWQNBKEIVYIS-HNNXBMFYSA-N 10938334 BRD-A29014990-001-02-3 ML3403 0 96.63 Tocris 4586 ML 3403 404.147 "CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)c1 |&1:20,r|" VXPWQNBKEIVYIS-HNNXBMFYSA-N 10938334 BRD-K33892651-001-04-9 ML347 0 97.92 Tocris 4945 ML 347 352.132 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 FVRYPYDPKSZGNS-UHFFFAOYSA-N 44577753 BRD-K33892651-001-02-4 ML347 0 99.36 Selleck S7148 ML347 352.132 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 FVRYPYDPKSZGNS-UHFFFAOYSA-N 44577753 BRD-K33892651-001-03-2 ML347 0 99.08 Tocris 4945 ML 347 352.132 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 FVRYPYDPKSZGNS-UHFFFAOYSA-N 44577753 BRD-K81044214-001-06-4 ML348 0 97.3 Tocris 5345 ML 348 415.091 FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1 OXKNHBBDOIMFFQ-UHFFFAOYSA-N 3238952 BRD-K81044214-001-07-9 ML348 0 98.15 Tocris 5345 ML 348 415.091 FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1 OXKNHBBDOIMFFQ-UHFFFAOYSA-N 3238952 BRD-K02160913-001-02-7 ML365 0 98.91 Tocris 5337 ML 365 360.147 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 UTAJHKSGYJSZBR-UHFFFAOYSA-N 46785920 BRD-K02160913-001-03-9 ML365 0 97.75 Tocris 5337 ML 365 360.147 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 UTAJHKSGYJSZBR-UHFFFAOYSA-N 46785920 BRD-K52644305-300-02-9 ML786 0 82.95 Tocris 5036 ML 786 dihydrochloride 538.219 CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 GXEGTVQATHKFDH-OAQYLSRUSA-N 50992247 BRD-K52644305-300-01-3 ML786 0 91.56 Tocris 5036 ML 786 dihydrochloride 538.219 CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 GXEGTVQATHKFDH-OAQYLSRUSA-N 50992247 BRD-K68402494-003-03-5 ML9 0 96.58 Tocris 431 ML 9 hydrochloride 324.07 Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 OZSMSRIUUDGTEP-UHFFFAOYSA-N 4217 BRD-K68402494-003-04-3 ML9 0 98.37 Tocris 431 ML 9 hydrochloride 324.07 Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 OZSMSRIUUDGTEP-UHFFFAOYSA-N 4217 BRD-K59317601-001-05-5 MLN0128 0 97.29 Selleck S2811 INK 128 (MLN0128) 309.134 CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 GYLDXIAOMVERTK-UHFFFAOYSA-N 45375953 BRD-K59317601-001-06-9 MLN0128 0 97.6 MedChemEx HY-13328 Sapanisertib 309.134 CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 GYLDXIAOMVERTK-UHFFFAOYSA-N 45375953 BRD-K73877023-001-01-9 MLN1117 0 97.33 MedChemEx HY-12285 MLN1117 363.133 Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 BLGWHBSBBJNKJO-UHFFFAOYSA-N 70798655 BRD-K43410529-001-02-3 MLN2480 0 94.64 MedChemEx HY-15246 MLN 2480 505.01 C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F VWMJHAFYPMOMGF-ZCFIWIBFSA-N 25161177 BRD-K83963101-001-08-9 MLN8054 0 91.86 MedChemEx HY-10180 MLN8054 476.085 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| HHFBDROWDBDFBR-UHFFFAOYSA-N 11712649 BRD-K83963101-001-06-9 MLN8054 0 93.63 Selleck S1100 MLN8054 476.085 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| HHFBDROWDBDFBR-UHFFFAOYSA-N 11712649 BRD-K15203492-001-01-1 MLN9708 0 17.51 MedChemEx HY-10452 MLN9708 516.087 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(O)=O)(CC(O)=O)O1 MBOMYENWWXQSNW-AWEZNQCLSA-N 56844015 BRD-K15203492-001-02-9 MLN9708 0 0 MedChemEx HY-10452 MLN9708 516.087 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(O)=O)(CC(O)=O)O1 MBOMYENWWXQSNW-AWEZNQCLSA-N 56844015 BRD-K68474068-019-02-9 MM-102 0 96.53 Tocris 5307 MM 102 669.381 CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 RZKSQRIPRKWVBU-MHZLTWQESA-N 54766613 BRD-K68474068-001-01-8 MM-102 0 91.66 Selleck S7265 MM-102 669.381 CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 RZKSQRIPRKWVBU-MHZLTWQESA-N 54766613 BRD-K98353094-001-01-6 MM-11253 0 98.06 Tocris 3822 MM 11253 462.169 CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O DPVGXUNWCVEIGT-UHFFFAOYSA-N 10389639 BRD-K98353094-001-02-9 MM-11253 0 97.04 Tocris 3822 MM 11253 462.169 CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O DPVGXUNWCVEIGT-UHFFFAOYSA-N 10389639 BRD-K00004622-001-01-9 MM-206 0 80.34 Sigma SML1673 "2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-phenylsulfanyl-1-naphthyl)benzenesulfonamide" 497.018 Oc1c(Sc2ccccc2)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc12 ZXJHEANDHXHGMV-UHFFFAOYSA-N 102514675 BRD-K50293352-300-03-9 MM77 0 94.34 Tocris 933 MM 77 dihydrochloride 345.205 COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1 MQHOGPLXAXSQAJ-UHFFFAOYSA-N 3994476 BRD-K50293352-300-02-1 MM77 0 75.74 Tocris 933 MM 77 dihydrochloride 345.205 COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1 MQHOGPLXAXSQAJ-UHFFFAOYSA-N 3994476 BRD-K56077740-001-10-9 MMPX 0 97.72 Tocris 552 MMPX 266.138 COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 NBLBCGUCPBXKOV-UHFFFAOYSA-N 155806 BRD-K56077740-001-09-2 MMPX 0 99.04 Tocris 552 MMPX 266.138 COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 NBLBCGUCPBXKOV-UHFFFAOYSA-N 155806 BRD-K78973789-001-02-9 MMV-390048 0 92.66 AMS L14545 MMV-390048 393.076 CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F RTJQABCNNLMCJF-UHFFFAOYSA-N 53311393 BRD-K16183658-001-02-9 MN-64 0 94.47 Tocris 5084 MN 64 264.115 CC(C)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 PYTOHIUBXSJKQH-UHFFFAOYSA-N 2802462 BRD-K16183658-001-01-4 MN-64 0 96.16 MedChemEx HY-19351 MN-64 264.115 CC(C)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 PYTOHIUBXSJKQH-UHFFFAOYSA-N 2802462 BRD-K63151507-001-02-4 MNITMT 0 98.32 Tocris 2492 MNITMT 240.043 Cn1cnnc1Sc1c(ncn1C)[N+]([O-])=O NMBDIMPYACLUDE-UHFFFAOYSA-N 364622 BRD-K63151507-001-03-9 MNITMT 0 88.88 Tocris 2492 MNITMT 240.043 Cn1cnnc1Sc1c(ncn1C)[N+]([O-])=O NMBDIMPYACLUDE-UHFFFAOYSA-N 364622 BRD-K16485616-001-13-9 mocetinostat 0 95.98 MedChemEx HY-12164 mocetinostat 396.17 Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 HRNLUBSXIHFDHP-UHFFFAOYSA-N 9865515 BRD-K16485616-001-12-1 mocetinostat 0 94.86 Selleck S1122 Mocetinostat (MGCD0103) 396.17 Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 HRNLUBSXIHFDHP-UHFFFAOYSA-N 9865515 BRD-K16485616-001-08-9 mocetinostat 0 96.2 Selleck S1122 Mocetinostat (MGCD0103) 396.17 Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 HRNLUBSXIHFDHP-UHFFFAOYSA-N 9865515 BRD-K07237224-001-22-9 moclobemide 0 88.7 Tocris 4395 Moclobemide 268.098 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 YHXISWVBGDMDLQ-UHFFFAOYSA-N 4235 BRD-K07237224-001-20-4 moclobemide 0 83.57 Tocris 4395 Moclobemide 268.098 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 YHXISWVBGDMDLQ-UHFFFAOYSA-N 4235 BRD-K07237224-001-19-6 moclobemide 0 94.41 Selleck S3212 Moclobemide (Ro 111163) 268.098 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 YHXISWVBGDMDLQ-UHFFFAOYSA-N 4235 BRD-K25317177-065-01-4 modaline 0 98.29 MicroSource 1506123 MODALINE SULFATE 177.127 Cc1nccnc1N1CCCCC1 BJHCGMHPEKLROM-UHFFFAOYSA-N 17860 BRD-K25317177-065-02-9 modaline 0 Broad Institute Modaline sulfate Modaline sulfate 177.127 Cc1nccnc1N1CCCCC1 BJHCGMHPEKLROM-UHFFFAOYSA-N 17860 BRD-K34441861-003-06-2 moexipril 0 73.49 Tocris 2691 Moexipril hydrochloride 498.237 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O UWWDHYUMIORJTA-HSQYWUDLSA-N 91270 BRD-K34441861-003-08-9 moexipril 0 87.56 Tocris 2691 Moexipril hydrochloride 498.237 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O UWWDHYUMIORJTA-HSQYWUDLSA-N 91270 BRD-K34441861-003-05-4 moexipril 0 72.37 Selleck S2079 Moexipril HCl 498.237 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O UWWDHYUMIORJTA-HSQYWUDLSA-N 91270 BRD-K34441861-003-07-0 moexipril 0 93.18 Selleck S2079 Moexipril HCl 498.237 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O UWWDHYUMIORJTA-HSQYWUDLSA-N 91270 BRD-K52598503-003-01-1 mofegiline 0 88.73 MedChemEx HY-16677A Mofegiline (hydrochloride) 197.102 NC\C(CCc1ccc(F)cc1)=C\F VXLBSYHAEKDUSU-JXMROGBWSA-N 6437850 BRD-K52598503-003-02-9 mofegiline 0 86.14 MedChemEx HY-16677A Mofegiline (hydrochloride) 197.102 NC\C(CCc1ccc(F)cc1)=C\F VXLBSYHAEKDUSU-JXMROGBWSA-N 6437850 BRD-K49372556-001-04-1 mofezolac 0 99.58 Sigma MFCD00712149 "[3,4-bis(4-methoxyphenyl)-5-isoxazolyl]acetic acid" 339.111 COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1 DJEIHHYCDCTAAH-UHFFFAOYSA-N 4237 BRD-A87673115-001-04-1 moguisteine 0 97.02 Selleck S3104 Moguisteine 339.114 "CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC |&1:12,r|" WSYVIAQNTFPTBI-OAHLLOKOSA-N 219046 BRD-K01291782-001-02-9 molidustat 0 90.41 MedChemEx HY-12654 Molidustat 314.124 O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1 IJMBOKOTALXLKS-UHFFFAOYSA-N 59603622 BRD-K01291782-001-01-1 molidustat 0 83.4 MedChemEx HY-12654 Molidustat 314.124 O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1 IJMBOKOTALXLKS-UHFFFAOYSA-N 59603622 BRD-A65280694-003-13-7 molindone 0 98.2 MicroSource 1506018 MOLINDONE HYDROCHLORIDE 276.184 CCc1c(C)[nH]c2CC[C@@H](CN3CCOCC3)C(=O)c12 |r| KLPWJLBORRMFGK-LBPRGKRZSA-N 6604347 BRD-A65280694-003-14-9 molindone 0 94.15 MedChemEx HY-B1017 Molindone (hydrochloride) 276.184 CCc1c(C)[nH]c2CC[C@@H](CN3CCOCC3)C(=O)c12 |r| KLPWJLBORRMFGK-LBPRGKRZSA-N 6604347 BRD-K63861289-001-29-9 molsidomine 0 94.11 MedChemEx HY-B1069 Molsidomine 243.109 CCOC(=O)Nc1c[n+](no1)N1CCOCC1 XLFWDASMENKTKL-UHFFFAOYSA-O 4239 BRD-K63861289-001-19-6 molsidomine 0 98.74 MicroSource 1500673 MOLSIDOMINE 243.109 CCOC(=O)Nc1c[n+](no1)N1CCOCC1 XLFWDASMENKTKL-UHFFFAOYSA-O 4239 BRD-K50265942-001-01-2 mometasone 0 0 Sigma MFCD02683426 "(11beta,16alpha)-9,21-dichloro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione" 426.136 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl |c:11,t:7|" QLIIKPVHVRXHRI-CXSFZGCWSA-N 441335 BRD-K60640630-001-11-0 mometasone-furoate 0 94.31 MicroSource 1505367 MOMETASONE FUROATE 520.142 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |c:11,t:7|" WOFMFGQZHJDGCX-ZULDAHANSA-N 441336 BRD-A01139232-001-01-0 BRD-K60640630-001-10-2 mometasone-furoate 0 94.94 Selleck S1987 Mometasone furoate 520.142 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |c:11,t:7|" WOFMFGQZHJDGCX-ZULDAHANSA-N 441336 BRD-K28476963-001-01-8 BRD-K60640630-001-12-9 mometasone-furoate 0 90.13 Tocris 4115 Mometasone furoate 520.142 "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |c:11,t:7|" WOFMFGQZHJDGCX-ZULDAHANSA-N 441336 BRD-A78377521-001-06-3 monastrol 0 97.92 Tocris 1305 Monastrol 292.088 "CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1 |r,c:5|" LOBCDGHHHHGHFA-GFCCVEGCSA-N 794325 BRD-A78377521-001-05-5 monastrol 0 97.94 Tocris 1305 Monastrol 292.088 "CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1 |r,c:5|" LOBCDGHHHHGHFA-GFCCVEGCSA-N 794325 BRD-K55375480-236-04-9 monensin 0 78.9 MedChemEx HY-N0150 Monensin sodium salt 670.429 CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C GAOZTHIDHYLHMS-KEOBGNEYSA-N 441145 BRD-K00004607-001-01-9 monepantel 0 97.55 MedChemEx HY-14774 Monepantel 473.063 C[C@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c1ccc(SC(F)(F)F)cc1)C#N WTERNLDOAPYGJD-SFHVURJKSA-N 44449087 BRD-K54262262-001-10-8 monobenzone 0 0 MicroSource 1503031 MONOBENZONE 200.084 Oc1ccc(OCc2ccccc2)cc1 VYQNWZOUAUKGHI-UHFFFAOYSA-N 7638 BRD-K54262262-001-12-4 monobenzone 0 0 Sigma 1445506 4-(benzyloxy)phenol 200.084 Oc1ccc(OCc2ccccc2)cc1 VYQNWZOUAUKGHI-UHFFFAOYSA-N 7638 BRD-K54262262-001-11-6 monobenzone 0 83.75 Selleck S1652 Monobenzone (Benoquin) 200.084 Oc1ccc(OCc2ccccc2)cc1 VYQNWZOUAUKGHI-UHFFFAOYSA-N 7638 BRD-K54262262-001-09-0 monobenzone 0 77.12 Selleck S1652 Monobenzone 200.084 Oc1ccc(OCc2ccccc2)cc1 VYQNWZOUAUKGHI-UHFFFAOYSA-N 7638 BRD-K65508953-001-13-9 monocrotaline 0 87.05 MedChemEx HY-N0750 Monocrotaline 325.153 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 |t:10| QVCMHGGNRFRMAD-XFGHUUIASA-N 9415 BRD-A48938994-001-15-8 monoctanoin 0 0 Sigma MFCD00056652 "2,3-dihydroxypropyl octanoate" 218.152 "CCCCCCCC(=O)OC[C@@H](O)CO |&1:11,r|" GHBFNMLVSPCDGN-JTQLQIEISA-N 3085369 BRD-A48938994-001-14-1 monoctanoin 0 84.6 Sigma MFCD00056652 "2,3-dihydroxypropyl octanoate" 218.152 "CCCCCCCC(=O)OC[C@@H](O)CO |&1:11,r|" GHBFNMLVSPCDGN-JTQLQIEISA-N 3085369 BRD-K00004695-001-01-9 monomethyl-fumarate 0 97.69 CombiBlocks OR-0777 Monomethyl fumarate 130.027 COC(=O)\C=C\C(O)=O NKHAVTQWNUWKEO-NSCUHMNNSA-N 5369209 BRD-K79926543-001-07-6 monosodium-alpha-luminol 0 97.04 MedChemEx HY-15922 Luminol 177.054 Nc1cccc2c1c(=O)[nH][nH]c2=O HWYHZTIRURJOHG-UHFFFAOYSA-N 10638 BRD-K79926543-001-08-4 monosodium-alpha-luminol 0 96.01 Enamine Z56813244 177.054 Nc1cccc2c1c(=O)[nH][nH]c2=O HWYHZTIRURJOHG-UHFFFAOYSA-N 10638 BRD-K79926543-001-09-9 monosodium-alpha-luminol 0 96.02 MedChemEx HY-15922 Luminol 177.054 Nc1cccc2c1c(=O)[nH][nH]c2=O HWYHZTIRURJOHG-UHFFFAOYSA-N 10638 BRD-A31454688-001-01-6 monostearin 0 92.85 TCI G0085 358.308 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO |&1:21,r|" VBICKXHEKHSIBG-FQEVSTJZSA-N 15560610 BRD-K69470111-236-10-9 montelukast 0 97.51 Tocris 5904 Montelukast sodium 585.21 CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 UCHDWCPVSPXUMX-TZIWLTJVSA-N 5281040 BRD-K69470111-001-01-2 montelukast 0 93.75 MicroSource 1505391 MONTELUKAST SODIUM 585.21 CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 UCHDWCPVSPXUMX-TZIWLTJVSA-N 5281040 BRD-K69470111-236-08-9 montelukast 0 81.19 Selleck S4211 Montelukast Sodium 585.21 CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 UCHDWCPVSPXUMX-TZIWLTJVSA-N 5281040 BRD-K69470111-236-09-7 montelukast 0 98.68 Selleck S4211 Montelukast Sodium 585.21 CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 UCHDWCPVSPXUMX-TZIWLTJVSA-N 5281040 BRD-A51747092-003-03-0 moprolol 0 95.27 LifeChem F3314-0163 239.152 COc1ccccc1OC[C@@H](O)CNC(C)C |&1:10| LFTFGCDECFPSQD-NSHDSACASA-N 3034006 BRD-K21548250-003-20-9 moracizine 0 97.36 Vitas-M STK370502 ethyl 10-[3-(4-morpholinyl)propanoyl]-10H-phenothiazin-2-ylcarbamate 427.157 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1 FUBVWMNBEHXPSU-UHFFFAOYSA-N 34633 BRD-K21548250-003-19-1 moracizine 0 99.39 Prestwick Prestw-1051 Moricizine hydrochloride 427.157 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1 FUBVWMNBEHXPSU-UHFFFAOYSA-N 34633 BRD-K71454870-048-06-3 morantel 0 55.48 MicroSource 1503931 MORANTEL CITRATE 220.103 CN1CCCN=C1\C=C\c1sccc1C |c:5| NVEPPWDVLBMNMB-SNAWJCMRSA-N 5353792 BRD-K71454870-046-01-8 morantel 0 94.05 Selleck S5747 Morantel tartrate 220.103 CN1CCCN=C1\C=C\c1sccc1C |c:5| NVEPPWDVLBMNMB-SNAWJCMRSA-N 5353792 BRD-K11590034-002-02-6 morin 0 55.63 Selleck S2325 Morin Hydrate 302.043 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O YXOLAZRVSSWPPT-UHFFFAOYSA-N 5281670 BRD-K11590034-002-03-4 morin 0 100 Selleck S2325 Morin hydrate (Aurantica) 302.043 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O YXOLAZRVSSWPPT-UHFFFAOYSA-N 5281670 BRD-K11590034-002-04-2 morin 0 88.07 Selleck S2325 Morin hydrate 302.043 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O YXOLAZRVSSWPPT-UHFFFAOYSA-N 5281670 BRD-A40546373-001-01-8 morinidazole 0 85.47 MedChemEx HY-15781 Morinidazole 270.133 "Cc1ncc(n1C[C@@H](O)CN1CCOCC1)[N+]([O-])=O |&1:7,r|" GAZGHCHCYRSPIV-JTQLQIEISA-N 102486242 BRD-K38938675-001-01-4 morniflumate 0 97.89 AKSci O651 395.146 FC(F)(F)c1cccc(Nc2ncccc2C(=O)OCCN2CCOCC2)c1 LDXSPUSKBDTEKA-UHFFFAOYSA-N 72106 BRD-K88786763-003-03-9 moroxydine 0 86.9 MedChemEx HY-B0420A Moroxydine (hydrochloride) 171.112 NC(=N)\N=C(/N)N1CCOCC1 KJHOZAZQWVKILO-UHFFFAOYSA-N 71655 BRD-K00003491-001-01-9 morphothiadin 0 94.57 MedChemEx HY-108917 Morphothiadin 508.058 "CCOC(=O)C1=C(CN2CCOCC2)NC(=N[C@@H]1c1ccc(F)cc1Br)c1nccs1 |&1:17,r,c:5,16|" SQGRDKSRFFUBBU-GOSISDBHSA-N 129387808 BRD-A39052811-048-12-8 mosapride 0 97.15 Tocris 2844 Mosapride citrate 421.157 CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 |&1:15| YPELFRMCRYSPKZ-INIZCTEOSA-N 9979608 BRD-A39052811-048-11-0 mosapride 0 98.7 Selleck S1385 Mosapride Citrate 421.157 CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 |&1:15| YPELFRMCRYSPKZ-INIZCTEOSA-N 9979608 BRD-K00004657-001-01-9 motapizone 0 93.45 Enamine Z1691545087 "6-[4-(1H-imidazol-1-yl)-2-thienyl]-5-methyl-4,5-dihydro-3(2H)-pyridazinone" 260.073 CC1=C(NNC(=O)C1)c1cc(cs1)-n1ccnc1 |t:1| IQHAKYLSMONFMT-UHFFFAOYSA-N BRD-K99616396-001-06-9 motesanib 0 95.52 MedChemEx HY-10228 Motesanib 373.19 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 RAHBGWKEPAQNFF-UHFFFAOYSA-N 11667893 BRD-K99616396-001-05-1 motesanib 0 92.99 MedChemEx HY-10228 Motesanib 373.19 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 RAHBGWKEPAQNFF-UHFFFAOYSA-N 11667893 BRD-K99616396-316-04-6 motesanib 0 64.3 Selleck S1032 Motesanib Diphosphate (AMG-706) 373.19 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 RAHBGWKEPAQNFF-UHFFFAOYSA-N 11667893 BRD-K99616396-316-06-1 motesanib 0 71.82 MedChemEx HY-10229 Motesanib (Diphosphate) 373.19 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 RAHBGWKEPAQNFF-UHFFFAOYSA-N 11667893 BRD-K99616396-316-05-3 motesanib 0 81.46 Selleck S1032 Motesanib Diphosphate 373.19 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 RAHBGWKEPAQNFF-UHFFFAOYSA-N 11667893 BRD-K11785681-001-01-2 motolimod 0 87.75 MedChemEx HY-13773 Motolimod 458.268 "CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(cc1)C(=O)N1CCCC1 |t:9,18|" QSPOQCXMGPDIHI-UHFFFAOYSA-N 16049404 BRD-A08899266-001-06-9 moxalactam 0 0 Sigma 43963 Moxalactam Supplement 520.101 "CO[C@]1(NC(=O)[C@@H](C(O)=O)c2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |a:2,17,&1:6,c:30|" JWCSIUVGFCSJCK-UOXRKKOCSA-N 157009 BRD-A08899266-304-05-0 moxalactam 0 0 MicroSource 1500418 MOXALACTAM DISODIUM 520.101 "CO[C@]1(NC(=O)[C@@H](C(O)=O)c2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |a:2,17,&1:6,c:30|" JWCSIUVGFCSJCK-UOXRKKOCSA-N 157009 BRD-K12742203-003-01-7 moxaverine 0 99.2 Innovapharm BBS-00028240 "1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline hydrochloride" 307.157 CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1 MYCMTMIGRXJNSO-UHFFFAOYSA-N 70882 BRD-K00003660-001-01-9 moxidectin 0 89.94 MedChemEx HY-B0777 Moxidectin 639.377 "[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:4,t:6,12,45|" YZBLFMPOMVTDJY-LSGXYNIPSA-N 9832912 BRD-K66615216-003-14-8 moxifloxacin 0 94.14 MicroSource 1504303 MOXIFLOXACIN HYDROCHLORIDE 401.175 COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 FABPRXSRWADJSP-MEDUHNTESA-N 40467042 BRD-K66615216-003-13-0 moxifloxacin 0 92.35 Selleck S1465 Moxifloxacin HCl 401.175 COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 FABPRXSRWADJSP-MEDUHNTESA-N 40467042 BRD-K81144366-003-20-9 moxisylyte 0 94.89 MedChemEx HY-B1435 Moxisylyte (hydrochloride) 279.183 CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C VRYMTAVOXVTQEF-UHFFFAOYSA-N 4260 BRD-K81144366-003-19-7 moxisylyte 0 95.95 MicroSource 1506079 MOXISYLYTE HYDROCHLORIDE 279.183 CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C VRYMTAVOXVTQEF-UHFFFAOYSA-N 4260 BRD-K77771411-003-12-3 moxonidine 0 92.08 Tocris 2282 Moxonidine hydrochloride 241.073 COc1nc(C)nc(Cl)c1NC1=NCCN1 |t:12| WPNJAUFVNXKLIM-UHFFFAOYSA-N 4810 BRD-K77771411-003-10-7 moxonidine 0 96.96 Tocris 2282 Moxonidine hydrochloride 241.073 COc1nc(C)nc(Cl)c1NC1=NCCN1 |t:12| WPNJAUFVNXKLIM-UHFFFAOYSA-N 4810 BRD-K77771411-001-12-7 moxonidine 0 96.81 Selleck S2066 Moxonidine 241.073 COc1nc(C)nc(Cl)c1NC1=NCCN1 |t:12| WPNJAUFVNXKLIM-UHFFFAOYSA-N 4810 BRD-K77771411-003-13-9 moxonidine 0 79.7 Tocris 2282 Moxonidine hydrochloride 241.073 COc1nc(C)nc(Cl)c1NC1=NCCN1 |t:12| WPNJAUFVNXKLIM-UHFFFAOYSA-N 4810 BRD-A31095847-001-03-9 mozavaptan 0 95.18 MedChemEx HY-18346 Mozavaptan 427.226 "CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 |&1:3,r|" WRNXUQJJCIZICJ-DEOSSOPVSA-N 11441742 BRD-A31095847-001-02-3 mozavaptan 0 97.07 Selleck S2920 Mozavaptan 427.226 "CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 |&1:3,r|" WRNXUQJJCIZICJ-DEOSSOPVSA-N 11441742 BRD-K60690191-003-11-2 MPEP 0 81.5 Tocris 1212 MPEP hydrochloride 193.089 Cc1cccc(n1)C#Cc1ccccc1 NEWKHUASLBMWRE-UHFFFAOYSA-N 3025961 BRD-K60690191-001-03-3 MPEP 0 97.59 Selleck S2809 MPEP 193.089 Cc1cccc(n1)C#Cc1ccccc1 NEWKHUASLBMWRE-UHFFFAOYSA-N 3025961 BRD-K60690191-003-09-6 MPEP 0 95.13 Tocris 1212 MPEP hydrochloride 193.089 Cc1cccc(n1)C#Cc1ccccc1 NEWKHUASLBMWRE-UHFFFAOYSA-N 3025961 BRD-K45551181-001-03-9 MPI-0479605 0 90.62 MedChemEx HY-12660 MPI-0479605 407.243 Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 OVJBNYKNHXJGSA-UHFFFAOYSA-N 46909588 BRD-K45551181-001-01-3 MPI-0479605 0 51.57 Selleck S7488 MPI-0479605 407.243 Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 OVJBNYKNHXJGSA-UHFFFAOYSA-N 46909588 BRD-K45551181-001-04-7 MPI-0479605 0 94.28 MedChemEx HY-12660 MPI-0479605 407.243 Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 OVJBNYKNHXJGSA-UHFFFAOYSA-N 46909588 BRD-K45551181-001-02-1 MPI-0479605 0 93.11 Selleck S7488 MPI-0479605 407.243 Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 OVJBNYKNHXJGSA-UHFFFAOYSA-N 46909588 BRD-K18530250-001-01-6 Mps-BAY-2a 0 94.23 Tocris 5562 Mps BAY 2a 476.232 CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12 MDYKTGNHXNTATG-UHFFFAOYSA-N 57381882 BRD-K18530250-001-02-9 Mps-BAY-2a 0 97.37 Tocris 5562 Mps BAY 2a 476.232 CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12 MDYKTGNHXNTATG-UHFFFAOYSA-N 57381882 BRD-K94853001-300-04-9 Mps1-IN-1 0 95.35 Tocris 5142 Mps1-IN-1 dihydrochloride 535.225 COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1 NMJMRSQTDLRCRQ-UHFFFAOYSA-N 25195352 BRD-K94853001-300-01-7 Mps1-IN-1 0 85.19 Tocris 5142 Mps1-IN-1 dihydrochloride 535.225 COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1 NMJMRSQTDLRCRQ-UHFFFAOYSA-N 25195352 BRD-K43812936-001-01-9 Mps1-IN-5 0 94.51 MedChemEx HY-12858 Mps1-IN-5 559.169 COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O NRJKIOCCERLIDG-GOSISDBHSA-N 71599640 BRD-K43812936-001-02-9 Mps1-IN-5 0 89.94 MedChemEx HY-12858 Empesertib 559.169 COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O NRJKIOCCERLIDG-GOSISDBHSA-N 71599640 BRD-A30590053-003-03-9 MR-16728 0 90.64 Tocris 537 MR 16728 hydrochloride 356.283 O=C(NCCCN1CCCCCC1)[C@@H](C1CCCCC1)c1ccccc1 |&1:13| AGKAAJMNNVUNDK-JOCHJYFZSA-N 92211530 BRD-A30590053-003-02-9 MR-16728 0 93.83 Tocris 537 MR 16728 hydrochloride 356.283 O=C(NCCCN1CCCCCC1)[C@@H](C1CCCCC1)c1ccccc1 |&1:13| AGKAAJMNNVUNDK-JOCHJYFZSA-N 92211530 BRD-K84883208-001-01-1 MR-948 0 98.9 Enamine Z1578869664 2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)ethan-1-ol 232.121 OCCc1ccc(OCCn2ccnc2)cc1 LQQIZTXSZOYPPS-UHFFFAOYSA-N 10443938 BRD-K44022883-001-01-7 MRK-016 0 98.16 Tocris 3817 "3-tert-butyl-7-(5-methyl-3-isoxazolyl)-2-[(1-methyl-1H-1,2,4-triazol-5-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine" 368.171 Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C QYSYOGCIDRANAR-UHFFFAOYSA-N 6918583 BRD-K44022883-001-02-5 MRK-016 0 82.88 Tocris 3817 MRK 016 368.171 Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C QYSYOGCIDRANAR-UHFFFAOYSA-N 6918583 BRD-K57416838-001-02-9 MRK-409 0 94.46 Tocris 4415 MK 0343 397.146 Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F GOIFCXRIFSYPFG-UHFFFAOYSA-N 22609888 BRD-K57416838-001-01-1 MRK-409 0 99.45 Sigma SML0565 "7-cyclobutyl-3-(2,6-difluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl (1-methyl-1H-1,2,4-triazol-5-yl)methyl ether" 397.146 Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F GOIFCXRIFSYPFG-UHFFFAOYSA-N 22609888 BRD-K68795758-001-01-1 MRK-560 0 90.05 Tocris 4000 MRK 560 517.021 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r| WDZVWDXOIGQJIO-UJKQEGAGSA-N BRD-K68795758-001-02-9 MRK-560 0 94.77 Tocris 4000 MRK 560 517.021 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r| WDZVWDXOIGQJIO-UJKQEGAGSA-N BRD-K37618799-001-04-8 MRS-1220 0 92.13 Tocris 1217 MRS 1220 403.084 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 TWWFAXQOKNBUCR-UHFFFAOYSA-N 393595 BRD-K37618799-001-08-9 MRS-1220 0 Tocris 1217 MRS 1220 403.084 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 TWWFAXQOKNBUCR-UHFFFAOYSA-N 393595 BRD-K37618799-001-03-0 MRS-1220 0 92.13 Tocris 1217 MRS 1220 403.084 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 TWWFAXQOKNBUCR-UHFFFAOYSA-N 393595 BRD-A06784547-001-03-9 MRS-1334 0 96.08 Tocris 1385 MRS 1334 522.179 "CCOC(=O)C1=C(C)NC(=C([C@@H]1C#Cc1ccccc1)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |&1:11,r,c:5,9|" QFLOJAMZLQXHFS-AREMUKBSSA-N 6604859 BRD-A06784547-001-02-6 MRS-1334 0 83.79 Tocris 1385 MRS 1334 522.179 "CCOC(=O)C1=C(C)NC(=C([C@@H]1C#Cc1ccccc1)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |&1:11,r,c:5,9|" QFLOJAMZLQXHFS-AREMUKBSSA-N 6604859 BRD-A78093359-001-07-9 MRS-1845 0 95.8 Tocris 1866 MRS 1845 398.148 "CCOC(=O)C1=C(C)N(CC#C)C(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |&1:15,r,c:5,13|" BITHABUTZRAUGT-IBGZPJMESA-N 92220886 BRD-A78093359-001-06-3 MRS-1845 0 95.21 Tocris 1866 MRS 1845 398.148 "CCOC(=O)C1=C(C)N(CC#C)C(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |&1:15,r,c:5,13|" BITHABUTZRAUGT-IBGZPJMESA-N 92220886 BRD-K91135178-001-04-9 MRS-2578 0 27.78 Tocris 2146 MRS 2578 472.063 S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1 QOHNRGHTJPFMSL-UHFFFAOYSA-N 16078986 BRD-K91135178-001-03-9 MRS-2578 0 21.98 Selleck S2855 MRS 2578 472.063 S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1 QOHNRGHTJPFMSL-UHFFFAOYSA-N 16078986 BRD-K91135178-001-02-1 MRS-2578 0 0 Selleck S2855 MRS 2578 472.063 S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1 QOHNRGHTJPFMSL-UHFFFAOYSA-N 16078986 BRD-K10575656-034-03-9 MRS-3777 0 96.4 Tocris 2403 MRS 3777 hemioxalate 309.159 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12.C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 ZYVKEIQGOGHCFB-UHFFFAOYSA-N BRD-K10575656-034-04-9 MRS-3777 0 97.69 SantaCruz sc-204105 MRS 3777 hemioxalate 309.159 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12.C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 ZYVKEIQGOGHCFB-UHFFFAOYSA-N BRD-K10575656-034-01-0 MRS-3777 0 97.24 Tocris 2403 MRS 3777 hemioxalate 309.159 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 OGCQBCHLFMBCCE-UHFFFAOYSA-N 11771279 BRD-M86143595-034-02-6|BRD-M86143595-034-02-6 BRD-K10575656-034-02-9 MRS-3777 0 97.27 Tocris 2403 MRS 3777 hemioxalate 309.159 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 OGCQBCHLFMBCCE-UHFFFAOYSA-N 11771279 BRD-K00003417-001-01-9 MRX-2843 0 92.39 MedChemEx HY-101549 MRX-2843 488.326 CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |r| LBEJYFVJIPQSNX-SOAUALDESA-N BRD-K00004683-001-01-9 MS-424 0 92.08 Astatech 52852 "(R)-(5-METHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)(PYRIDIN-3-YL)METHANONE" 189.09 C[C@@H]1C=CNN1C(=O)c1cccnc1 |c:2| AEHLCVKEOAFFJC-MRVPVSSYSA-N BRD-K00003381-001-01-9 MSDC-0160 0 98.66 MedChemEx HY-100550 MSDC 0160 370.099 "CCc1ccc(nc1)C(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 |&1:17,r|" IRNJSRAGRIZIHD-KRWDZBQOSA-N 36687794 BRD-K00004703-001-01-9 MSDC-0602K 0 91.85 AMS P51721 MSDC 0602 371.083 COc1cccc(c1)C(=O)COc1ccc(Cc2sc(O)nc2O)cc1 JIJXYXYLGRAIGV-UHFFFAOYSA-N 90835967 BRD-K25143390-001-01-0 MSX-122 0 93.92 MedChemEx HY-13696 MSX-122 292.144 C(Nc1ncccn1)c1ccc(CNc2ncccn2)cc1 PXZXYRKDDXKDTK-UHFFFAOYSA-N 11687907 BRD-A28329383-001-03-9 MTPG 0 100 Tocris 855 MTPG 233.091 C[C@@](N)(C(O)=O)c1ccc(cc1)-c1nn[nH]n1 |&1:1| OZBFBAYESADVDX-JTQLQIEISA-N 10752093 BRD-A28329383-001-02-1 MTPG 0 93.8 Tocris 855 233.091 C[C@@](N)(C(O)=O)c1ccc(cc1)-c1nn[nH]n1 |&1:1| OZBFBAYESADVDX-JTQLQIEISA-N 10752093 BRD-K19061412-001-03-2 mubritinib 0 96.3 Tocris 3599 TAK 165 468.177 FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 ZTFBIUXIQYRUNT-MDWZMJQESA-N 6444692 BRD-K19061412-001-04-0 mubritinib 0 87.21 Tocris 3599 TAK 165 468.177 FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 ZTFBIUXIQYRUNT-MDWZMJQESA-N 6444692 BRD-K19061412-001-06-9 mubritinib 0 96.53 Tocris 3599 TAK 165 468.177 FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 ZTFBIUXIQYRUNT-MDWZMJQESA-N 6444692 BRD-K19061412-001-02-4 mubritinib 0 96.61 Selleck S2216 Mubritinib (TAK 165) 468.177 FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 ZTFBIUXIQYRUNT-MDWZMJQESA-N 6444692 BRD-K15262564-001-14-3 mupirocin 0 60.91 MicroSource 1505706 MUPIROCIN 500.299 C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O MINDHVHHQZYEEK-HBBNESRFSA-N 446596 BRD-K15262564-001-16-8 mupirocin 0 63.03 Selleck S4297 Mupirocin 500.299 C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O MINDHVHHQZYEEK-HBBNESRFSA-N 446596 BRD-K25394084-001-01-0 BRD-K15262564-001-15-0 mupirocin 0 93.41 MedChemEx HY-B0958 Mupirocin 500.299 C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O MINDHVHHQZYEEK-HBBNESRFSA-N 446596 BRD-K60441002-001-04-8 muscimol 0 97.75 Tocris 289 Muscimol 114.043 NCc1cc(=O)[nH]o1 ZJQHPWUVQPJPQT-UHFFFAOYSA-N 4266 BRD-K60441002-001-06-9 muscimol 0 100 Tocris 289 Muscimol 114.043 NCc1cc(=O)[nH]o1 ZJQHPWUVQPJPQT-UHFFFAOYSA-N 4266 BRD-K72078047-001-01-7 MUT056399 0 93.76 MedChemEx HY-18169 MUT056399 293.086 CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F QUHARGDBJJUOEB-UHFFFAOYSA-N 44208849 BRD-K90524085-001-08-6 MY-5445 0 99.38 Tocris 432 MY-5445 331.088 Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 CEHQLKSLMFIHBF-UHFFFAOYSA-N 1348 BRD-K90524085-001-09-9 MY-5445 0 97.95 Tocris 432 MY-5445 331.088 Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 CEHQLKSLMFIHBF-UHFFFAOYSA-N 1348 BRD-K90524085-001-07-8 MY-5445 0 97.93 Tocris 432 MY-5445 331.088 Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 CEHQLKSLMFIHBF-UHFFFAOYSA-N 1348 BRD-K92428153-001-07-7 mycophenolate-mofetil 0 93.37 Tocris 4102 Mycophenolate mofetil 433.21 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1 RTGDFNSFWBGLEC-SYZQJQIISA-N 5281078 BRD-K92428153-001-05-1 mycophenolate-mofetil 0 91.84 MicroSource 1504567 MYCOPHENOLATE MOFETIL 433.21 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1 RTGDFNSFWBGLEC-SYZQJQIISA-N 5281078 BRD-K92428153-001-04-4 mycophenolate-mofetil 0 95.21 Selleck S1501 Mycophenolate Mofetil 433.21 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1 RTGDFNSFWBGLEC-SYZQJQIISA-N 5281078 BRD-K92428153-001-08-9 mycophenolate-mofetil 0 94.04 Tocris 4102 Mycophenolate mofetil 433.21 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1 RTGDFNSFWBGLEC-SYZQJQIISA-N 5281078 BRD-K63750851-001-22-3 mycophenolic-acid 0 95.86 Tocris 1505 Mycophenolic acid 320.126 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O HPNSFSBZBAHARI-RUDMXATFSA-N 446541 BRD-K63750851-001-20-7 mycophenolic-acid 0 98.39 MicroSource 1500674 MYCOPHENOLIC ACID 320.126 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O HPNSFSBZBAHARI-RUDMXATFSA-N 446541 BRD-K63750851-001-18-1 mycophenolic-acid 0 96.3 Selleck S2487 Mycophenolic acid 320.126 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O HPNSFSBZBAHARI-RUDMXATFSA-N 446541 BRD-K63750851-001-19-9 mycophenolic-acid 0 93.47 Tocris 1505 Mycophenolic acid 320.126 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O HPNSFSBZBAHARI-RUDMXATFSA-N 446541 BRD-K43149758-001-22-7 myricetin 0 85.14 Selleck S2326 Myricetin 318.038 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O IKMDFBPHZNJCSN-UHFFFAOYSA-N 5281672 BRD-K43149758-001-23-5 myricetin 0 94.44 Selleck S2326 Myricetin (Cannabiscetin) 318.038 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O IKMDFBPHZNJCSN-UHFFFAOYSA-N 5281672 BRD-K48388905-001-12-9 myricitrin 0 96.98 Selleck S2327 Myricitrin 464.095 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O DCYOADKBABEMIQ-OWMUPTOHSA-N 5281673 BRD-K88153212-001-01-9 myristyl-nicotinate 0 0 Accela SY025969 tetradecyl nicotinate 319.251 CCCCCCCCCCCCCCOC(=O)c1cccnc1 TVGLGJWCZSCAEM-UHFFFAOYSA-N 531641 BRD-K57027742-001-01-1 N-(2-chlorophenyl)-2-({(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazino}carbothioyl)hydrazinecarbothioamide 0 20.21 Key MS-0738 N-(2-chlorophenyl)-2-({(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazino}carbothioyl)hydrazinecarbothioamide 378.049 CC(=NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1 YYLKOELWSMRYHV-UHFFFAOYSA-N 3006985 BRD-K77817104-001-02-9 N-(p-amylcinnamoyl)-anthranilic-acid 0 93.29 MedChemEx HY-118628 N-(p-amylcinnamoyl) Anthranilic Acid 337.168 CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 GAMRBCZMOOMBSQ-CCEZHUSRSA-N 5353376 BRD-K78844995-001-03-9 N-[2-(piperidinylamino)ethyl]-4-iodobenzamide 0 95.66 Tocris 763 N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide 358.054 Ic1ccc(cc1)C(=O)NCCN1CCCCC1 WCMWVYQHPUQKHW-UHFFFAOYSA-N 127898 BRD-K78844995-001-02-6 N-[2-(piperidinylamino)ethyl]-4-iodobenzamide 0 98.14 Tocris 763 N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide 358.054 Ic1ccc(cc1)C(=O)NCCN1CCCCC1 WCMWVYQHPUQKHW-UHFFFAOYSA-N 127898 BRD-K80653534-001-02-9 N-acetyl-D-glucosamine 0 99.1 MedChemEx HY-A0132 N-Acetyl-D-glucosamine 221.09 CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO MBLBDJOUHNCFQT-LXGUWJNJSA-N 1738118 BRD-K80653534-001-01-7 N-acetyl-D-glucosamine 0 100 Vitas-M STK801800 221.09 CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO MBLBDJOUHNCFQT-LXGUWJNJSA-N 1738118 BRD-A24857382-001-03-4 N-acetyl-tyrosine 0 96.39 Enamine Z239130480 223.084 "CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |&1:4,r|" CAHKINHBCWCHCF-JTQLQIEISA-N 68310 BRD-K52523550-001-01-5 N-acetylcarnosine 0 100 AKSci R096 268.117 CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O BKAYIFDRRZZKNF-VIFPVBQESA-N 9903482 BRD-K28121004-001-02-9 N-acetylglycyl-D-glutamic-acid 0 100 Tocris 395 (2R)-2-{[(acetylamino)acetyl]amino}pentanedioic acid 246.085 CC(=O)NCC(=O)N[C@H](CCC(O)=O)C(O)=O CQTYJLQESPLSOP-ZCFIWIBFSA-N 6604718 BRD-K28121004-001-01-1 N-acetylglycyl-D-glutamic-acid 0 76.01 Tocris 395 N-Acetylglycyl-D-glutamic acid 246.085 CC(=O)NCC(=O)N[C@H](CCC(O)=O)C(O)=O CQTYJLQESPLSOP-ZCFIWIBFSA-N 6604718 BRD-A92872453-001-01-8 N-acetylmannosamine 0 100 Vitas-M STK801944 221.09 "CC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O |a:5,11,13,&1:4,&2:8|" OVRNDRQMDRJTHS-SHGPDSBTSA-N 11869379 BRD-K73700643-001-13-8 N-acetyltryptamine 0 98.63 Tocris 357 N-Acetyltryptamine 202.111 CC(=O)NCCc1c[nH]c2ccccc12 NVUGEQAEQJTCIX-UHFFFAOYSA-N 70547 BRD-K73700643-001-11-2 N-acetyltryptamine 0 95.42 Tocris 357 N-Acetyltryptamine 202.111 CC(=O)NCCc1c[nH]c2ccccc12 NVUGEQAEQJTCIX-UHFFFAOYSA-N 70547 BRD-K73700643-001-14-9 N-acetyltryptamine 0 93.44 Tocris 357 N-Acetyltryptamine 202.111 CC(=O)NCCc1c[nH]c2ccccc12 NVUGEQAEQJTCIX-UHFFFAOYSA-N 70547 BRD-K75390981-300-04-9 N-alpha-methylhistamine-dihydrochloride 0 100 Tocris 573 N?-Methylhistamine dihydrochloride 125.095 CNCCc1cnc[nH]1 PHSPJQZRQAJPPF-UHFFFAOYSA-N 912 BRD-K00004214-003-01-9 N-benzylnaltrindole 0 98.7 Tocris 754 N-Benzylnaltrindole hydrochloride 504.241 "Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1 |TLB:21:22:7.12.13:4.5.18,23:22:7.12.13:4.5.18|" PSPANKCQVWSVHM-OUDZLNJNSA-N 10006324 BRD-K64191834-001-03-1 N-cyclohexyl-2-benzothiazolesulfenamide 0 98.95 AKSci P933 "CBS, N-Cyclohexyl-2-benzothiazolesulfenamide" 264.075 C1CCC(CC1)NSc1nc2ccccc2s1 DEQZTKGFXNUBJL-UHFFFAOYSA-N 7232 BRD-K28030264-001-02-7 N-hydroxynicotinamide 0 96.8 Sigma MFCD00033801 N-hydroxynicotinamide 138.043 ONC(=O)c1cccnc1 IYCHDNQCHLMLJZ-UHFFFAOYSA-N 71211 BRD-K82236108-001-06-9 "N-methyl-(-)ephedrine-[1R,2S]" 0 Sigma 235210-5G "( 1R,2S)-(-)-N-Methylephedrine" 179.131 C[C@@H]([C@H](O)c1ccccc1)N(C)C FMCGSUUBYTWNDP-ONGXEEELSA-N 64782 BRD-K82236108-001-05-9 "N-methyl-(-)ephedrine-[1R,2S]" 0 84.7 Sigma 235210-5G "( 1R,2S)-(-)-N-Methylephedrine" 179.131 C[C@@H]([C@H](O)c1ccccc1)N(C)C FMCGSUUBYTWNDP-ONGXEEELSA-N 64782 BRD-K82236108-001-04-9 "N-methyl-(-)ephedrine-[1R,2S]" 0 82.42 MicroSource 2300220 "N-METHYL (-)EPHEDRINE [1R,2S]" 179.131 C[C@@H]([C@H](O)c1ccccc1)N(C)C FMCGSUUBYTWNDP-ONGXEEELSA-N 64782 BRD-K33445938-001-01-8 N-methylformamide 1 0 Sigma M46705 methylformamide 59.037 CNC=O ATHHXGZTWNVVOU-UHFFFAOYSA-N 31254 BRD-K60060639-005-02-2 N-methyllidocaine-iodide 0 98.14 Tocris 1042 N-Methyllidocaine iodide 249.197 CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C HFRFLLYLVAKRMZ-UHFFFAOYSA-O 168868 BRD-K52732207-001-01-9 N-methylpyrrolidone 0 0 Sigma V001494 1-methyl-2-pyrrolidinone 99.068 CN1CCCC1=O SECXISVLQFMRJM-UHFFFAOYSA-N 13387 BRD-K62056274-332-02-9 N-methylquipazine 0 97.37 Tocris 566 N-Methylquipazine dimaleate 227.142 CN1CCN(CC1)c1ccc2ccccc2n1 HOMWNUXPSJQSSU-UHFFFAOYSA-N 5013 BRD-K62056274-332-01-8 N-methylquipazine 0 98.26 Tocris 566 N-Methylquipazine dimaleate 227.142 CN1CCN(CC1)c1ccc2ccccc2n1 HOMWNUXPSJQSSU-UHFFFAOYSA-N 5013 BRD-K93806173-003-01-8 N-MPPP 0 97.35 Tocris 783 N-MPPP Hydrochloride 322.205 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1 OVZWUDZIAAHNFG-HXUWFJFHSA-N 190901 BRD-K97360717-001-10-9 N-oxydiethylenebenzothiazole-2-sulfenamide 0 0 Sigma MFCD00022870 2-(MORPHOLINOTHIO)-BENZOTHIAZOLE 252.039 C1CN(CCO1)Sc1nc2ccccc2s1 MHKLKWCYGIBEQF-UHFFFAOYSA-N 7619 BRD-K97360717-001-09-2 N-oxydiethylenebenzothiazole-2-sulfenamide 0 3.71 Enamine Z56821717 252.039 C1CN(CCO1)Sc1nc2ccccc2s1 MHKLKWCYGIBEQF-UHFFFAOYSA-N 7619 BRD-K39693230-001-01-2 N-salicoylaminophenol 0 99.07 CombiBlocks QA-6673 229.074 Oc1ccc(NC(=O)c2ccccc2O)cc1 LGCMKPRGGJRYGM-UHFFFAOYSA-N 4602 BRD-K41143549-003-02-4 N20C 0 95.35 Tocris 2213 N20C hydrochloride 268.158 NC(=O)CNCCC(c1ccccc1)c1ccccc1 BYGXICRJQZKUPA-UHFFFAOYSA-N 6603827 BRD-K41143549-003-06-9 N20C 0 86.26 Tocris 2213 N20C hydrochloride 268.158 NC(=O)CNCCC(c1ccccc1)c1ccccc1 BYGXICRJQZKUPA-UHFFFAOYSA-N 6603827 BRD-K60150510-001-16-9 N6-cyclopentyladenosine 0 96.85 Tocris 1702 N6-Cyclopentyladenosine 335.159 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 SQMWSBKSHWARHU-SDBHATRESA-N 657378 BRD-K60150510-001-15-6 N6-cyclopentyladenosine 0 97.75 Tocris 1702 N6-Cyclopentyladenosine 335.159 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 SQMWSBKSHWARHU-SDBHATRESA-N 657378 BRD-K81807412-001-11-9 N6-methyladenosine 0 96.03 MedChemEx HY-N0086 N6-Methyladenosine 281.112 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O VQAYFKKCNSOZKM-IOSLPCCCSA-N 102175 BRD-K81807412-001-10-6 N6-methyladenosine 0 97.73 Selleck S3190 N6-methyladenosine (m6A) 281.112 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O VQAYFKKCNSOZKM-IOSLPCCCSA-N 102175 BRD-K82522873-001-01-1 N6022 0 96.42 MedChemEx HY-14984 N6022 414.169 Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O YVPGZQLRPAGKLA-UHFFFAOYSA-N 44623946 BRD-K82522873-001-02-9 N6022 0 98.67 MedChemEx HY-14984 N6022 414.169 Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O YVPGZQLRPAGKLA-UHFFFAOYSA-N 44623946 BRD-K36804890-001-02-9 NAB-2 0 98.33 Tocris 5131 NAB 2 389.129 Cc1ccc(C)c(c1)-n1cnc2cc(ccc12)C(=O)NCc1ccccc1Cl CZSLEMCYYGEGKP-UHFFFAOYSA-N 82017756 BRD-K36804890-001-01-9 NAB-2 0 97.08 Tocris 5131 NAB 2 389.129 Cc1ccc(C)c(c1)-n1cnc2cc(ccc12)C(=O)NCc1ccccc1Cl CZSLEMCYYGEGKP-UHFFFAOYSA-N 82017756 BRD-K65146499-001-27-9 nabumetone 0 99.57 MicroSource 1503650 NABUMETONE 228.115 COc1ccc2cc(CCC(C)=O)ccc2c1 BLXXJMDCKKHMKV-UHFFFAOYSA-N 4409 BRD-K65146499-001-29-9 nabumetone 0 98.48 MedChemEx HY-B0559 Nabumetone 228.115 COc1ccc2cc(CCC(C)=O)ccc2c1 BLXXJMDCKKHMKV-UHFFFAOYSA-N 4409 BRD-K65146499-001-26-1 nabumetone 0 98.52 Selleck S4051 Nabumetone 228.115 COc1ccc2cc(CCC(C)=O)ccc2c1 BLXXJMDCKKHMKV-UHFFFAOYSA-N 4409 BRD-K01824972-001-05-9 nadide 0 87.7 Selleck S2518 NADIDE 664.117 "NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:9,11,23,25,26,28,40,42,&1:14,&2:18|" BAWFJGJZGIEFAR-NNYOXOHSSA-O 5893 BRD-K01824972-001-04-9 nadide 0 86.18 MicroSource 1500419 NADIDE 664.117 "NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:9,11,23,25,26,28,40,42,&1:14,&2:18|" BAWFJGJZGIEFAR-NNYOXOHSSA-O 5893 BRD-A24397426-001-10-4 nadifloxacin 0 99.02 MicroSource 1502312 NADIFLOXACIN 360.149 "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" JYJTVFIEFKZWCJ-JTQLQIEISA-N 9850038 BRD-A24397426-001-13-9 nadifloxacin 0 94.34 MedChemEx HY-B0506 Nadifloxacin 360.149 "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" JYJTVFIEFKZWCJ-JTQLQIEISA-N 9850038 BRD-A24397426-001-09-6 nadifloxacin 0 96.97 Selleck S3105 Nadifloxacin 360.149 "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |&1:1,r|" JYJTVFIEFKZWCJ-JTQLQIEISA-N 9850038 BRD-A87606379-001-22-4 nadolol 0 63.89 MicroSource 1503260 NADOLOL 309.194 "CC(C)(C)NC[C@@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |a:16,18,&1:6|" VWPOSFSPZNDTMJ-YUELXQCFSA-N 7048578 BRD-A87606379-001-23-2 nadolol 0 0 Sigma MFCD00079476 "(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol" 309.194 "CC(C)(C)NC[C@@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |a:16,18,&1:6|" VWPOSFSPZNDTMJ-YUELXQCFSA-N 7048578 BRD-M06409173-001-02-7 NADPH 0 70 MedChemEx HY-F0003A NADPH (tetracyclohexanamine) 1141.51 "NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:37,39,51,53,54,60,72,74,&1:42,&2:46,c:34,t:31|" PTKRUDMLGIIORX-ITGWJZMWSA-N 71312102 BRD-M06409173-001-01-9 NADPH 0 0 MedChemEx HY-F0003A NADPH (tetracyclohexanamine) 1141.51 "NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |a:37,39,51,53,54,60,72,74,&1:42,&2:46,c:34,t:31|" PTKRUDMLGIIORX-ITGWJZMWSA-N 71312102 BRD-A71262238-001-08-4 nafadotride 0 86.99 Tocris 1347 Nafadotride 365.21 "CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC |&1:8,r|" IDZASIQMRGPBCQ-QGZVFWFLSA-N 6604854 BRD-K06674495-334-05-7 nafamostat 0 80.03 Tocris 3081 Nafamostat mesylate 347.138 NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N MQQNFDZXWVTQEH-UHFFFAOYSA-N 4413 BRD-K06674495-334-04-0 nafamostat 0 85.96 Selleck S1386 Nafamostat mesylate 347.138 NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N MQQNFDZXWVTQEH-UHFFFAOYSA-N 4413 BRD-K06674495-334-03-2 nafamostat 0 89.75 Selleck S1386 Nafamostat Mesylate 347.138 NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N MQQNFDZXWVTQEH-UHFFFAOYSA-N 4413 BRD-K18574842-323-18-9 nafcillin 0 69.95 MedChemEx HY-B0555A Nafcillin (sodium monohydrate) 414.125 CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O GPXLMGHLHQJAGZ-JTDSTZFVSA-N 8982 BRD-K18574842-236-17-7 nafcillin 0 96.54 MicroSource 1500420 NAFCILLIN SODIUM 414.125 CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O GPXLMGHLHQJAGZ-JTDSTZFVSA-N 8982 BRD-K18574842-323-11-6 nafcillin 0 87.42 Selleck S4042 Nafcillin Sodium 414.125 CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O GPXLMGHLHQJAGZ-JTDSTZFVSA-N 8982 BRD-K96812051-323-01-2 BRD-K18574842-323-10-8 nafcillin 0 95.52 Selleck S4042 Nafcillin Sodium 414.125 CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O GPXLMGHLHQJAGZ-JTDSTZFVSA-N 8982 BRD-A67862938-034-14-9 naftidrofuryl 0 92.27 MicroSource 1503419 NAFRONYL OXALATE 383.246 "CCN(CC)CCOC(=O)[C@@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |&1:10,&2:12|" KBAFPSLPKGSANY-FGZHOGPDSA-N 12898282 BRD-A67862938-034-15-9 naftidrofuryl 0 94.28 MedChemEx HY-B1107 Naftidrofuryl (oxalate) 383.246 "CCN(CC)CCOC(=O)[C@@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |&1:10,&2:12|" KBAFPSLPKGSANY-FGZHOGPDSA-N 12898282 BRD-K74141488-003-11-2 naftifine 0 98.98 MicroSource 1505446 NAFTIFINE HYDROCHLORIDE 287.167 CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12 OZGNYLLQHRPOBR-DHZHZOJOSA-N 47641 BRD-K74141488-003-12-9 naftifine 0 99.05 MedChemEx HY-B0518A Naftifine (hydrochloride) 287.167 CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12 OZGNYLLQHRPOBR-DHZHZOJOSA-N 47641 BRD-K74141488-003-10-4 naftifine 0 98.23 Selleck S3156 Naftifine HCl 287.167 CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12 OZGNYLLQHRPOBR-DHZHZOJOSA-N 47641 BRD-K01826561-003-17-9 naftopidil 0 99.08 Tocris 597 Naftopidil hydrochloride 428.187 COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 |&1:13| HRRBJVNMSRJFHQ-HXUWFJFHSA-N 6603939 BRD-K01826561-003-16-9 naftopidil 0 91.05 Tocris 597 Naftopidil dihydrochloride 428.187 COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 |&1:13| HRRBJVNMSRJFHQ-HXUWFJFHSA-N 6603939 BRD-K66404838-001-02-4 nalbuphine 0 84.9 MicroSource 1501115 NALBUPHINE HYDROCHLORIDE 357.194 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 NETZHAKZCGBWSS-CEDHKZHLSA-N 5311304 BRD-A92651262-003-04-7 BRD-K66404838-310-01-1 nalbuphine 0 91.8 Enzo AC893 Nalbuphine HCl 2H2O 357.194 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 NETZHAKZCGBWSS-CEDHKZHLSA-N 5311304 BRD-K66404838-003-11-1 nalbuphine 0 98.22 Sigma N4396-25MG Nalbuphine hydrochloride 357.194 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 NETZHAKZCGBWSS-CEDHKZHLSA-N 5311304 BRD-K89272869-003-01-8 nalfurafine 0 97.5 MedChemEx HY-12745A Nalfurafine (hydrochloride) 476.231 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 XGZZHZMWIXFATA-UEZBDDGYSA-N 6445230 BRD-K47886988-001-24-9 nalidixic-acid 0 97.59 MedChemEx HY-B0398 Nalidixic acid 232.085 CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 MHWLWQUZZRMNGJ-UHFFFAOYSA-N 4421 BRD-K47886988-001-22-2 nalidixic-acid 0 96.21 MicroSource 1500756 NALIDIXIC ACID 232.085 CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 MHWLWQUZZRMNGJ-UHFFFAOYSA-N 4421 BRD-K47886988-001-21-4 nalidixic-acid 0 97.94 Selleck S2328 Nalidixic acid 232.085 CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 MHWLWQUZZRMNGJ-UHFFFAOYSA-N 4421 BRD-K68407436-003-02-7 nalmefene 0 82.76 Tocris 4085 Nalmefene hydrochloride 339.183 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O WJBLNOPPDWQMCH-MBPVOVBZSA-N 5284594 BRD-K68407436-003-10-9 nalmefene 0 81.99 Tocris 4085 Nalmefene hydrochloride 339.183 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O WJBLNOPPDWQMCH-MBPVOVBZSA-N 5284594 BRD-K68407436-003-03-5 nalmefene 0 97.66 Selleck S4341 Nalmefene HCl 339.183 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O WJBLNOPPDWQMCH-MBPVOVBZSA-N 5284594 BRD-K41458421-034-01-6 naloxegol 0 88.98 MedChemEx HY-A0118A Naloxegol (oxalate) 651.362 COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 XNKCCCKFOQNXKV-ZRSCBOBOSA-N 56959087 BRD-K67511046-003-16-9 naloxone 0 84.75 Selleck S3066 Naloxone HCl 327.147 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O UZHSEJADLWPNLE-GRGSLBFTSA-N 5284596 BRD-K67511046-003-14-4 naloxone 0 84.79 Selleck S3066 Naloxone HCl 327.147 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O UZHSEJADLWPNLE-GRGSLBFTSA-N 5284596 BRD-K67511046-003-15-1 naloxone 0 80.06 Tocris 599 Naloxone hydrochloride 327.147 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O UZHSEJADLWPNLE-GRGSLBFTSA-N 5284596 BRD-K67511046-001-02-3 naloxone 0 87.7 MicroSource 1500422 NALOXONE HYDROCHLORIDE 327.147 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O UZHSEJADLWPNLE-GRGSLBFTSA-N 5284596 BRD-A23195370-003-01-4 BRD-K70898774-001-05-0 naloxone-benzoylhydrazone 0 57.66 Tocris 1419 "N'-((4R,4aS,12bR)-3-allyl-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)benzohydrazide" 445.2 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\NC(=O)c1ccccc1 AKXCFAYOTIEFOH-XTNAHFASSA-N 9601084 BRD-K58239851-001-01-8 BRD-K70898774-001-04-3 naloxone-benzoylhydrazone 0 25.45 Tocris 1419 Naloxone benzoylhydrazone 445.2 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\NC(=O)c1ccccc1 AKXCFAYOTIEFOH-XTNAHFASSA-N 9601084 BRD-K70898774-001-03-5 naloxone-benzoylhydrazone 0 80.29 Tocris 1419 Naloxone benzoylhydrazone 445.2 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\NC(=O)c1ccccc1 AKXCFAYOTIEFOH-XTNAHFASSA-N 9601084 BRD-K88172511-003-21-1 naltrexone 0 93.54 MicroSource 1503262 NALTREXONE HYDROCHLORIDE 341.163 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O DQCKKXVULJGBQN-XFWGSAIBSA-N 5360515 BRD-A66559694-003-01-8 BRD-K88172511-003-22-9 naltrexone 0 81.68 Tocris 677 Naltrexone hydrochloride 341.163 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O DQCKKXVULJGBQN-XFWGSAIBSA-N 5360515 BRD-K88172511-003-19-5 naltrexone 0 75.45 Selleck S2103 Naltrexone HCl 341.163 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O DQCKKXVULJGBQN-XFWGSAIBSA-N 5360515 BRD-K88172511-003-20-3 naltrexone 0 86.11 Selleck S2103 Naltrexone HCl 341.163 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O DQCKKXVULJGBQN-XFWGSAIBSA-N 5360515 BRD-K81275354-066-07-9 naltriben 0 94.03 Tocris 892 Naltriben mesylate 415.178 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O ZHVWWEYETMPAMX-IFKAHUTRSA-N 5486827 BRD-K34088084-003-06-9 naltrindole 0 92.02 Tocris 740 Naltrindole hydrochloride 414.194 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O WIYUZYBFCWCCQJ-IFKAHUTRSA-N 5497186 BRD-K18280217-001-01-0 Nampt-IN-1 0 97.45 MedChemEx HY-12971 Nampt-IN-1 419.151 CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc1cccnc1 QHHSCLARESIWBH-UHFFFAOYSA-N 92044379 BRD-K69195780-004-09-9 NAN-190 0 95.35 Tocris 553 NAN-190 hydrobromide 393.205 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 SJDOMIRMMUGQQK-UHFFFAOYSA-N 4431 BRD-K69195780-004-08-4 NAN-190 0 91.6 Tocris 553 NAN-190 hydrobromide 393.205 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 SJDOMIRMMUGQQK-UHFFFAOYSA-N 4431 BRD-A73871920-236-03-6 nanchangmycin 0 98.79 Selleck S1450 Nanchangmycin 866.539 "CO[C@H]1CC[C@@H](O[C@H]2C[C@@H](O[C@]3(O[C@H](C[C@@H]3C)[C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)[C@@H]2C)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)O2)O[C@@H]1C |a:2,7,11,13,15,19,23,26,28,30,34,36,38,40,42,49,52,59,&1:5,&2:9,&3:17|" FELYAZAWTURXNF-KWJIWYEDSA-N 86278938 BRD-A68478444-236-01-8 BRD-K22064724-001-01-8 napabucasin 0 91.09 MedChemEx HY-13919 Napabucasin 240.042 CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O DPHUWDIXHNQOSY-UHFFFAOYSA-N 10331844 BRD-K22064724-001-02-6 napabucasin 0 82.25 Tocris 5522 Napabucasin 240.042 CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O DPHUWDIXHNQOSY-UHFFFAOYSA-N 10331844 BRD-K00004563-001-01-9 napamezole 0 74.76 Sigma MFCD00865344 "2-(3,4-dihydro-2-naphthalenylmethyl)-4,5-dihydro-1H-imidazole" 212.131 "C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|" WETRBJOSGIDJHQ-UHFFFAOYSA-N 55718 BRD-K77641333-003-30-9 naphazoline 0 97.77 MedChemEx HY-B0446 Naphazoline (hydrochloride) 210.116 C(C1=NCCN1)c1cccc2ccccc12 |t:1| CNIIGCLFLJGOGP-UHFFFAOYSA-N 4436 BRD-K77641333-003-26-3 naphazoline 0 94.34 Selleck S2519 Naphazoline HCl 210.116 C(C1=NCCN1)c1cccc2ccccc12 |t:1| CNIIGCLFLJGOGP-UHFFFAOYSA-N 4436 BRD-K77641333-003-27-1 naphazoline 0 98.84 MicroSource 1500424 NAPHAZOLINE HYDROCHLORIDE 210.116 C(C1=NCCN1)c1cccc2ccccc12 |t:1| CNIIGCLFLJGOGP-UHFFFAOYSA-N 4436 BRD-K13664493-316-02-5 naphthoquine-phosphate 0 79.04 MedChemEx HY-17036 Naphthoquine (phosphate) 409.192 CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2CCCCc2c1O VEVMYTDOWUQLGI-UHFFFAOYSA-N 9851775 BRD-K13664493-316-03-3 naphthoquine-phosphate 0 71.31 MedChemEx HY-17036 Naphthoquine (phosphate) 409.192 CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2CCCCc2c1O VEVMYTDOWUQLGI-UHFFFAOYSA-N 9851775 BRD-K13664493-316-01-7 naphthoquine-phosphate 0 0 MedChemEx HY-17036 Naphthoquine (phosphate) 409.192 CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2CCCCc2c1O VEVMYTDOWUQLGI-UHFFFAOYSA-N 9851775 BRD-K91234829-001-01-7 napirimus 0 98.99 Enamine Z2301235074 1-methyl-4-(1-naphthoyl)-1H-pyrrole-2-carboxylic acid 279.09 Cn1cc(cc1C(O)=O)C(=O)c1cccc2ccccc12 CNUPQURTHORUGH-UHFFFAOYSA-N 3047779 BRD-K59197931-236-22-9 naproxen 0 98.9 Selleck S1626 Naproxen Sodium 230.094 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O CMWTZPSULFXXJA-VIFPVBQESA-N 156391 BRD-K59197931-236-21-1 naproxen 0 92.07 Tocris 2655 Naproxen sodium 230.094 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O CMWTZPSULFXXJA-VIFPVBQESA-N 156391 BRD-K59197931-236-20-3 naproxen 0 88.95 Selleck S1626 Naproxen 230.094 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O CMWTZPSULFXXJA-VIFPVBQESA-N 156391 BRD-K59197931-001-04-5 naproxen 0 99.66 MicroSource 1500425 NAPROXEN(+) 230.094 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O CMWTZPSULFXXJA-VIFPVBQESA-N 156391 BRD-K64114733-066-03-9 naquotinib 0 89.03 MedChemEx HY-19803 Naquotinib (mesylate) 562.338 CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1O[C@@H]1CCN(C1)C(=O)C=C QKDCLUARMDUUKN-XMMPIXPASA-N 71667668 BRD-A25608658-001-01-1 narasin 0 100 MicroSource 1502035 NARASIN 764.507 "CC[C@H]([C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]4CC[C@](O)(CC)[C@H](C)O4)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C)C(O)=O |a:2,3,5,6,8,10,14,17,19,21,24,30,34,37,41,44,46,49,&1:27,c:41|" VHKXXVVRRDYCIK-OQMITHEGSA-N BRD-K61337602-003-04-9 naratriptan 0 98.58 MedChemEx HY-B0197A Naratriptan (hydrochloride) 335.167 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 AMKVXSZCKVJAGH-UHFFFAOYSA-N 4440 BRD-K61337602-003-02-1 naratriptan 0 87.58 Selleck S1488 Naratriptan 335.167 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 AMKVXSZCKVJAGH-UHFFFAOYSA-N 4440 BRD-K61337602-003-03-9 naratriptan 0 88.86 Selleck S1488 Naratriptan HCl 335.167 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 AMKVXSZCKVJAGH-UHFFFAOYSA-N 4440 BRD-K08832567-001-12-9 naringenin 0 96.8 MedChemEx HY-N0100 Naringenin 272.068 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 FTVWIRXFELQLPI-ZDUSSCGKSA-N 439246 BRD-K08832567-001-11-5 naringenin 0 96.02 Selleck S2394 Naringenin 272.068 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 FTVWIRXFELQLPI-ZDUSSCGKSA-N 439246 BRD-K87122641-001-10-7 naringeninic-acid 0 97.59 Sigma 55823 (2E)-3-(4-hydroxyphenyl)-2-propenoic acid 164.047 OC(=O)\C=C\c1ccc(O)cc1 NGSWKAQJJWESNS-ZZXKWVIFSA-N 637542 BRD-K87122641-001-08-1 naringeninic-acid 0 69.59 Vitas-M STL163567 164.047 OC(=O)\C=C\c1ccc(O)cc1 NGSWKAQJJWESNS-ZZXKWVIFSA-N 637542 BRD-K02953697-001-10-9 naringin 0 94.5 MedChemEx HY-N0153 Naringin 580.179 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O DFPMSGMNTNDNHN-ZPHOTFPESA-N 442428 BRD-K02953697-001-09-2 naringin 0 92.64 Selleck S2329 Naringin 580.179 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O DFPMSGMNTNDNHN-ZPHOTFPESA-N 442428 BRD-K80718324-001-01-2 BRD-K72522627-001-02-9 naringin-dihydrochalcone 0 96.69 MedChemEx HY-N0119 Naringin Dihydrochalcone 582.195 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@H](O)[C@H]1O CWBZAESOUBENAP-QVNVHUMTSA-N 9894584 BRD-K38287497-001-02-9 narlaprevir 0 82.93 MedChemEx HY-10300 Narlaprevir 707.429 CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1 RICZEKWVNZFTNZ-LFGITCQGSA-N 11857239 BRD-K38287497-001-01-2 narlaprevir 0 95.2 MedChemEx HY-10300 Narlaprevir 707.429 CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1 RICZEKWVNZFTNZ-LFGITCQGSA-N 11857239 BRD-K00004235-334-01-9 NAS-181 0 87.91 Tocris 1413 NAS-181 346.189 C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |t:7| RTKDBEOSPDFLGD-QGZVFWFLSA-N 9955015 BRD-K17295893-001-02-9 nastorazepide 0 98.62 MedChemEx HY-17617 Nastorazepide 520.269 CC(C)(C)C(=O)CN1c2ccccc2N(C[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 VIJCCFFEBCOOIE-JOCHJYFZSA-N 9872609 BRD-K17295893-238-03-9 nastorazepide 0 96.82 Adooq A13671 "Z360, Z 360" 520.269 CC(C)(C)C(=O)CN1c2ccccc2N(C[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 VIJCCFFEBCOOIE-JOCHJYFZSA-N 9872609 BRD-K17295893-001-01-0 nastorazepide 0 97.38 MedChemEx HY-17617 Nastorazepide 520.269 CC(C)(C)C(=O)CN1c2ccccc2N(C[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 VIJCCFFEBCOOIE-JOCHJYFZSA-N 9872609 BRD-K90563805-213-01-9 natamycin 0 0 MicroSource 1505560 NATAMYCIN 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-A00398769-213-01-5 BRD-K90563805-001-03-4 natamycin 0 91.43 MedChemEx HY-B0133 Natamycin 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-K90563805-001-04-2 natamycin 0 79.84 MedChemEx HY-B0133 Natamycin 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-K40312300-001-01-1 BRD-K90563805-001-02-6 natamycin 0 87.26 Sigma MFCD00135085 "(1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxy;lic acid" 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-K90563805-001-05-9 natamycin 0 33.15 Selleck S1517 Natamycin 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-A55960065-001-01-6|BRD-A00773244-001-01-3 BRD-K90563805-001-06-7 natamycin 0 0 Selleck S1517 Natamycin 665.305 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:27,35,37,39,41|" NCXMLFZGDNKEPB-FFPOYIOWSA-N 5284447 BRD-A55960065-001-02-4|BRD-K63692151-001-01-8 BRD-K44353683-001-10-9 nateglinide 0 93.05 Tocris 4231 Nateglinide 317.199 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O OELFLUMRDSZNSF-BRWVUGGUSA-N BRD-K44353683-001-08-3 nateglinide 0 98.07 Tocris 4231 Nateglinide 317.199 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O OELFLUMRDSZNSF-BRWVUGGUSA-N BRD-K44353683-001-13-9 nateglinide 0 93.06 Tocris 4231 Nateglinide 317.199 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O OELFLUMRDSZNSF-BRWVUGGUSA-N BRD-K44353683-001-07-5 nateglinide 0 95.78 Selleck S2489 Nateglinide 317.199 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O OELFLUMRDSZNSF-BRWVUGGUSA-N BRD-K44353683-001-12-5 nateglinide 0 95.48 Selleck S2489 NATEGLINIDE 317.199 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O OELFLUMRDSZNSF-BRWVUGGUSA-N BRD-A84202322-001-02-9 NAV-26 0 96.02 Tocris 4691 NAV 26 434.145 "FC(F)(F)Oc1ccc(CNC(=O)[C@H]2N(C3CCOCC3)C(=O)c3ccccc23)cc1 |&1:13,r|" ICGMZCVSHDKQTE-IBGZPJMESA-N 60201418 BRD-A84202322-001-01-7 NAV-26 0 97.97 Tocris 4691 NAV 26 434.145 "FC(F)(F)Oc1ccc(CNC(=O)[C@H]2N(C3CCOCC3)C(=O)c3ccccc23)cc1 |&1:13,r|" ICGMZCVSHDKQTE-IBGZPJMESA-N 60201418 BRD-K82850175-001-02-9 navarixin 0 91.52 MedChemEx HY-10198 Navarixin 397.164 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 RXIUEIPPLAFSDF-CYBMUJFWSA-N 9865554 BRD-K82850175-001-01-1 navarixin 0 93.85 MedChemEx HY-10198 SCH 527123 397.164 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 RXIUEIPPLAFSDF-CYBMUJFWSA-N 9865554 BRD-K82746043-001-21-9 navitoclax 0 96.6 MedChemEx HY-10087 Navitoclax 973.296 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5| JLYAXFNOILIKPP-KXQOOQHDSA-N 24978538 BRD-K82746043-001-19-3 navitoclax 0 94.7 Selleck S1001 ABT-263 (Navitoclax) 973.296 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5| JLYAXFNOILIKPP-KXQOOQHDSA-N 24978538 BRD-K82746043-001-15-1 navitoclax 0 86.22 Selleck S1001 ABT-263 (Navitoclax) 973.296 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5| JLYAXFNOILIKPP-KXQOOQHDSA-N 24978538 BRD-K00004670-001-01-9 naxagolide 0 92.36 Adooq A13087 "(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol" 247.157 CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 JCSREICEMHWFAY-HUUCEWRRSA-N 57533 BRD-K00004647-001-01-9 NB-001 0 93.1 Sigma SML0060 5-{[2-(6-amino-9H-purin-9-yl)ethyl]amino}-1-pentanol 264.17 Nc1ncnc2n(CCNCCCCCO)cnc12 CVPTTZZCRDVGSU-UHFFFAOYSA-N 2815031 BRD-K61177364-003-03-7 NBI-27914 0 94.63 Tocris 1591 NBI 27914 hydrochloride 432.044 CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl KNADXBVKFAUMCR-UHFFFAOYSA-N 176157 BRD-K61177364-003-09-9 NBI-27914 0 97.16 Tocris 1591 NBI 27914 hydrochloride 432.044 CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl KNADXBVKFAUMCR-UHFFFAOYSA-N 176157 BRD-K61177364-003-02-9 NBI-27914 0 97.59 Tocris 1591 NBI 27914 hydrochloride 432.044 CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl KNADXBVKFAUMCR-UHFFFAOYSA-N 176157 BRD-A86523169-001-02-9 NBI-74330-(+/-) 0 97.53 Tocris 4528 (+/-)-NBI 74330 605.205 "CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |&1:20,r|" XMRGQUDUVGRCBS-HXUWFJFHSA-N 45784923 BRD-A86523169-001-01-0 NBI-74330-(+/-) 0 98.26 Tocris 4528 (+/-)-NBI 74330 605.205 "CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |&1:20,r|" XMRGQUDUVGRCBS-HXUWFJFHSA-N 45784923 BRD-K15241725-001-02-9 NBI-98782 0 85.41 MedChemEx HY-15793 NBI-98782 319.215 COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC WEQLWGNDNRARGE-DJIMGWMZSA-N 14580381 BRD-K11796549-001-05-2 NBQX 0 98.33 Tocris 373 NBQX 336.016 NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O UQNAFPHGVPVTAL-UHFFFAOYSA-N 3272524 BRD-K11796549-304-01-9 NBQX 0 92.25 Tocris 1044 NBQX disodium salt 336.016 NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O UQNAFPHGVPVTAL-UHFFFAOYSA-N 3272524 BRD-K11796549-001-04-5 NBQX 0 98.85 Tocris 373 NBQX 336.016 NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O UQNAFPHGVPVTAL-UHFFFAOYSA-N 3272524 BRD-K11796549-001-06-9 NBQX 0 97.78 Tocris 373 NBQX 336.016 NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O UQNAFPHGVPVTAL-UHFFFAOYSA-N 3272524 BRD-K01826782-001-02-9 NCS-382 0 96.9 Tocris 780 NCS-382 218.094 O[C@@H]1c2ccccc2CCC\C1=C/C(O)=O |&1:1| UADPGHINQMWEAG-FROQITRMSA-N 6604757 BRD-K00004749-001-01-9 NCX-1015 0 16.19 MedChemEx HY-101757 NCX-1015 539.216 "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c1ccc(CO[N+]([O-])=O)cc1 |c:13,t:9|" MJHYBJOMJPGNMM-KGWLDMEJSA-N 9850209 BRD-K00004664-001-01-9 NDD-094 0 91.14 Enamine EN300-5041320 2-[(2-methyl-1H-imidazol-1-yl)methyl]pyridine 173.095 Cc1nccn1Cc1ccccn1 CTUICISGLKIJLG-UHFFFAOYSA-N 10313324 BRD-K17539220-001-01-5 NDT-9513727 0 91.92 Tocris 3333 NDT 9513727 573.263 CCCCn1c(CN(Cc2ccc3OCOc3c2)Cc2ccc3OCOc3c2)c(nc1-c1ccccc1)-c1ccccc1 ITACCRHKSPSKKL-UHFFFAOYSA-N 10210160 BRD-K17539220-001-02-9 NDT-9513727 0 96.42 Tocris 3333 NDT 9513727 573.263 CCCCn1c(CN(Cc2ccc3OCOc3c2)Cc2ccc3OCOc3c2)c(nc1-c1ccccc1)-c1ccccc1 ITACCRHKSPSKKL-UHFFFAOYSA-N 10210160 BRD-K11443721-003-01-6 NE-100 0 92.52 Tocris 3133 N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propyl-1-propanamine hydrochloride 355.251 CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 YBLIQJGXRLZBCZ-UHFFFAOYSA-N 9841596 BRD-K11443721-003-02-4 NE-100 0 89.79 Tocris 3133 NE 100 hydrochloride 355.251 CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 YBLIQJGXRLZBCZ-UHFFFAOYSA-N 9841596 BRD-K00003617-003-01-9 nebivolol 0 96.86 MedChemEx HY-B0203A Nebivolol (hydrochloride) 405.175 "O[C@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 |&1:1,5,7,18|" KOHIRBRYDXPAMZ-YHBROIRLSA-N 189562 BRD-A51355958-003-01-9 nebracetam 0 98.57 Enamine EN300-119912 204.126 NC[C@H]1CN(Cc2ccccc2)C(=O)C1 |&1:2| LCAFGJGYCUMTGS-NSHDSACASA-N 25136943 BRD-K14395568-001-17-1 NECA 0 98.06 Tocris 1691 NECA 308.123 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 JADDQZYHOWSFJD-FLNNQWSLSA-N 448222 BRD-K14395568-001-18-9 NECA 0 92 Tocris 1691 NECA 308.123 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 JADDQZYHOWSFJD-FLNNQWSLSA-N 448222 BRD-K14395568-001-16-3 NECA 0 98.69 Tocris 1691 NECA 308.123 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 JADDQZYHOWSFJD-FLNNQWSLSA-N 448222 BRD-K01825019-001-06-9 necrostatin-1 0 77.3 Tocris 2324 Necrostatin-1 259.078 CN1C(=S)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| TXUWMXQFNYDOEZ-NSHDSACASA-N 738301 BRD-K01825019-001-10-9 necrostatin-1 0 85.56 Selleck S8037 Necrostatin-1 259.078 CN1C(=S)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| TXUWMXQFNYDOEZ-NSHDSACASA-N 738301 BRD-K01825019-001-08-9 necrostatin-1 0 94.54 Selleck S8037 Necrostatin-1 259.078 CN1C(=S)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| TXUWMXQFNYDOEZ-NSHDSACASA-N 738301 BRD-K01825019-001-09-9 necrostatin-1 0 87.48 Tocris 2324 Necrostatin-1 259.078 CN1C(=S)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| TXUWMXQFNYDOEZ-NSHDSACASA-N 738301 BRD-K68851986-001-01-6 necrostatin-2 0 98.11 MedChemEx HY-14622 Necrostatin 2 277.062 CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O WIKGAEMMNQTUGL-SNVBAGLBSA-N 11288934 BRD-K73469236-001-01-8 nedaplatin 1 0 MedChemEx HY-13700 Nedaplatin 301.003 N[Pt]1(N)OC=C(O)O1 |t:4| AUZDMWWRYCUANI-UHFFFAOYSA-L BRD-K34751753-318-01-8|BRD-U48121946-000-01-8 BRD-K73469236-001-02-9 nedaplatin 1 0 MedChemEx HY-13700 Nedaplatin 301.003 N[Pt]1(N)OC=C(O)O1 |t:4| AUZDMWWRYCUANI-UHFFFAOYSA-L BRD-K64716392-001-02-1 nedocromil 0 79.3 MedChemEx HY-13448 "9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid" 371.101 CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(O)=O)C(O)=O RQTOOFIXOKYGAN-UHFFFAOYSA-N 50294 BRD-K64716392-001-03-9 nedocromil 0 91.97 MedChemEx HY-13448 Nedocromil 371.101 CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(O)=O)C(O)=O RQTOOFIXOKYGAN-UHFFFAOYSA-N 50294 BRD-K64716392-001-01-3 nedocromil 0 76.02 MedChemEx HY-13448 Nedocromil 371.101 CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(O)=O)C(O)=O RQTOOFIXOKYGAN-UHFFFAOYSA-N 50294 BRD-K90789829-001-07-8 nefazodone 0 97.66 MicroSource 1502314 NEFAZODONE HYDROCHLORIDE 469.224 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 VRBKIVRKKCLPHA-UHFFFAOYSA-N 4449 BRD-K90789829-003-12-4 nefazodone 0 93.15 Tocris 2777 Nefazodone hydrochloride 469.224 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 VRBKIVRKKCLPHA-UHFFFAOYSA-N 4449 BRD-K90789829-003-13-9 nefazodone 0 96.84 Tocris 2777 Nefazodone hydrochloride 469.224 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 VRBKIVRKKCLPHA-UHFFFAOYSA-N 4449 BRD-K65678996-001-09-7 nefiracetam 0 93.56 Tocris 2851 Nefiracetam 246.137 Cc1cccc(C)c1NC(=O)CN1CCCC1=O NGHTXZCKLWZPGK-UHFFFAOYSA-N 71157 BRD-K65678996-001-05-5 nefiracetam 0 99.27 MicroSource 1502315 NEFIRACETAM 246.137 Cc1cccc(C)c1NC(=O)CN1CCCC1=O NGHTXZCKLWZPGK-UHFFFAOYSA-N 71157 BRD-K65678996-001-04-8 nefiracetam 0 97.62 Selleck S1969 Nefiracetam 246.137 Cc1cccc(C)c1NC(=O)CN1CCCC1=O NGHTXZCKLWZPGK-UHFFFAOYSA-N 71157 BRD-K01826512-003-11-9 nefopam 0 97.05 Selleck S4180 Nefopam HCl 289.123 CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 |&1:5| RGPDEAGGEXEMMM-KRWDZBQOSA-N 184147 BRD-K01826512-003-12-9 nefopam 0 98.62 Selleck S4180 NEFOPAM 289.123 CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 |&1:5| RGPDEAGGEXEMMM-KRWDZBQOSA-N 184147 BRD-K84466663-001-08-9 nelarabine 0 98.83 Tocris 6359 Nelarabine 297.107 COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O IXOXBSCIXZEQEQ-UHTZMRCNSA-N 3011155 BRD-K84466663-001-05-4 nelarabine 0 98.35 Selleck S1213 Nelarabine 297.107 COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O IXOXBSCIXZEQEQ-UHTZMRCNSA-N 3011155 BRD-K74117820-066-10-8 nelfinavir 0 98.14 Enzo DL566 NELFINAVIR MESYLATE 567.313 Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C QAGYKUNXZHXKMR-HKWSIXNMSA-N 64143 BRD-K74117820-001-08-9 nelfinavir 0 96.21 MedChemEx HY-15287 Nelfinavir 567.313 Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C "InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1" 64143 BRD-K00003315-001-01-9 nelociguat 0 95.75 MedChemEx HY-78237 Nelociguat 408.146 COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 FTQHGWIXJSSWOY-UHFFFAOYSA-N 11690019 BRD-K00003466-001-01-9 nelotanserin 0 96.92 MedChemEx HY-10559 Nelotanserin 436.035 COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C COSPVUFTLGQDQL-UHFFFAOYSA-N 11683556 BRD-K00004662-001-01-9 nemazoline 0 72.14 Enamine Z2327673241 "2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenylamine" 243.033 Nc1c(Cl)cc(C=C2NCCN2)cc1Cl OEOYJZUHFXEJEI-UHFFFAOYSA-N BRD-K00003285-001-01-9 nemiralisib 0 97.29 MedChemEx HY-19535A Nemiralisib 440.232 CC(C)N1CCN(Cc2cnc(o2)-c2cc(cc3[nH]ncc23)-c2cccc3[nH]ccc23)CC1 MCIDWGZGWVSZMK-UHFFFAOYSA-N 49784002 BRD-K47289124-001-03-9 nemonapride 0 96.96 Tocris 1746 Nemonapride 387.171 "CNc1cc(OC)c(cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C |&1:14,25|" KRVOJOCLBAAKSJ-RDTXWAMCSA-N 156333 BRD-K00003505-001-01-9 nemorexant 0 98.29 MedChemEx HY-109095 Nemorexant 450.157 COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 NBGABHGMJVIVBW-QHCPKHFHSA-N 91801202 BRD-K51911221-001-01-2 nemorubicin 0 90.61 MedChemEx HY-15794 Nemorubicin 643.226 CO[C@@H]1CN(CCO1)[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O CTMCWCONSULRHO-UHQPFXKFSA-N 65907 BRD-K51911221-001-02-9 nemorubicin 0 90.28 MedChemEx HY-15794 Nemorubicin 643.226 CO[C@@H]1CN(CCO1)[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O CTMCWCONSULRHO-UHQPFXKFSA-N 65907 BRD-A53539450-004-01-7 neo-gilurytmal 0 83.33 InterBioScreen STOCK1N-12913 369.254 "CCC[N@@+]12[C@H]3C[C@]45[C@@H](O)[C@@H]3[C@@H](C[C@@H]1[C@@H]4N(C)c1ccccc51)[C@H](CC)[C@H]2O |a:4,6,10,13,22,25,&1:3,&2:7,&3:9,&4:12|" UAUHEPXILIZYCU-JSQPETPRSA-N BRD-K00003712-001-01-9 neohesperidin 0 92.43 MedChemEx HY-N0101 Neohesperidin 610.19 [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(OC)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ARGKVCXINMKCAZ-UZRWAPQLSA-N 442439 BRD-K61032563-001-05-9 neohesperidin-dihydrochalcone 0 93.31 MedChemEx HY-N0154 Neohesperidin dihydrochalcone 612.205 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O ITVGXXMINPYUHD-CUVHLRMHSA-N 30231 BRD-K61032563-001-02-9 neohesperidin-dihydrochalcone 0 94.52 Selleck S2331 Neohesperidin Dihydrochalcone (Nhdc) 612.205 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O ITVGXXMINPYUHD-CUVHLRMHSA-N 30231 BRD-K33395461-001-01-0 BRD-K71013094-326-02-6 neomycin 0 0 MedChemEx HY-B0470 Neomycin (sulfate) 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-M08953053-001-01-9 BRD-K71013094-001-02-5 neomycin 0 0 Sigma MFCD00242602 "(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside" 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-K71013094-065-05-3 neomycin 0 0 Selleck S2568 Neomycin sulfate 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-A93778806-065-02-3 BRD-K71013094-326-01-8 neomycin 0 0 MedChemEx HY-B0470 Neomycin (sulfate) 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-K71013094-326-03-4 neomycin 0 0 MicroSource 1500427 NEOMYCIN TRISULFATE 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-A93490927-326-01-7 BRD-K71013094-065-04-6 neomycin 0 0 Selleck S2568 Neomycin sulfate 614.312 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O PGBHMTALBVVCIT-VCIWKGPPSA-N 8378 BRD-A35132579-065-01-1 BRD-K18922609-004-25-9 neostigmine 0 98.23 MedChemEx HY-B0423 Neostigmine (Bromide) 223.145 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C ALWKGYPQUAPLQC-UHFFFAOYSA-N 4456 BRD-K18922609-004-24-9 neostigmine 0 0 Selleck S2490 Neostigmine bromide (Prostigmin) 223.145 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C ALWKGYPQUAPLQC-UHFFFAOYSA-N 4456 BRD-K18922609-004-22-3 neostigmine 0 0 Selleck S2490 Neostigmine bromide (Prostigmin) 223.145 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C ALWKGYPQUAPLQC-UHFFFAOYSA-N 4456 BRD-K18922609-004-23-1 neostigmine 0 95.35 MicroSource 1500428 NEOSTIGMINE BROMIDE 223.145 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C ALWKGYPQUAPLQC-UHFFFAOYSA-N 4456 BRD-K04112579-001-07-0 nepafenac 0 97.8 Selleck S1255 Nepafenac 254.106 NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N QEFAQIPZVLVERP-UHFFFAOYSA-N 151075 BRD-K09126848-003-03-5 nepicastat 0 91.33 MedChemEx HY-13289A Nepicastat (hydrochloride) 295.095 NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 YZZVIKDAOTXDEB-JTQLQIEISA-N 9796181 BRD-K09126848-003-01-9 nepicastat 0 79.81 MedChemEx HY-13289A Nepicastat (hydrochloride) 295.095 NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 YZZVIKDAOTXDEB-JTQLQIEISA-N 9796181 BRD-K09126848-003-02-7 nepicastat 0 81.05 Sigma SML0940 "(S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2-thiol hydrochloride" 295.095 NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 YZZVIKDAOTXDEB-JTQLQIEISA-N 9796181 BRD-K85606544-001-13-9 neratinib 0 90.47 MedChemEx HY-32721 Neratinib 556.199 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C JWNPDZNEKVCWMY-VQHVLOKHSA-N 9915743 BRD-K85606544-001-09-1 neratinib 0 90.19 Selleck S2150 Neratinib (HKI-272) 556.199 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C JWNPDZNEKVCWMY-VQHVLOKHSA-N 9915743 BRD-K43647122-001-01-3 nerbacadol 0 85.08 Enamine Z228841354 1-[(5-methyl-4-isoxazolyl)carbonyl]piperidine 194.106 Cc1oncc1C(=O)N1CCCCC1 ZWNGSOLJLMBZFZ-UHFFFAOYSA-N 65865 BRD-K60212747-001-02-9 neridronic-acid 1 0 Sigma MFCD00866995 "(6-amino-1-hydroxyhexane-1,1-diyl)bis(phosphonic acid)" 277.048 NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O PUUSSSIBPPTKTP-UHFFFAOYSA-N 71237 BRD-K60212747-236-01-1 neridronic-acid 1 0 Toronto N390025 Neridronate Sodium Salt 277.048 NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O PUUSSSIBPPTKTP-UHFFFAOYSA-N 71237 BRD-K79989959-001-01-4 nesbuvir 0 98.31 MedChemEx HY-14775 Nesbuvir 446.131 CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1 WTDWVLJJJOTABN-UHFFFAOYSA-N 11561383 BRD-K79989959-001-02-9 nesbuvir 0 97.17 MedChemEx HY-14775 Nesbuvir 446.131 CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1 WTDWVLJJJOTABN-UHFFFAOYSA-N 11561383 BRD-K00003604-315-01-9 netilmicin 0 0 MedChemEx HY-A0086 Netilmicin (sulfate) 475.301 [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](NCC)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)OC(CN)=CC[C@H]1N |c:32| CIDUJQMULVCIBT-MQDUPKMGSA-N 441306 BRD-K97428065-001-01-2 netupitant 0 97.52 MedChemEx HY-16346 Netupitant 578.248 CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 WAXQNWCZJDTGBU-UHFFFAOYSA-N 6451149 BRD-K97428065-001-02-9 netupitant 0 94.28 MedChemEx HY-16346 Netupitant 578.248 CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 WAXQNWCZJDTGBU-UHFFFAOYSA-N 6451149 BRD-K00003470-001-01-9 Neu2000 0 96.58 MedChemEx HY-106408 Neu2000 383.039 OC(=O)c1cc(NCc2c(F)c(F)c(c(F)c2F)C(F)(F)F)ccc1O HABROHXUHNHQMY-UHFFFAOYSA-N 9951955 BRD-K22631935-001-03-5 neurodazine 0 85.65 Tocris 3656 Neurodazine 456.124 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(o1)-c1cccc(Cl)c1 FEEOFPAEDSMOTO-UHFFFAOYSA-N 16112820 BRD-K22631935-001-02-7 neurodazine 0 72.73 Tocris 3656 Neurodazine 456.124 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(o1)-c1cccc(Cl)c1 FEEOFPAEDSMOTO-UHFFFAOYSA-N 16112820 BRD-K28567778-001-02-7 neuropathiazol 0 83.16 Tocris 5186 Neuropathiazol 338.109 CCOC(=O)c1ccc(cc1)N(C)c1csc(n1)-c1ccccc1 MGKYEWWFHSESJN-UHFFFAOYSA-N 11667240 BRD-K28567778-001-01-9 neuropathiazol 0 Broad Institute Neuropathiazol 338.109 CCOC(=O)c1ccc(cc1)N(C)c1csc(n1)-c1ccccc1 "InChI=1S/C19H18N2O2S/c1-3-23-19(22)15-9-11-16(12-10-15)21(2)17-13-24-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3" 11667240 BRD-K15502390-001-20-9 nevirapine 0 99.37 MicroSource 1503842 NEVIRAPINE 266.117 Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 NQDJXKOVJZTUJA-UHFFFAOYSA-N 4463 BRD-K15502390-001-19-1 nevirapine 0 98.32 Selleck S1742 Nevirapine 266.117 Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 NQDJXKOVJZTUJA-UHFFFAOYSA-N 4463 BRD-K70402238-001-02-8 nexturastat-A 0 93.27 Selleck S7473 Nexturastat A 341.174 CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 JZWXMCPARMXZQV-UHFFFAOYSA-N 71462653 BRD-K70402238-001-04-9 nexturastat-A 0 91.4 MedChemEx HY-16699 Nexturastat A 341.174 CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 JZWXMCPARMXZQV-UHFFFAOYSA-N 71462653 BRD-K83354763-001-07-9 NFKB-activation-inhibitor-II 0 87.14 MedChemEx HY-13982 JSH-23 240.163 Cc1ccc(NCCCc2ccccc2)c(N)c1 YMFNPBSZFWXMAD-UHFFFAOYSA-N 16760588 BRD-K83354763-001-03-7 NFKB-activation-inhibitor-II 0 71.58 Selleck S7351 JSH-23 240.163 Cc1ccc(NCCCc2ccccc2)c(N)c1 YMFNPBSZFWXMAD-UHFFFAOYSA-N 16760588 BRD-K83354763-001-06-0 NFKB-activation-inhibitor-II 0 76.84 Selleck S7351 JSH-23 240.163 Cc1ccc(NCCCc2ccccc2)c(N)c1 YMFNPBSZFWXMAD-UHFFFAOYSA-N 16760588 BRD-K89223384-001-05-2 NG-nitro-arginine 0 98.3 Sigma 72750 (2S)-2-amino-5-{[imino(2-oxido-2-oxohydrazino)methyl]amino}pentanoic acid 219.097 N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O MRAUNPAHJZDYCK-BYPYZUCNSA-N 440005 BRD-K89223384-001-04-5 NG-nitro-arginine 0 70.12 ChemDiv Y041-4623 219.097 N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O MRAUNPAHJZDYCK-BYPYZUCNSA-N 440005 BRD-K05181084-003-04-5 NGB-2904 0 96.62 Tocris 2635 NGB 2904 493.169 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl YJPWVCIGSHWNON-UHFFFAOYSA-N 9891901 BRD-K05181084-003-03-7 NGB-2904 0 93.54 Tocris 2635 NGB 2904 493.169 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl YJPWVCIGSHWNON-UHFFFAOYSA-N 9891901 BRD-K28639661-001-01-6 NGD-94-1 0 97.29 Tocris 3298 2-{4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl}pyrimidine 320.175 C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 OTVQCHUIPJYASM-UHFFFAOYSA-N 188942 BRD-K28639661-001-02-9 NGD-94-1 0 Tocris 3298 NGD 94-1 320.175 C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 OTVQCHUIPJYASM-UHFFFAOYSA-N 188942 BRD-K81779590-003-01-6 NGD-98-2 0 69.89 Tocris 4315 NGD 98-2 hydrochloride 399.177 CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC PSUFQBRCUSJTDO-UHFFFAOYSA-N 9822241 BRD-K81779590-003-02-9 NGD-98-2 0 85.62 Tocris 4315 NGD 98-2 hydrochloride 399.177 CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC PSUFQBRCUSJTDO-UHFFFAOYSA-N 9822241 BRD-K00003490-001-01-9 NGP555 0 91.35 MedChemEx HY-108714 NGP555 406.163 CCc1cc(Nc2nc(cs2)-c2ccc(c(F)c2)-n2cnc(C)c2)c(C)cc1C WDEKUGNKKOGFOA-UHFFFAOYSA-N 46853593 BRD-K31086665-005-04-6 NH125 0 97.8 Selleck S7436 NH125 397.358 CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C ZZXUNAFAKNKXFW-UHFFFAOYSA-N 10436840 BRD-K70344361-005-01-4 BRD-K31086665-005-01-2 NH125 0 0 Tocris 3439 NH 125 397.358 CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C ZZXUNAFAKNKXFW-UHFFFAOYSA-N 10436840 BRD-K05653025-001-01-5 NHI-2 0 81.23 Tocris 5363 NHI 2 335.077 COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F YPPFWRWCZNXINO-UHFFFAOYSA-N 51355147 BRD-K05653025-001-02-9 NHI-2 0 84.97 Tocris 5363 NHI 2 335.077 COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F YPPFWRWCZNXINO-UHFFFAOYSA-N 51355147 BRD-K03042257-001-01-2 NI-57 0 97.87 Tocris 5546 NI 57 383.094 COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N UEMQPCYDWCSVCU-UHFFFAOYSA-N 91827373 BRD-K03042257-001-02-0 NI-57 0 98.42 Cayman 17662 NI-57 383.094 COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N UEMQPCYDWCSVCU-UHFFFAOYSA-N 91827373 BRD-K60237333-001-28-9 niacin 0 0 Selleck S1744 Niacin (Nicotinic acid) 123.032 OC(=O)c1cccnc1 PVNIIMVLHYAWGP-UHFFFAOYSA-N 938 BRD-K60237333-001-26-3 niacin 0 0 Selleck S1744 Nicotinic Acid 123.032 OC(=O)c1cccnc1 PVNIIMVLHYAWGP-UHFFFAOYSA-N 938 BRD-K60237333-001-27-1 niacin 0 91.85 MicroSource 1500430 NIACIN 123.032 OC(=O)c1cccnc1 PVNIIMVLHYAWGP-UHFFFAOYSA-N 938 BRD-K12102668-001-28-9 nialamide 0 80.92 MedChemEx HY-B1199 Nialamide 298.143 O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 NOIIUHRQUVNIDD-UHFFFAOYSA-N 4472 BRD-K12102668-001-25-5 nialamide 0 95.02 MicroSource 1505986 NIALAMIDE 298.143 O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 NOIIUHRQUVNIDD-UHFFFAOYSA-N 4472 BRD-K12102668-001-24-8 nialamide 0 92.62 Selleck S4342 Nialamide 298.143 O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 NOIIUHRQUVNIDD-UHFFFAOYSA-N 4472 BRD-A85876464-003-02-9 nibentan 0 93.92 Vitas-M STL069536 N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide 383.221 "CCN(CC)CCCC[C@@H](NC(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |&1:9,r|" YRFYIORBFFGPPZ-OAQYLSRUSA-N 1552287 BRD-A85876464-001-01-5 nibentan 0 96.69 Vitas-M STL069536 383.221 "CCN(CC)CCCC[C@@H](NC(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |&1:9,r|" YRFYIORBFFGPPZ-OAQYLSRUSA-N 1552287 BRD-K00003382-001-01-9 nicainoprol 0 91.7 MedChemEx HY-100572 Nicainoprol 369.205 "CC(C)NC[C@H](O)COc1cccc2CCCN(C(=O)c3cccnc3)c12 |&1:5,r|" AUIHHZBJBKRDIE-SFHVURJKSA-N 76956332 BRD-A86871940-001-02-9 nicaraven 0 96.4 MedChemEx HY-100592 Nicaraven 284.127 "C[C@@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1 |&1:1,r|" KTXBOOWDLPUROC-NSHDSACASA-N 1598447 BRD-A86871940-001-01-9 nicaraven 0 96.43 Selleck S4265 Nicaraven 284.127 "C[C@@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1 |&1:1,r|" KTXBOOWDLPUROC-NSHDSACASA-N 1598447 BRD-A26711594-003-10-6 nicardipine 0 97.24 MicroSource 1501135 NICARDIPINE HYDROCHLORIDE 479.206 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |r,c:4,9|" ZBBHBTPTTSWHBA-XMMPIXPASA-N 6603948 BRD-A26711594-003-08-0 nicardipine 0 92.02 Selleck S4181 Nicardipine HCl 479.206 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |r,c:4,9|" ZBBHBTPTTSWHBA-XMMPIXPASA-N 6603948 BRD-K76810206-001-07-3 nicergoline 0 96.16 MicroSource 1501133 NICERGOLINE 483.116 CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 YSEXMKHXIOCEJA-FVFQAYNVSA-N 34040 BRD-K76810206-001-10-9 nicergoline 0 95.41 Tocris 604 Nicergoline 483.116 CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 YSEXMKHXIOCEJA-FVFQAYNVSA-N 34040 BRD-K76810206-001-08-1 nicergoline 0 85.89 Tocris 604 Nicergoline 483.116 CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 YSEXMKHXIOCEJA-FVFQAYNVSA-N 34040 BRD-A58096341-001-01-2 BRD-K11256763-001-01-5 niceritrol 0 97.86 Kemprotec 5/3/68 "3-[(3-pyridinylcarbonyl)oxy]-2,2-bis{[(3-pyridinylcarbonyl)oxy]methyl}propyl nicotinate" 556.159 O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1 KUEUWHJGRZKESU-UHFFFAOYSA-N 4476 BRD-K35960502-001-20-0 niclosamide 0 97.63 MicroSource 1503265 NICLOSAMIDE 325.986 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O RJMUSRYZPJIFPJ-UHFFFAOYSA-N 4477 BRD-K35960502-001-19-2 niclosamide 0 96.43 Selleck S3030 Niclosamide (Niclocide) 325.986 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O RJMUSRYZPJIFPJ-UHFFFAOYSA-N 4477 BRD-K00003262-001-01-9 nicodicosapent 0 90.76 MedChemEx HY-17640 Nicodicosapent 449.304 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCNC(=O)c1cccnc1 YYQALOWPCKMFDQ-JLNKQSITSA-N 50991753 BRD-K97752965-001-15-6 nicorandil 0 0 MicroSource 1506025 NICORANDIL 211.059 [O-][N+](=O)OCCNC(=O)c1cccnc1 LBHIOVVIQHSOQN-UHFFFAOYSA-N 47528 BRD-K97752965-001-14-9 nicorandil 0 0 Tocris 2147 Nicorandil 211.059 [O-][N+](=O)OCCNC(=O)c1cccnc1 LBHIOVVIQHSOQN-UHFFFAOYSA-N 47528 BRD-K97752965-001-18-9 nicorandil 0 85.4 Tocris 2147 Nicorandil 211.059 [O-][N+](=O)OCCNC(=O)c1cccnc1 LBHIOVVIQHSOQN-UHFFFAOYSA-N 47528 BRD-K97752965-001-13-1 nicorandil 0 0 Selleck S1971 Nicorandil 211.059 [O-][N+](=O)OCCNC(=O)c1cccnc1 LBHIOVVIQHSOQN-UHFFFAOYSA-N 47528 BRD-K97752965-001-16-4 nicorandil 0 93 Selleck S1971 Nicorandil (Ikorel) 211.059 [O-][N+](=O)OCCNC(=O)c1cccnc1 LBHIOVVIQHSOQN-UHFFFAOYSA-N 47528 BRD-K28912512-001-24-0 nicotinamide 0 9.77 MicroSource 1505397 NIACINAMIDE 122.048 NC(=O)c1cccnc1 DFPAKSUCGFBDDF-UHFFFAOYSA-N 936 BRD-K28912512-001-25-7 nicotinamide 0 96.39 Selleck S1899 Nicotinamide (Niacinamide) 122.048 NC(=O)c1cccnc1 DFPAKSUCGFBDDF-UHFFFAOYSA-N 936 BRD-K28912512-001-23-2 nicotinamide 0 86.58 Selleck S1899 Nicotinamide (Vitamin B3) 122.048 NC(=O)c1cccnc1 DFPAKSUCGFBDDF-UHFFFAOYSA-N 936 BRD-K05395900-322-05-4 nicotine 0 87.94 MicroSource 2300259 NICOTINE BITARTRATE 162.116 CN1CCC[C@H]1c1cccnc1 SNICXCGAKADSCV-JTQLQIEISA-N 89594 BRD-K76600340-045-04-9 nicotinyl-alcohol-tartrate 0 88.02 MicroSource 1503038 NICOTINYL ALCOHOL TARTRATE 109.053 OCc1cccnc1 MVQVNTPHUGQQHK-UHFFFAOYSA-N 7510 BRD-K76600340-001-06-9 nicotinyl-alcohol-tartrate 0 92.65 MedChemEx HY-B0893 3-Pyridinemethanol 109.053 OCc1cccnc1 MVQVNTPHUGQQHK-UHFFFAOYSA-N 7510 BRD-K17617556-001-01-3 NIDA-41020 0 97.58 Tocris 3921 NIDA 41020 458.128 COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 KWDBQJRWPWTGPF-UHFFFAOYSA-N 11037861 BRD-K17617556-001-02-9 NIDA-41020 0 97.2 Tocris 3921 NIDA 41020 458.128 COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 KWDBQJRWPWTGPF-UHFFFAOYSA-N 11037861 BRD-K96354014-001-29-4 nifedipine 0 96.3 MedChemEx HY-B0284 Nifedipine 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K96354014-001-27-8 nifedipine 0 51.61 MedChemEx HY-B0284 Nifedipine 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K96354014-001-15-3 nifedipine 0 2.68 Tocris 1075 Nifedipine 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K96354014-001-21-1 nifedipine 0 7.28 Selleck S1808 Nifedipine (Adalat) 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K96354014-001-17-9 nifedipine 0 40.86 MicroSource 1500431 NIFEDIPINE 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K96354014-001-14-6 nifedipine 0 7.58 Selleck S1808 Nifedipine 346.116 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|" HYIMSNHJOBLJNT-UHFFFAOYSA-N 4485 BRD-K32311154-001-01-0 nifekalant 0 94.25 Prestwick Prestw-1774 Nifekalant 405.201 Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O OEBPANQZQGQPHF-UHFFFAOYSA-N 4486 BRD-A21280314-001-06-8 nifenalol 0 87.38 Enamine Z56755859 2-(isopropylamino)-1-(4-nitrophenyl)ethanol 224.116 "CC(C)NC[C@@H](O)c1ccc(cc1)[N+]([O-])=O |&1:5,r|" UAORFCGRZIGNCI-LLVKDONJSA-N 202035 BRD-K47407372-001-16-3 nifenazone 0 97.85 Selleck S4401 Nifenazone 308.127 Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C BRZANEXCSZCZCI-UHFFFAOYSA-N 4487 BRD-K47407372-001-17-1 nifenazone 0 99.25 MicroSource 1503230 NIFENAZONE 308.127 Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C BRZANEXCSZCZCI-UHFFFAOYSA-N 4487 BRD-K47407372-001-19-9 nifenazone 0 94.09 MedChemEx HY-17475 Nifenazone 308.127 Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C BRZANEXCSZCZCI-UHFFFAOYSA-N 4487 BRD-K98763141-001-30-8 niflumic-acid 0 97.55 MicroSource 1502015 NIFLUMIC ACID 282.062 OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F JZFPYUNJRRFVQU-UHFFFAOYSA-N 4488 BRD-K98763141-001-29-0 niflumic-acid 0 97.25 Selleck S3018 Niflumic acid 282.062 OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F JZFPYUNJRRFVQU-UHFFFAOYSA-N 4488 BRD-K98763141-001-32-9 niflumic-acid 0 83.83 Tocris 4112 Niflumic acid 282.062 OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F JZFPYUNJRRFVQU-UHFFFAOYSA-N 4488 BRD-K68188368-001-09-4 nifuroxazide 0 97.42 MicroSource 1505788 NIFUROXAZIDE 275.054 Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O YCWSUKQGVSGXJO-NTUHNPAUSA-N 5337997 BRD-K68188368-001-08-6 nifuroxazide 0 88.01 Selleck S4182 Nifuroxazide 275.054 Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O YCWSUKQGVSGXJO-NTUHNPAUSA-N 5337997 BRD-K68188368-001-11-0 nifuroxazide 0 98.14 Selleck S4182 Nifuroxazide 275.054 Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O YCWSUKQGVSGXJO-NTUHNPAUSA-N 5337997 BRD-K85757157-001-02-9 nifursol 0 91.98 MedChemEx HY-B1703 Nifursol 365.024 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O XXUXXCZCUGIGPP-WLRTZDKTSA-N 9570327 BRD-K85757157-001-01-7 nifursol 0 96.23 MicroSource 1502316 NIFURSOL 365.024 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O XXUXXCZCUGIGPP-WLRTZDKTSA-N 9570327 BRD-A84020532-001-08-9 nifurtimox 0 88.24 Sigma MFCD00869254 Nifurtimox 287.058 "C[C@H]1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O |&1:1,r|" ARFHIAQFJWUCFH-KIFNTFBYSA-N 6604371 BRD-K01825503-003-03-9 niguldipine-(R)-(-) 0 90.73 Tocris 1124 (R)-(-)-Niguldipine hydrochloride 609.284 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|" SVJMLYUFVDMUHP-MGBGTMOVSA-N 6918097 BRD-K59333713-003-03-8 niguldipine-(S)-(+) 0 94.55 Tocris 1123 (S)-(+)-Niguldipine hydrochloride 609.284 "COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|" SVJMLYUFVDMUHP-XIFFEERXSA-N 60602 BRD-K59333713-003-04-9 niguldipine-(S)-(+) 0 91.51 Tocris 1123 (S)-(+)-Niguldipine hydrochloride 609.284 "COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|" SVJMLYUFVDMUHP-XIFFEERXSA-N 60602 BRD-K59333713-003-02-0 niguldipine-(S)-(+) 0 87.83 Tocris 1123 (S)-(+)-Niguldipine hydrochloride 609.284 "COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|" SVJMLYUFVDMUHP-XIFFEERXSA-N 60602 BRD-K91544578-001-04-9 nikethamide 0 89.13 MedChemEx HY-B1280 Nikethamide 178.111 CCN(CC)C(=O)c1cccnc1 NCYVXEGFNDZQCU-UHFFFAOYSA-N 5497 BRD-K91544578-001-03-8 nikethamide 0 96.18 MicroSource 1506157 NIKETHAMIDE 178.111 CCN(CC)C(=O)c1cccnc1 NCYVXEGFNDZQCU-UHFFFAOYSA-N 5497 BRD-K81528515-001-15-9 nilotinib 0 98.83 MedChemEx HY-10159 Nilotinib 529.184 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F HHZIURLSWUIHRB-UHFFFAOYSA-N 644241 BRD-K81528515-001-13-8 nilotinib 0 98.71 Selleck S1033 Nilotinib (AMN-107) 529.184 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F HHZIURLSWUIHRB-UHFFFAOYSA-N 644241 BRD-K23566484-001-15-1 nilutamide 0 99.22 MicroSource 1504152 NILUTAMIDE 317.062 CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O XWXYUMMDTVBTOU-UHFFFAOYSA-N 4493 BRD-K23566484-001-14-4 nilutamide 0 98.06 Tocris 1759 Nilutamide 317.062 CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O XWXYUMMDTVBTOU-UHFFFAOYSA-N 4493 BRD-K23566484-001-16-9 nilutamide 0 94.85 Tocris 1759 Nilutamide 317.062 CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O XWXYUMMDTVBTOU-UHFFFAOYSA-N 4493 BRD-A84687895-001-05-9 nilvadipine 0 91.35 MedChemEx HY-14284 Nilvadipine 385.127 "COC(=O)C1=C(NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N |&1:10,r,c:8,t:4|" FAIIFDPAEUKBEP-INIZCTEOSA-N 10340038 BRD-A84687895-001-03-2 nilvadipine 0 84.73 Selleck S2721 385.127 "COC(=O)C1=C(NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N |&1:10,r,c:8,t:4|" FAIIFDPAEUKBEP-INIZCTEOSA-N 10340038 BRD-A84687895-001-04-0 nilvadipine 0 90.2 Selleck S2721 385.127 "COC(=O)C1=C(NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N |&1:10,r,c:8,t:4|" FAIIFDPAEUKBEP-INIZCTEOSA-N 10340038 BRD-K00003331-001-01-9 NIM811 0 87.81 MedChemEx HY-P0025 NIM811 1201.841 [H][C@]1(NC(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C RPJPZDVUUKWPGT-FOIHOXPVSA-N 6473876 BRD-K76775527-001-30-2 nimesulide 0 99.29 MicroSource 1503231 NIMESULIDE 308.047 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O HYWYRSMBCFDLJT-UHFFFAOYSA-N 4495 BRD-K76775527-001-29-4 nimesulide 0 98.22 Tocris 2470 Nimesulide 308.047 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O HYWYRSMBCFDLJT-UHFFFAOYSA-N 4495 BRD-K76775527-001-28-6 nimesulide 0 97.28 Selleck S2040 Nimesulide 308.047 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O HYWYRSMBCFDLJT-UHFFFAOYSA-N 4495 BRD-K76775527-001-32-9 nimesulide 0 95.55 Tocris 2470 Nimesulide 308.047 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O HYWYRSMBCFDLJT-UHFFFAOYSA-N 4495 BRD-A58048407-001-20-4 nimodipine 0 91.74 MicroSource 1503600 NIMODIPINE 418.174 "COCCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |r,c:7,12|" UIAGMCDKSXEBJQ-LJQANCHMSA-N 157132 BRD-A58048407-001-17-0 nimodipine 0 90.17 Selleck S1747 Nimodipine 418.174 "COCCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |r,c:7,12|" UIAGMCDKSXEBJQ-LJQANCHMSA-N 157132 BRD-A58048407-001-18-8 nimodipine 0 93.03 Tocris 600 Nimodipine 418.174 "COCCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |r,c:7,12|" UIAGMCDKSXEBJQ-LJQANCHMSA-N 157132 BRD-K79145628-001-05-5 nimorazole 0 96.86 MedChemEx HY-16349 Nimorazole 226.107 [O-][N+](=O)c1cncn1CCN1CCOCC1 MDJFHRLTPRPZLY-UHFFFAOYSA-N 23009 BRD-K79145628-001-07-9 nimorazole 0 94.17 MedChemEx HY-16349 Nimorazole 226.107 [O-][N+](=O)c1cncn1CCN1CCOCC1 MDJFHRLTPRPZLY-UHFFFAOYSA-N 23009 BRD-K13240081-001-06-1 nimustine 0 37.86 MicroSource 1504151 NIMUSTINE 272.079 Cc1ncc(CNC(=O)N(CCCl)[NH2+][O-])c(N)n1 QMAZPCHGABINAB-UHFFFAOYSA-N 129009979 BRD-K13240081-003-06-7 nimustine 0 0 Sigma MFCD01676942 5-[({[1-(2-chloroethyl)-2-oxohydrazino]carbonyl}amino)methyl]-2-methyl-4-pyrimidinamine hydrochloride 272.079 Cc1ncc(CNC(=O)N(CCCl)[NH2+][O-])c(N)n1 QMAZPCHGABINAB-UHFFFAOYSA-N 129009979 BRD-K00003476-075-01-9 ningetinib-tosylate 0 81.78 MedChemEx HY-107145 Ningetinib Tosylate 556.212 Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C VQYYQSZNRVQLIS-UHFFFAOYSA-N 60165029 BRD-K49075727-001-09-3 nintedanib 0 90.8 Selleck S1010 BIBF1120 (Vargatef) 539.253 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 XZXHXSATPCNXJR-ZIADKAODSA-N BRD-K49075727-001-08-5 nintedanib 0 89.95 Selleck S1010 Nintedanib (BIBF 1120) 539.253 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 XZXHXSATPCNXJR-ZIADKAODSA-N BRD-K54955827-001-02-2 niraparib 0 95.87 MedChemEx HY-10619 MK-4827 320.164 NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 PCHKPVIQAHNQLW-CQSZACIVSA-N 24958200 BRD-K54955827-001-01-4 niraparib 0 73.95 MedChemEx HY-10619 MK-4827 320.164 NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 PCHKPVIQAHNQLW-CQSZACIVSA-N 24958200 BRD-K53123955-001-10-5 niridazole 0 94.95 Prestwick Prestw-469 Niridazole 214.016 [O-][N+](=O)c1cnc(s1)N1CCNC1=O RDXLYGJSWZYTFJ-UHFFFAOYSA-N 6093 BRD-A41063939-001-01-0 nisin 0 Cayman 16532 3351.545 "CC[C@@H](C)[C@@H](N)C(=O)N\C(=C/C)C(=O)N[C@H]1CSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@H]1[C@@H](C)SC[C@@H](NC(=O)CNC(=O)[C@H]2CCCN2C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1[C@@H](C)SC[C@@H](NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1[C@@H](C)SC[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](C)NC1=O)[C@@H](C)SC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C(=O)N[C@@H](CCCCN)C(O)=O |&1:2,&2:4,&3:15,&4:19,&5:23,&6:36,&7:40,&8:47,&9:48,&10:52,&12:70,&13:79,&14:80,&15:84,&16:92,&17:100,&18:108,&19:120,&20:128,&21:136,&22:145,&23:146,&24:150,&25:154,&26:158,&28:167,&29:171,&30:184,&31:190,&32:191,&33:198,&34:208,&35:220,r|" NVNLLIYOARQCIX-GSJOZIGCSA-N 16130280 BRD-U59029435-000-01-7 BRD-A84465106-001-05-3 nisoldipine 0 0.12 MicroSource 1505390 NISOLDIPINE 388.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |r,c:4,9|" VKQFCGNPDRICFG-GOSISDBHSA-N 28248400 BRD-A84465106-001-09-5 nisoldipine 0 86.15 MedChemEx HY-17402 Nisoldipine 388.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |r,c:4,9|" VKQFCGNPDRICFG-GOSISDBHSA-N 28248400 BRD-A84465106-001-08-7 nisoldipine 0 65.89 MedChemEx HY-17402 Nisoldipine 388.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |r,c:4,9|" VKQFCGNPDRICFG-GOSISDBHSA-N 28248400 BRD-A84465106-001-03-8 nisoldipine 0 0.13 Selleck S1748 Nisoldipine 388.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |r,c:4,9|" VKQFCGNPDRICFG-GOSISDBHSA-N 28248400 BRD-A84465106-001-06-1 nisoldipine 0 36 Selleck S1748 Nisoldipine 388.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |r,c:4,9|" VKQFCGNPDRICFG-GOSISDBHSA-N 28248400 BRD-K01825513-003-03-9 nisoxetine 0 88.54 Tocris 1025 Nisoxetine hydrochloride 271.157 "CNCC[C@@H](Oc1ccccc1OC)c1ccccc1 |&1:4,r|" ITJNARMNRKSWTA-OAHLLOKOSA-N 10107248 BRD-K56707426-001-02-0 nitarsone 0 89.7 MicroSource 1506182 NITARSONE 246.946 O[As](O)(=O)c1ccc(cc1)[N+]([O-])=O FUUFQLXAIUOWML-UHFFFAOYSA-N 66826 BRD-K56707426-001-01-2 nitarsone 0 83.43 Selleck S4413 Nitarsone 246.946 O[As](O)(=O)c1ccc(cc1)[N+]([O-])=O FUUFQLXAIUOWML-UHFFFAOYSA-N 66826 BRD-K56707426-001-03-8 nitarsone 0 100 Selleck S4413 Nitarsone 246.946 O[As](O)(=O)c1ccc(cc1)[N+]([O-])=O FUUFQLXAIUOWML-UHFFFAOYSA-N 66826 BRD-K96471533-001-08-2 nitazoxanide 0 67.96 MicroSource 1503843 NITAZOXANIDE 307.026 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O YQNQNVDNTFHQSW-UHFFFAOYSA-N 41684 BRD-K96471533-001-10-8 nitazoxanide 0 65.1 MedChemEx HY-B0217 Nitazoxanide 307.026 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O YQNQNVDNTFHQSW-UHFFFAOYSA-N 41684 BRD-K96471533-001-11-6 nitazoxanide 0 87.36 MedChemEx HY-B0217 Nitazoxanide 307.026 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O YQNQNVDNTFHQSW-UHFFFAOYSA-N 41684 BRD-K96471533-001-09-0 nitazoxanide 0 81.9 Selleck S1627 "Nitazoxanide (Alinia, Annita)" 307.026 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O YQNQNVDNTFHQSW-UHFFFAOYSA-N 41684 BRD-K96471533-001-07-4 nitazoxanide 0 35.39 Selleck S1627 Nitazoxanide 307.026 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O YQNQNVDNTFHQSW-UHFFFAOYSA-N 41684 BRD-K75551531-001-01-3 nitecapone 0 31.32 Cayman 18656 "3-(3,4-dihydroxy-5-nitrobenzylidene)-2,4-pentanedione" 265.059 CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O UPMRZALMHVUCIN-UHFFFAOYSA-N 5464105 BRD-K47887731-001-01-4 nitenpyram 0 93.18 Selleck S4422 Nitenpyram 270.088 CCN(Cc1ccc(Cl)nc1)C(\NC)=C\[N+]([O-])=O CFRPSFYHXJZSBI-DHZHZOJOSA-N 3034287 BRD-K39467894-001-05-9 nithiamide 0 91.65 MicroSource 1505448 NITHIAMIDE 187.005 CC(=O)Nc1ncc(s1)[N+]([O-])=O UJRRDDHEMZLWFI-UHFFFAOYSA-N 8798 BRD-K39467894-001-04-2 nithiamide 0 89.07 Selleck S4232 Nithiamide 187.005 CC(=O)Nc1ncc(s1)[N+]([O-])=O UJRRDDHEMZLWFI-UHFFFAOYSA-N 8798 BRD-K39467894-001-06-7 nithiamide 0 100 Selleck S4232 Nithiamide 187.005 CC(=O)Nc1ncc(s1)[N+]([O-])=O UJRRDDHEMZLWFI-UHFFFAOYSA-N 8798 BRD-K01109406-001-03-7 nitisinone 0 77.59 Enzo AC3204 NITISINONE 329.051 OC(=C1C(=O)CCCC1=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F PMHVFNYNPNKNRO-UHFFFAOYSA-N 5289053 BRD-K01109406-001-04-5 nitisinone 0 87.67 MedChemEx HY-B0607 Nitisinone 329.051 OC(=C1C(=O)CCCC1=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F PMHVFNYNPNKNRO-UHFFFAOYSA-N 5289053 BRD-A02006392-001-19-8 nitrendipine 0 96.27 Tocris 601 Nitrendipine 360.132 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |r,c:5,10|" PVHUJELLJLJGLN-INIZCTEOSA-N 157702 BRD-A02006392-001-17-2 nitrendipine 0 96.57 MicroSource 1503609 NITRENDIPINE 360.132 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |r,c:5,10|" PVHUJELLJLJGLN-INIZCTEOSA-N 157702 BRD-A02006392-001-15-6 nitrendipine 0 95.62 Selleck S2491 Nitrendipine 360.132 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |r,c:5,10|" PVHUJELLJLJGLN-INIZCTEOSA-N 157702 BRD-A02006392-001-16-4 nitrendipine 0 97.81 Tocris 601 Nitrendipine 360.132 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC |r,c:5,10|" PVHUJELLJLJGLN-INIZCTEOSA-N 157702 BRD-K28453807-003-12-9 nitrocaramiphen 0 87.72 Tocris 469 Nitrocaramiphen hydrochloride 334.189 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O NSHMVLOWOAQFTP-UHFFFAOYSA-N 3941250 BRD-K28453807-003-11-2 nitrocaramiphen 0 92.79 Tocris 469 Nitrocaramiphen hydrochloride 334.189 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O NSHMVLOWOAQFTP-UHFFFAOYSA-N 3941250 BRD-K00004737-001-01-9 nitroflurbiprofen 0 94.51 MedChemEx HY-U00013 Nitroflurbiprofen 361.133 "C[C@@H](C(=O)OCCCCO[N+]([O-])=O)c1ccc(c(F)c1)-c1ccccc1 |&1:1,r|" DLWSRGHNJVLJAH-CQSZACIVSA-N 67513161 BRD-K76927775-001-13-4 nitrofurantoin 0 64.69 MedChemEx HY-A0090 Nitrofurantoin 238.034 [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1 NXFQHRVNIOXGAQ-YCRREMRBSA-N 6604200 BRD-K76927775-001-11-8 nitrofurantoin 0 83.96 MedChemEx HY-A0090 Nitrofurantoin 238.034 [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1 NXFQHRVNIOXGAQ-YCRREMRBSA-N 6604200 BRD-K76927775-001-10-0 nitrofurantoin 0 65.37 MicroSource 1500433 NITROFURANTOIN 238.034 [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1 NXFQHRVNIOXGAQ-YCRREMRBSA-N 6604200 BRD-K79092138-001-13-9 nitrofurazone 0 86.28 MedChemEx HY-B0226 Nitrofurazone 198.039 NC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O IAIWVQXQOWNYOU-FPYGCLRLSA-N 5447130 BRD-K79092138-001-10-2 nitrofurazone 0 93.04 Selleck S1644 Nitrofural 198.039 NC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O IAIWVQXQOWNYOU-FPYGCLRLSA-N 5447130 BRD-K79092138-001-11-0 nitrofurazone 0 98.77 MicroSource 1500434 NITROFURAZONE 198.039 NC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O IAIWVQXQOWNYOU-FPYGCLRLSA-N 5447130 BRD-K76381435-001-09-9 nitromide 0 96.65 MedChemEx HY-B0945 Nitromide 211.023 NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O UUKWKUSGGZNXGA-UHFFFAOYSA-N 4511 BRD-K76381435-001-08-6 nitromide 0 99.72 MicroSource 1500435 NITROMIDE 211.023 NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O UUKWKUSGGZNXGA-UHFFFAOYSA-N 4511 BRD-K08927448-001-01-9 nitrosodimethylurea 0 0 Enamine Z2306534399 1-methyl-1-[(methylamino)carbonyl]-2-oxohydrazine 117.054 CNC(=O)N(C)[NH2+][O-] RCUSTCPNMVCLLN-UHFFFAOYSA-N 129010104 BRD-K97534525-001-24-3 nitroxoline 0 49.3 MedChemEx HY-B1159 Nitroxoline 190.038 Oc1ccc([N+]([O-])=O)c2cccnc12 RJIWZDNTCBHXAL-UHFFFAOYSA-N 19910 BRD-K97534525-001-23-5 nitroxoline 0 62.54 MicroSource 1506173 NITROXOLINE 190.038 Oc1ccc([N+]([O-])=O)c2cccnc12 RJIWZDNTCBHXAL-UHFFFAOYSA-N 19910 BRD-K73589491-001-13-9 nizatidine 0 93.79 MedChemEx HY-B0310 Nizatidine 331.114 CN\C(NCCSCc1csc(CN(C)C)n1)=C/[N+]([O-])=O SGXXNSQHWDMGGP-IZZDOVSWSA-N 3033637 BRD-K73589491-001-11-2 nizatidine 0 93.08 MicroSource 1505985 NIZATIDINE 331.114 CN\C(NCCSCc1csc(CN(C)C)n1)=C/[N+]([O-])=O SGXXNSQHWDMGGP-IZZDOVSWSA-N 3033637 BRD-K73589491-001-12-0 nizatidine 0 90.94 Selleck S1890 Nizatidine 331.114 CN\C(NCCSCc1csc(CN(C)C)n1)=C/[N+]([O-])=O SGXXNSQHWDMGGP-IZZDOVSWSA-N 3033637 BRD-K46652470-001-09-1 BRD-K84011460-051-01-7 nizofenone 0 99.4 AKSci 67653 412.13 CCN(CC)Cc1nccn1-c1ccc(cc1C(=O)c1ccccc1Cl)[N+]([O-])=O WZGBZLHGOVJDET-UHFFFAOYSA-N 4514 BRD-K47441935-001-01-4 NK-252 0 71.07 Tocris 5293 NK 252 285.086 O=C(NCc1ccccn1)Nc1nnc(o1)-c1ccco1 FNSCFQXZZNCDAI-UHFFFAOYSA-N 71618700 BRD-K47441935-001-02-9 NK-252 0 93.73 Tocris 5293 NK 252 285.086 O=C(NCc1ccccn1)Nc1nnc(o1)-c1ccco1 FNSCFQXZZNCDAI-UHFFFAOYSA-N 71618700 BRD-K74796838-236-01-7 NKP-1339 0 0 MedChemEx HY-16350 NKP-1339 477.886 Cl[Ru+3](Cl)(Cl)(Cl)([n+]1cc2ccccc2[nH]1)[n+]1cc2ccccc2[nH]1 KNLORLKZMHLRBH-UHFFFAOYSA-J BRD-U77299140-000-01-0 BRD-K74796838-236-02-9 NKP-1339 0 83.77 MedChemEx HY-16350 NKP-1339 477.886 Cl[Ru+3](Cl)(Cl)(Cl)([n+]1cc2ccccc2[nH]1)[n+]1cc2ccccc2[nH]1 KNLORLKZMHLRBH-UHFFFAOYSA-J BRD-A75015151-001-08-9 NKY-80 0 93.25 Tocris 5071 NKY 80 229.085 "Nc1ncc2C(=O)C[C@@H](Cc2n1)c1ccco1 |&1:8,r|" SOJUSNIBPPMLCC-SSDOTTSWSA-N 777417 BRD-A75015151-001-07-7 NKY-80 0 92.62 Tocris 5071 NKY 80 229.085 "Nc1ncc2C(=O)C[C@@H](Cc2n1)c1ccco1 |&1:8,r|" SOJUSNIBPPMLCC-SSDOTTSWSA-N 777417 BRD-A62133859-001-03-7 NLG919 0 79.93 MedChemEx HY-13983 NLG919 282.173 "O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |&1:1,&2:3,r|" YTRRAUACYORZLX-WMZOPIPTSA-N 70874604 BRD-A62133859-001-04-5 NLG919 0 75.03 MedChemEx HY-13983 IDO-IN-7 282.173 "O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |&1:1,&2:3,r|" YTRRAUACYORZLX-WMZOPIPTSA-N 70874604 BRD-A62133859-001-01-1 NLG919 0 72.87 Selleck S7111 NLG919 282.173 "O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |&1:1,&2:3,r|" YTRRAUACYORZLX-WMZOPIPTSA-N 70874604 BRD-A62133859-001-02-9 NLG919 0 74.25 Selleck S7111 NLG919 282.173 "O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |&1:1,&2:3,r|" YTRRAUACYORZLX-WMZOPIPTSA-N 70874604 BRD-K79424231-001-02-9 NM107 0 92.3 LifeChem F9995-0334 NM 107 257.101 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O PPUDLEUZKVJXSZ-VPCXQMTMSA-N 500902 BRD-K62414032-001-13-8 NMDA 0 100 Tocris 114 NMDA 147.053 CN[C@H](CC(O)=O)C(O)=O HOKKHZGPKSLGJE-GSVOUGTGSA-N 22880 BRD-A02508087-001-02-9 BRD-K62414032-001-12-0 NMDA 0 100 Selleck S7072 NMDA (N-Methyl-D-aspartic acid) 147.053 CN[C@H](CC(O)=O)C(O)=O HOKKHZGPKSLGJE-GSVOUGTGSA-N 22880 BRD-K62414032-001-15-9 NMDA 0 100 Tocris 114 NMDA 147.053 CN[C@H](CC(O)=O)C(O)=O HOKKHZGPKSLGJE-GSVOUGTGSA-N 22880 BRD-K83699324-001-01-1 NMS-1286937 0 96.61 MedChemEx HY-15828 NMS-1286937 532.216 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1 QHLVBNKYJGBCQJ-UHFFFAOYSA-N 49792852 BRD-K83699324-001-02-9 NMS-1286937 0 92.89 MedChemEx HY-15828 NMS-1286937 532.216 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1 QHLVBNKYJGBCQJ-UHFFFAOYSA-N 49792852 BRD-K26253904-001-03-1 NMS-873 0 98.64 MedChemEx HY-15713 NMS-873 520.16 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O UJGTUKMAJVCBIS-UHFFFAOYSA-N 71521142 BRD-K26253904-001-01-5 NMS-873 0 98.55 Selleck S7285 NMS-873 520.16 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O UJGTUKMAJVCBIS-UHFFFAOYSA-N 71521142 BRD-K58770988-001-01-8 NMS-E973 0 96.76 Selleck S7282 NMS-E973 454.149 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O YLQODGGPIHWTHR-UHFFFAOYSA-N 135566652 BRD-K29587137-001-01-2 BRD-K58770988-001-02-6 NMS-E973 0 97.24 Selleck S7282 NMS-E973 454.149 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O YLQODGGPIHWTHR-UHFFFAOYSA-N 135566652 BRD-K54170555-001-01-8 NMS-P715 0 96.6 MedChemEx HY-12382 NMS-P715 676.31 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21 JFOAJUGFHDCBJJ-UHFFFAOYSA-N 44556162 BRD-K00004640-001-01-9 NN-DNJ 0 100 Sigma N6414 "(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol" 289.225 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO FTSCEGKYKXESFF-LXTVHRRPSA-N 501640 BRD-K85015012-003-03-7 NNC-05-2090 0 93.44 Tocris 2747 NNC 05-2090 hydrochloride 414.231 COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 XZZYCJOGZYEPPW-UHFFFAOYSA-N 9888030 BRD-K85015012-003-02-9 NNC-05-2090 0 98.12 Tocris 2747 NNC 05-2090 hydrochloride 414.231 COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 XZZYCJOGZYEPPW-UHFFFAOYSA-N 9888030 BRD-K85015012-003-05-9 NNC-05-2090 0 96.69 Tocris 2747 NNC 05-2090 hydrochloride 414.231 COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 XZZYCJOGZYEPPW-UHFFFAOYSA-N 9888030 BRD-K78122587-300-04-3 NNC-55-0396 0 97.64 Tocris 2268 "(1S,2S)-2-{2-[[3-(1H-benzimidazol-2-yl)propyl](methyl)amino]ethyl}-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-2-naphthalenyl cyclo" 491.295 CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 VHHVPDKNKPNKHY-JDXGNMNLSA-N 9957280 BRD-K78122587-300-02-7 NNC-55-0396 0 97.01 Tocris 2268 NNC 55-0396 dihydrochloride 491.295 CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 VHHVPDKNKPNKHY-JDXGNMNLSA-N 9957280 BRD-K72904818-001-02-9 NNC-63-0532 0 97.28 Tocris 1780 NNC 63-0532 443.221 COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O AQMPIDSGLFVVPL-UHFFFAOYSA-N 9803475 BRD-K36009368-001-03-4 BRD-K72904818-001-03-9 NNC-63-0532 0 94.99 Tocris 1780 NNC 63-0532 443.221 COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O AQMPIDSGLFVVPL-UHFFFAOYSA-N 9803475 BRD-K72904818-001-01-1 NNC-63-0532 0 95.63 Tocris 1780 NNC 63-0532 443.221 COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O AQMPIDSGLFVVPL-UHFFFAOYSA-N 9803475 BRD-K36009368-001-02-6 BRD-K42221274-003-08-5 NNC-711 0 99.12 Tocris 1779 NNC 711 350.163 OC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 |t:3| NGNALWDRPKNJGR-UHFFFAOYSA-N 4515 BRD-K42221274-003-09-9 NNC-711 0 97.11 Tocris 1779 NNC 711 350.163 OC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 |t:3| NGNALWDRPKNJGR-UHFFFAOYSA-N 4515 BRD-K42221274-003-07-7 NNC-711 0 98.55 Tocris 1779 NNC 711 350.163 OC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 |t:3| NGNALWDRPKNJGR-UHFFFAOYSA-N 4515 BRD-K08807999-001-02-4 NO-ASA 0 2.28 Enzo AC1544 NO-ASA 331.069 CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+]([O-])=O)c1 IOJUJUOXKXMJNF-UHFFFAOYSA-N 119032 BRD-K08807999-001-03-9 NO-ASA 0 0 Sigma SML1669 NCX 4016 331.069 CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+]([O-])=O)c1 IOJUJUOXKXMJNF-UHFFFAOYSA-N 119032 BRD-K06753942-001-14-5 nobiletin 0 97.88 Selleck S2333 Nobiletin 402.131 COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 MRIAQLRQZPPODS-UHFFFAOYSA-N 72344 BRD-K12539581-001-25-2 nocodazole 0 94.94 Tocris 1228 Nocodazole 301.052 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 KYRVNWMVYQXFEU-UHFFFAOYSA-N 4122 BRD-K12539581-001-23-7 nocodazole 0 95.61 MicroSource 1503266 NOCODAZOLE 301.052 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 KYRVNWMVYQXFEU-UHFFFAOYSA-N 4122 BRD-K12539581-001-21-1 nocodazole 0 91.39 Selleck S2775 Nocodazole 301.052 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 KYRVNWMVYQXFEU-UHFFFAOYSA-N 4122 BRD-K12539581-001-22-9 nocodazole 0 95.25 Tocris 1228 Nocodazole 301.052 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 KYRVNWMVYQXFEU-UHFFFAOYSA-N 4122 BRD-K36636143-001-01-0 nolatrexed 0 95.58 AvaChem 2072 2-amino-6-methyl-5-(4-pyridinylsulfanyl)-4(3H)-quinazolinone 284.073 Cc1ccc2[nH]c(N)nc(=O)c2c1Sc1ccncc1 XHWRWCSCBDLOLM-UHFFFAOYSA-N 135400184 BRD-K27351809-001-10-9 nomegestrol-acetate 0 100 Sigma MFCD00941390 Nomegestrol acetate 370.214 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O |t:9,12|" IIVBFTNIGYRNQY-YQLZSBIMSA-N 91668 BRD-K27351809-001-09-5 nomegestrol-acetate 0 96.56 Prestwick Prestw-1033 Nomegestrol acetate 370.214 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O |t:9,12|" IIVBFTNIGYRNQY-YQLZSBIMSA-N 91668 BRD-K27351809-001-11-9 nomegestrol-acetate 0 81.55 Toronto n635855 nomegestrol acetate 370.214 "CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O |t:9,12|" IIVBFTNIGYRNQY-YQLZSBIMSA-N 91668 BRD-A29644307-050-17-0 nomifensine 0 96.63 MicroSource 1503267 NOMIFENSINE MALEATE 238.147 CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 |&1:3| XXPANQJNYNUNES-AWEZNQCLSA-N 55993 BRD-A29644307-050-16-2 nomifensine 0 89.96 Selleck S4380 Nomifensine Maleate 238.147 CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 |&1:3| XXPANQJNYNUNES-AWEZNQCLSA-N 55993 BRD-A29644307-050-18-8 nomifensine 0 97.52 Selleck S4380 nomifensine maleate 238.147 CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 |&1:3| XXPANQJNYNUNES-AWEZNQCLSA-N 55993 BRD-K05907307-001-08-9 nonivamide 0 91.34 MedChemEx HY-17568 Nonivamide 293.199 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 RGOVYLWUIBMPGK-UHFFFAOYSA-N 2998 BRD-K05907307-001-07-1 nonivamide 0 92 MicroSource 1506172 NONIVAMIDE 293.199 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 RGOVYLWUIBMPGK-UHFFFAOYSA-N 2998 BRD-K88625236-001-04-2 nonoxynol-9 0 82.85 MicroSource 1505292 NONOXYNOL-9 616.419 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 FBWNMEQMRUMQSO-UHFFFAOYSA-N 72385 BRD-K88625236-001-07-5 nonoxynol-9 0 0 LKT N5655 "26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol" 616.419 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 FBWNMEQMRUMQSO-UHFFFAOYSA-N 72385 BRD-K88625236-001-05-9 nonoxynol-9 0 75.19 MedChemEx HY-B1027 Nonoxinol 9 616.419 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 FBWNMEQMRUMQSO-UHFFFAOYSA-N 72385 BRD-K36381762-300-03-5 nor-binaltorphimine 0 70.58 Tocris 347 nor-Binaltorphimine dihydrochloride 661.315 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O APSUXPSYBJVPPS-YAUKWVCOSA-N 5480230 BRD-K36381762-300-02-7 nor-binaltorphimine 0 77.38 Tocris 347 nor-Binaltorphimine dihydrochloride 661.315 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O APSUXPSYBJVPPS-YAUKWVCOSA-N 5480230 BRD-K36381762-300-04-9 nor-binaltorphimine 0 82.82 Tocris 347 nor-Binaltorphimine dihydrochloride 661.315 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O APSUXPSYBJVPPS-YAUKWVCOSA-N 5480230 BRD-K63165456-001-10-8 norcyclobenzaprine 0 97.82 Prestwick Prestw-513 Norcyclobenzaprine 261.152 CNCCC=C1c2ccccc2C=Cc2ccccc12 |c:13| XECQQDXTQRYYBH-UHFFFAOYSA-N 9918 BRD-K63165456-003-11-9 norcyclobenzaprine 0 98.26 Toronto d291560 desmethyl cyclobenzaprine hydrochloride 261.152 CNCCC=C1c2ccccc2C=Cc2ccccc12 |c:13| XECQQDXTQRYYBH-UHFFFAOYSA-N 9918 BRD-K42504537-001-01-6 norelgestromin 0 88.48 MedChemEx HY-G0018 Norgestimate metabolite Norelgestromin 327.22 CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@H]34)=N\O)[C@@H]1CC[C@@]2(O)C#C |t:9| ISHXLNHNDMZNMC-VTKCIJPMSA-N 9568628 BRD-K87349682-347-08-9 norepinephrine 0 100 MedChemEx HY-13715B Norepinephrine (bitartrate monohydrate) 169.074 NC[C@H](O)c1ccc(O)c(O)c1 SFLSHLFXELFNJZ-QMMMGPOBSA-N 439260 BRD-K87349682-347-02-0 norepinephrine 0 0 Selleck S2615 Noradrenaline bitartrate monohydrate 169.074 NC[C@H](O)c1ccc(O)c(O)c1 SFLSHLFXELFNJZ-QMMMGPOBSA-N 439260 BRD-K87349682-347-03-8 norepinephrine 0 100 Selleck S2615 Noradrenaline bitartrate monohydrate (Levoph 169.074 NC[C@H](O)c1ccc(O)c(O)c1 SFLSHLFXELFNJZ-QMMMGPOBSA-N 439260 BRD-K87349682-001-04-9 norepinephrine 0 0 MicroSource 1500436 NOREPINEPHRINE 169.074 NC[C@H](O)c1ccc(O)c(O)c1 SFLSHLFXELFNJZ-QMMMGPOBSA-N 439260 BRD-K92073408-001-15-7 norethindrone 0 96.5 Selleck S4040 Norethindrone 298.193 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8| VIKNJXKGJWUCNN-XGXHKTLJSA-N 6230 BRD-A39415247-001-11-2|BRD-A83260288-001-01-8 BRD-K92073408-001-16-5 norethindrone 0 98.2 MicroSource 1500437 NORETHINDRONE 298.193 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8| VIKNJXKGJWUCNN-XGXHKTLJSA-N 6230 BRD-A39415247-001-10-4 BRD-K92073408-001-14-0 norethindrone 0 90.66 Selleck S4040 Norethindrone 298.193 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8| VIKNJXKGJWUCNN-XGXHKTLJSA-N 6230 BRD-K01123092-001-01-1 BRD-K96037667-001-04-9 norethindrone-acetate 0 90.57 MedChemEx HY-B1710 Norethindrone acetate 340.204 CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C |t:11| IMONTRJLAWHYGT-ZCPXKWAGSA-N 5832 BRD-K07625016-001-01-2 norethisterone-enanthate 0 96.7 AvaChem 2817 (17beta)-17-ethynyl-3-oxoestr-4-en-17-yl heptanoate 410.282 CCCCCCC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C |t:16| APTGJECXMIKIET-WOSSHHRXSA-N 229295 BRD-A00758722-001-04-9 noretynodrel 0 81.73 MicroSource 1500439 NORETHYNODREL 298.193 "C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C |a:1,18,&1:4,&2:5,&3:15,c:8|" ICTXHFFSOAJUMG-SLHNCBLASA-N 6231 BRD-K11196887-001-25-9 norfloxacin 0 92.82 MedChemEx HY-B0132 Norfloxacin 319.133 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 OGJPXUAPXNRGGI-UHFFFAOYSA-N 6919051 BRD-K11196887-001-22-0 norfloxacin 0 98.57 Selleck S1509 Norfloxacin (Norxacin) 319.133 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 OGJPXUAPXNRGGI-UHFFFAOYSA-N 6919051 BRD-K11196887-001-20-4 norfloxacin 0 83.17 Selleck S1509 Norfloxacin (Norxacin) 319.133 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 OGJPXUAPXNRGGI-UHFFFAOYSA-N 6919051 BRD-K11196887-001-21-2 norfloxacin 0 86.95 MicroSource 1500440 NORFLOXACIN 319.133 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 OGJPXUAPXNRGGI-UHFFFAOYSA-N 6919051 BRD-A79769222-001-01-3 norfluoxetine 0 95.93 Cayman 15900 3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine 295.118 "NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |&1:3,r|" WIQRCHMSJFFONW-OAHLLOKOSA-N 9797657 BRD-K38041788-001-02-9 norgestimate 0 60.91 MicroSource 1505562 NORGESTIMATE 369.23 CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@H]34)=N\O)[C@@H]1CC[C@@]2(OC(C)=O)C#C |t:9| KIQQMECNKUGGKA-NMYWJIRASA-N 6540478 BRD-A04756508-001-02-3 BRD-K38041788-001-01-1 norgestimate 0 61.05 Sigma MFCD00867874 "(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-nitroso-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate" 369.23 CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@H]34)=N\O)[C@@H]1CC[C@@]2(OC(C)=O)C#C |t:9| KIQQMECNKUGGKA-NMYWJIRASA-N 6540478 BRD-A75867198-001-01-9 BRD-A14886633-001-01-6 norgestrel 0 98.29 MicroSource 1500441 NORGESTREL 312.209 "CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |a:2,6,15,16,19,&1:5,t:9|" WWYNJERNGUHSAO-XUDSTZEESA-N 13109 BRD-K00003718-001-01-9 nornicotine 0 82.9 MedChemEx HY-W002112 3-(Pyrrolidin-2-yl)pyridine 148.1 C1CN[C@H](C1)c1cccnc1 |r| MYKUKUCHPMASKF-SECBINFHSA-N 93047 BRD-K91263825-003-23-9 nortriptyline 0 98.38 MedChemEx HY-B1417 Nortriptyline (hydrochloride) 263.167 CNCCC=C1c2ccccc2CCc2ccccc12 PHVGLTMQBUFIQQ-UHFFFAOYSA-N 4543 BRD-K91263825-003-21-4 nortriptyline 0 98.98 MicroSource 1500442 NORTRIPTYLINE HYDROCHLORIDE 263.167 CNCCC=C1c2ccccc2CCc2ccccc12 PHVGLTMQBUFIQQ-UHFFFAOYSA-N 4543 BRD-K00003706-003-01-9 norvancomycin 0 87.55 MedChemEx HY-B1924 Norvancomycin (hydrochloride) 1433.415 [H][C@@]1(C[C@](C)(N)[C@H](O)[C@H](C)O1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3([H])c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O)[C@]1([H])NC(=O)[C@]([H])(NC3=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@]([H])(NC1=O)C(O)=O NUAQIRUAZSJTAI-YRPZDAAMSA-N 10419027 BRD-K89237706-003-02-6 noscapine 0 99.16 Selleck S4363 Noscapine HCl 413.147 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 AKNNEGZIBPJZJG-MSOLQXFVSA-N 275196 BRD-K91301684-003-04-8 BRD-K89237706-001-12-9 noscapine 0 99.11 Pharmeks PHAR029677 "(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one" 413.147 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 AKNNEGZIBPJZJG-MSOLQXFVSA-N 275196 BRD-K89237706-003-11-9 noscapine 0 98.76 Tocris 1697 Noscapine hydrochloride 413.147 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 AKNNEGZIBPJZJG-MSOLQXFVSA-N 275196 BRD-K89237706-003-03-4 noscapine 0 98.8 Tocris 1697 Noscapine hydrochloride 413.147 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 AKNNEGZIBPJZJG-MSOLQXFVSA-N 275196 BRD-A51393488-003-02-7 BRD-K11411329-001-02-9 NOV-002 0 100 InterBioScreen STOCK1N-50253 (S)-2-amino-5-(((R)-3-(((R)-2-((R)-4-amino-4-carboxybutanamido)-3-((carboxymethyl)amino)-3-oxopropyl)disulfanyl)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid 612.152 N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O YPZRWBKMTBYPTK-USZNOCQGSA-N 16401161 BRD-K11411329-001-01-3 NOV-002 0 94.9 InterBioScreen STOCK1N-50253 612.152 N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O YPZRWBKMTBYPTK-USZNOCQGSA-N 16401161 BRD-K85307935-236-11-9 novobiocin 0 86.22 MedChemEx HY-B0425A Novobiocin (Sodium) 612.232 CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C YJQPYGGHQPGBLI-KGSXXDOSSA-N 54675769 BRD-K85307935-236-10-3 novobiocin 0 89.03 Selleck S2492 Novobiocin sodium (Albamycin) 612.232 CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C YJQPYGGHQPGBLI-KGSXXDOSSA-N 54675769 BRD-K85307935-236-09-5 novobiocin 0 87.89 MicroSource 1500444 NOVOBIOCIN SODIUM 612.232 CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C YJQPYGGHQPGBLI-KGSXXDOSSA-N 54675769 BRD-K85307935-236-08-7 novobiocin 0 16.97 Selleck S2492 Novobiocin Sodium 612.232 CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C YJQPYGGHQPGBLI-KGSXXDOSSA-N 54675769 BRD-K58277159-001-01-7 NPC-01 0 93.36 Sigma MFCD00051131 "(11beta)-11-hydroxyandrost-4-ene-3,17-dione" 302.188 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:9| WSCUHXPGYUMQEX-KCZNZURUSA-N 94141 BRD-K65275554-001-05-9 NPC-15199 0 97.42 Tocris 675 NPC 15199 353.163 CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O CBPJQFCAFFNICX-LJQANCHMSA-N 1549477 BRD-K65275554-001-04-7 NPC-15199 0 78.5 Tocris 675 NPC 15199 353.163 CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O CBPJQFCAFFNICX-LJQANCHMSA-N 1549477 BRD-K89272762-001-13-5 NPPB 0 96.91 Tocris 593 NPPB 300.111 OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O WBSMIPAMAXNXFS-UHFFFAOYSA-N 4549 BRD-K89272762-001-14-9 NPPB 0 96.2 Tocris 593 NPPB 300.111 OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O WBSMIPAMAXNXFS-UHFFFAOYSA-N 4549 BRD-K89272762-001-12-7 NPPB 0 98.44 Tocris 593 NPPB 300.111 OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O WBSMIPAMAXNXFS-UHFFFAOYSA-N 4549 BRD-K75506300-003-01-2 NPS-2143 0 98.14 Tocris 3626 NPS 2143 hydrochloride 408.16 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N PZUJQWHTIRWCID-HXUWFJFHSA-N 6918446 BRD-K75506300-001-01-6 NPS-2143 0 97.04 Selleck S2633 NPS-2143 408.16 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N PZUJQWHTIRWCID-HXUWFJFHSA-N 6918446 BRD-K75506300-003-02-9 NPS-2143 0 98.55 Tocris 3626 NPS 2143 hydrochloride 408.16 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N PZUJQWHTIRWCID-HXUWFJFHSA-N 6918446 BRD-K00004686-001-01-9 NPS-2407 0 79.88 AMS A002829001 N-(2-methyl-1-phenylpropan-2-yl)quinoxaline-2-carboxamide 305.153 CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 DQEWVIJXZPUPQA-UHFFFAOYSA-N 9948445 BRD-K95600043-001-02-3 NPY-5RA972 0 93.27 Tocris 3677 NPY 5RA972 351.195 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12 ZNFMHLDBJPAFEQ-UHFFFAOYSA-N 9884833 BRD-K95600043-001-01-5 NPY-5RA972 0 95.24 Tocris 3677 NPY 5RA972 351.195 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12 ZNFMHLDBJPAFEQ-UHFFFAOYSA-N 9884833 BRD-K95600043-001-03-9 NPY-5RA972 0 93.91 Tocris 3677 NPY 5RA972 351.195 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12 ZNFMHLDBJPAFEQ-UHFFFAOYSA-N 9884833 BRD-K61918008-001-07-1 NQDI-1 0 96.79 MedChemEx HY-19566 NQDI-1 319.084 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 UFJGFNHRMPMALC-UHFFFAOYSA-N 5522952 BRD-K21865955-003-01-5 NS-018 0 92.62 MedChemEx HY-19631B NS-018 (hydrochloride) 389.176 C[C@H](Nc1cc(cc(Nc2cnccn2)n1)-c1cnn(C)c1)c1ccc(F)cc1 UQTPDWDAYHAZNT-AWEZNQCLSA-N 46866319 BRD-K94342292-001-02-9 NS-11021 0 38.32 Tocris 4788 NS 11021 509.97 FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nn[nH]n2)cc(c1)C(F)(F)F MDKAFDIKYQMOMF-UHFFFAOYSA-N 24825677 BRD-K94342292-001-01-3 NS-11021 0 0 Tocris 4788 NS 11021 509.97 FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nn[nH]n2)cc(c1)C(F)(F)F MDKAFDIKYQMOMF-UHFFFAOYSA-N 24825677 BRD-K00004548-001-01-9 NS-11394 0 98.14 Sigma MFCD14635200 "3'-[5-(1-hydroxy-1-methylethyl)-1H-benzimidazol-1-yl][1,1'-biphenyl]-2-carbonitrile" 353.153 CC(C)(O)c1ccc2n(cnc2c1)-c1cccc(c1)-c1ccccc1C#N HLKYSQGBIIIQJN-UHFFFAOYSA-N 16747643 BRD-K73738482-001-02-5 NS-1643 0 91.34 Tocris 3062 NS 1643 380.06 Oc1ccc(cc1NC(=O)Nc1cc(ccc1O)C(F)(F)F)C(F)(F)F NJFVQMRYJZHGME-UHFFFAOYSA-N 10177784 BRD-K73738482-001-01-7 NS-1643 0 95.1 Stanley NS-1643 380.06 Oc1ccc(cc1NC(=O)Nc1cc(ccc1O)C(F)(F)F)C(F)(F)F NJFVQMRYJZHGME-UHFFFAOYSA-N 10177784 BRD-K03808106-001-01-9 NS-19504 0 84.54 Tocris 5276 NS 19504 267.967 Nc1ncc(Cc2ccc(Br)cc2)s1 HGWLTZOMQZIUBW-UHFFFAOYSA-N 727750 BRD-K03808106-001-02-9 NS-19504 0 92.11 Tocris 5276 NS 19504 267.967 Nc1ncc(Cc2ccc(Br)cc2)s1 HGWLTZOMQZIUBW-UHFFFAOYSA-N 727750 BRD-K00004295-001-01-9 NS-309 0 94.59 Tocris 3895 NS 309 229.965 O\N=C1/C(=O)Nc2c1ccc(Cl)c2Cl CVOUSAVHMDXCKG-UHFFFAOYSA-N BRD-K24434292-001-02-1 NS-3623 0 86.42 Tocris 4462 NS 3623 426.005 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Br)cc2-c2nn[nH]n2)c1 JXPULDIATMTIIN-UHFFFAOYSA-N 9954236 BRD-K24434292-001-01-3 NS-3623 0 96.49 Stanley NS-3623 426.005 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Br)cc2-c2nn[nH]n2)c1 JXPULDIATMTIIN-UHFFFAOYSA-N 9954236 BRD-K00004309-051-01-9 NS-3861 0 78.64 Tocris 4831 NS 3861 283.003 "CN1[C@@H]2CC[C@H]1C=C(C2)c1sccc1Br |&1:2,5,c:7|" ZJCNRVHZJADROC-VHSXEESVSA-N BRD-K93314017-001-01-7 NS-5806 0 85.92 Tocris 4166 NS 5806 571.903 FC(F)(F)c1cc(NC(=O)Nc2c(Br)cc(Br)cc2-c2nn[nH]n2)cc(c1)C(F)(F)F UZWJWROOLOOCPQ-UHFFFAOYSA-N 11642685 BRD-K93314017-001-02-9 NS-5806 0 94.89 Tocris 4166 NS 5806 571.903 FC(F)(F)c1cc(NC(=O)Nc2c(Br)cc(Br)cc2-c2nn[nH]n2)cc(c1)C(F)(F)F UZWJWROOLOOCPQ-UHFFFAOYSA-N 11642685 BRD-K22667752-001-01-3 NS-8 0 40.47 Enamine Z2306534448 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile 215.086 Cc1c([nH]c(N)c1C#N)-c1ccccc1F KVDWOQGDMAEJLM-UHFFFAOYSA-N 10176749 BRD-K34624869-003-02-9 NS-8593 0 96.23 Tocris 4597 NS 8593 hydrochloride 263.142 C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1 XZIZUQSOFMLIIR-CQSZACIVSA-N 11587013 BRD-K34624869-003-01-6 NS-8593 0 97.22 Tocris 4597 NS 8593 hydrochloride 263.142 C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1 XZIZUQSOFMLIIR-CQSZACIVSA-N 11587013 BRD-K40176866-001-02-9 NS-9283 0 97.5 Tocris 5112 NS 9283 248.07 N#Cc1cccc(c1)-c1nc(no1)-c1cccnc1 HGFXDSQLRSWUBO-UHFFFAOYSA-N 11998180 BRD-K40176866-001-01-6 NS-9283 0 97.98 Tocris 5112 NS 9283 248.07 N#Cc1cccc(c1)-c1nc(no1)-c1cccnc1 HGFXDSQLRSWUBO-UHFFFAOYSA-N 11998180 BRD-K01826800-305-08-9 NSC-23766 0 82.99 Tocris 2161 NSC 23766 529.225 CCN(CC)CCC[C@@H](C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |&1:8| DEFBCZWQLILOJF-MRXNPFEDSA-N 7959890 BRD-K01826800-305-11-9 NSC-23766 0 95.29 Selleck S8031 NSC 23766 529.225 CCN(CC)CCC[C@@H](C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |&1:8| DEFBCZWQLILOJF-MRXNPFEDSA-N 7959890 BRD-K01826800-305-13-9 NSC-23766 0 91.21 Tocris 2161 NSC 23766 529.225 CCN(CC)CCC[C@@H](C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |&1:8| DEFBCZWQLILOJF-MRXNPFEDSA-N 7959890 BRD-K01826800-305-07-9 NSC-23766 0 78.07 Selleck S8031 NSC 23766 529.225 CCN(CC)CCC[C@@H](C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |&1:8| DEFBCZWQLILOJF-MRXNPFEDSA-N 7959890 BRD-K99170882-001-07-9 NSC-319726 0 92.49 Tocris 5065 NSC 319726 234.094 C\C(=N/NC(=S)N1CCC1)c1ccccn1 XDHBUMNIQRLHGO-UKTHLTGXSA-N 5351307 BRD-K99170882-001-04-3 NSC-319726 0 75.73 Selleck S7149 NSC 319726 234.094 C\C(=N/NC(=S)N1CCC1)c1ccccn1 XDHBUMNIQRLHGO-UKTHLTGXSA-N 5351307 BRD-K99170882-001-06-8 NSC-319726 0 84.67 Tocris 5065 NSC 319726 234.094 C\C(=N/NC(=S)N1CCC1)c1ccccn1 XDHBUMNIQRLHGO-UKTHLTGXSA-N 5351307 BRD-K99170882-001-05-0 NSC-319726 0 95.41 Selleck S7149 NSC319726 234.094 C\C(=N/NC(=S)N1CCC1)c1ccccn1 XDHBUMNIQRLHGO-UKTHLTGXSA-N 5351307 BRD-K13169950-001-14-4 NSC-3852 0 96.22 Tocris 2521 NSC 3852 174.043 Oc1ccc(N=O)c2cccnc12 RZWRYPGAUIOOMK-UHFFFAOYSA-N 19103 BRD-A67975844-001-03-9 NSC-405020 0 95.94 Tocris 4902 NSC 405020 259.053 "CCC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 |&1:3,r|" ARDYECYBETXQFD-MRVPVSSYSA-N 879610 BRD-A67975844-001-02-6 NSC-405020 0 95.97 Tocris 4902 NSC 405020 259.053 "CCC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 |&1:3,r|" ARDYECYBETXQFD-MRVPVSSYSA-N 879610 BRD-A67975844-001-01-8 NSC-405020 0 97.07 Selleck S8072 NSC 405020 259.053 "CCC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 |&1:3,r|" ARDYECYBETXQFD-MRVPVSSYSA-N 879610 BRD-K64874225-001-05-9 NSC-4644 0 46.92 MedChemEx HY-N0083 Betulin 442.381 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 FVWJYYTZTCVBKE-ROUWMTJPSA-N 72326 BRD-K64874225-001-04-7 NSC-4644 0 100 Enzo NP030 Betulin 442.381 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 FVWJYYTZTCVBKE-ROUWMTJPSA-N 72326 BRD-K73799155-001-01-5 NSC-5844 0 96.41 MedChemEx HY-100033 NSC5844 382.075 Clc1ccc2c(NCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 SSXYXSMMVMVYEV-UHFFFAOYSA-N 221354 BRD-K62949423-001-03-1 NSC-625987 0 0.34 Tocris 2152 NSC 625987 271.067 COc1ccc(OC)c2c1[nH]c1ccccc1c2=S KFAKESMKRPNZTM-UHFFFAOYSA-N 3004085 BRD-K62949423-001-04-9 NSC-625987 0 Tocris 2152 NSC 625987 271.067 COc1ccc(OC)c2c1[nH]c1ccccc1c2=S KFAKESMKRPNZTM-UHFFFAOYSA-N 3004085 BRD-K81197548-003-02-2 NSC-632839 0 81.98 Tocris 2647 NSC 632839 hydrochloride 303.162 Cc1ccc(\C=C2/CNC\C(=C/c3ccc(C)cc3)C2=O)cc1 PKCYYPHSCUSQDK-AYKLPDECSA-N 5351363 BRD-K81197548-003-01-4 NSC-632839 0 90.63 Tocris 2647 NSC 632839 hydrochloride 303.162 Cc1ccc(\C=C2/CNC\C(=C/c3ccc(C)cc3)C2=O)cc1 PKCYYPHSCUSQDK-AYKLPDECSA-N 5351363 BRD-K81197548-003-03-9 NSC-632839 0 93.86 Tocris 2647 NSC 632839 hydrochloride 303.162 Cc1ccc(\C=C2/CNC\C(=C/c3ccc(C)cc3)C2=O)cc1 PKCYYPHSCUSQDK-AYKLPDECSA-N 5351363 BRD-K61120504-001-01-6 NSC-636819 0 90.48 Tocris 5287 NSC636819 507.955 [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O YYZPXBXVBQSBDG-IJIVKGSJSA-N 6288112 BRD-K03109492-001-03-0 NSC-663284 0 96.21 Tocris 1867 NSC 663284 321.088 ClC1=C(NCCN2CCOCC2)C(=O)c2ncccc2C1=O |c:1| BMKPVDQDJQWBPD-UHFFFAOYSA-N 379077 BRD-K03109492-001-02-2 NSC-663284 0 93.78 Tocris 1867 NSC 663284 321.088 ClC1=C(NCCN2CCOCC2)C(=O)c2ncccc2C1=O |c:1| BMKPVDQDJQWBPD-UHFFFAOYSA-N 379077 BRD-K20605374-001-07-9 NSC-697923 0 90.96 Tocris 4858 NSC 697923 267.02 Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O GAUHIPWCDXOLCZ-UHFFFAOYSA-N 394449 BRD-K20605374-001-05-4 NSC-697923 0 92.89 Selleck S7142 NSC697923 267.02 Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O GAUHIPWCDXOLCZ-UHFFFAOYSA-N 394449 BRD-K20605374-001-06-2 NSC-697923 0 92.61 Tocris 4858 NSC 697923 267.02 Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O GAUHIPWCDXOLCZ-UHFFFAOYSA-N 394449 BRD-K68143200-001-11-7 NSC-95397 0 9.25 Tocris 1547 NSC 95397 310.033 OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| MAASHDQFQDDECQ-UHFFFAOYSA-N 262093 BRD-K49811169-004-06-6 NSC-9965 0 95.89 Enzo AC738 Dihydro-beta-erythroidine HBr 275.152 "CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |t:4,11|" ALSKYCOJJPXPFS-BBRMVZONSA-N 31762 BRD-K49811169-004-08-9 NSC-9965 0 100 Tocris 2349 Dihydro-beta-erythroidine hydrobromide 275.152 "CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |t:4,11|" ALSKYCOJJPXPFS-BBRMVZONSA-N 31762 BRD-K74371986-001-01-7 NSI-189 0 99.38 MedChemEx HY-13999 NSI-189 366.242 CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 DYTOQURYRYYNOR-UHFFFAOYSA-N 50922681 BRD-K74371986-001-02-9 NSI-189 0 99.05 MedChemEx HY-13999 NSI-189 366.242 CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 DYTOQURYRYYNOR-UHFFFAOYSA-N 50922681 BRD-K00004733-001-01-9 NSP-805 0 91.88 MedChemEx HY-19102 NSP-805 297.148 "CC1=C(CCC1=O)Nc1ccc(cc1)C1=C(C)CC(=O)NN1 |c:16,t:1|" VSEWBFSTIMFCDL-UHFFFAOYSA-N BRD-K54098378-001-02-4 NT157 0 50.74 MedChemEx HY-100037 NT157 410.978 Oc1cc(CNC(=S)\C=C\c2cc(O)c(O)c(Br)c2)cc(O)c1O NIPUPOUEGOSAAO-OWOJBTEDSA-N 135398520 BRD-K54098378-001-01-6 NT157 0 66.42 MedChemEx HY-100037 NT157 410.978 Oc1cc(CNC(=S)\C=C\c2cc(O)c(O)c(Br)c2)cc(O)c1O NIPUPOUEGOSAAO-OWOJBTEDSA-N 135398520 BRD-A40413915-003-01-2 NTNCB 0 97.68 Tocris 2155 NTNCB hydrochloride 471.219 "[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC[C@H]2CCc3ccccc3C2)CC1 |a:14,17,&1:21|" ISSSVYKMIIAPTH-ACRUOGEOSA-N BRD-A40413915-003-02-9 NTNCB 0 95.2 Tocris 2155 NTNCB hydrochloride 471.219 "[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC[C@H]2CCc3ccccc3C2)CC1 |a:14,17,&1:21|" ISSSVYKMIIAPTH-ACRUOGEOSA-N BRD-K07788774-001-01-0 NTRC-824 0 93.63 Tocris 5438 NTRC 824 553.149 CC(C)C[C@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O SOOLLEBJNGCDOZ-FQEVSTJZSA-N 101873359 BRD-K07788774-001-02-9 NTRC-824 0 93.07 Tocris 5438 NTRC 824 553.149 CC(C)C[C@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O SOOLLEBJNGCDOZ-FQEVSTJZSA-N 101873359 BRD-K54708045-001-03-9 nTZDpa 0 98 Tocris 2150 nTZDpa 427.02 OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 VUPOTURDKDMIGQ-UHFFFAOYSA-N 9954280 BRD-K54708045-001-02-1 nTZDpa 0 97.29 Tocris 2150 nTZDpa 427.02 OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 VUPOTURDKDMIGQ-UHFFFAOYSA-N 9954280 BRD-K54708045-001-05-9 nTZDpa 0 96.64 Tocris 2150 nTZDpa 427.02 OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 VUPOTURDKDMIGQ-UHFFFAOYSA-N 9954280 BRD-K48692744-001-03-8 NU-1025 0 92.99 Tocris 1401 NU 1025 176.059 Cc1nc(=O)c2cccc(O)c2[nH]1 YJDAOHJWLUNFLX-UHFFFAOYSA-N 135398517 BRD-K48692744-001-04-9 NU-1025 0 94.76 Tocris 1401 NU 1025 176.059 Cc1nc(=O)c2cccc(O)c2[nH]1 YJDAOHJWLUNFLX-UHFFFAOYSA-N 135398517 BRD-K48692744-001-02-0 NU-1025 0 95.84 Tocris 1401 NU 1025 176.059 Cc1nc(=O)c2cccc(O)c2[nH]1 YJDAOHJWLUNFLX-UHFFFAOYSA-N 135398517 BRD-K20976221-001-12-0 NU-2058 0 91.61 Tocris 3135 NU 2058 247.143 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 MWGXGTJJAOZBNW-UHFFFAOYSA-N 4564 BRD-K20976221-001-14-6 NU-2058 0 InterBioScreen STOCK6S-12824 6-(cyclohexylmethoxy)-9H-purin-2-amine 247.143 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 MWGXGTJJAOZBNW-UHFFFAOYSA-N 4564 BRD-K03294269-001-08-0 NU-6027 0 93.48 Selleck S7114 NU6027 251.138 Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 DGWXOLHKVGDQLN-UHFFFAOYSA-N 398148 BRD-K03294269-001-09-8 NU-6027 0 95.4 Selleck S7114 NU6027 251.138 Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 DGWXOLHKVGDQLN-UHFFFAOYSA-N 398148 BRD-K09537769-001-06-5 NU-7026 0 99.72 MedChemEx HY-15719 NU 7026 281.105 O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1 KKTZALUTXUZPSN-UHFFFAOYSA-N 9860529 BRD-K09537769-001-04-0 NU-7026 0 99.38 Tocris 2828 NU 7026 281.105 O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1 KKTZALUTXUZPSN-UHFFFAOYSA-N 9860529 BRD-K09537769-001-03-2 NU-7026 0 97.98 Selleck S2893 NU7026 281.105 O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1 KKTZALUTXUZPSN-UHFFFAOYSA-N 9860529 BRD-K00337317-001-06-6 NU-7441 0 98.07 Selleck S2638 NU7441 (KU-57788) 413.109 O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 JAMULYFATHSZJM-UHFFFAOYSA-N 11327430 BRD-K00337317-001-08-2 NU-7441 0 98.93 Focus 1063131 NU7441 413.109 O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 "InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2" 11327430 BRD-A96466199-001-01-4 nuclomedone 0 93.86 InterBioScreen STOCK6S-24941 "6-(4-chlorobenzyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-5,7(6H)-dione" 294.023 "Clc1ccc(C[C@H]2C(=O)N=C3SCCN3C2=O)cc1 |r,t:9|" QSKVYHYMQQQAFS-JTQLQIEISA-N 76972174 BRD-K00002882-001-02-9 nutlin-3 0 95.27 Tocris 3984 Nutlin-3 580.164 "COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |&1:8,9,r,t:6|" BDUHCSBCVGXTJM-WUFINQPMSA-N 11433190 BRD-K00004743-001-01-9 nuvenzepine 0 98.12 MedChemEx HY-U00119 Nuvenzepine 336.159 CN1CCC(CC1)C(=O)N1c2ccccc2NC(=O)c2cccnc12 HPKYRXAEGNUARA-UHFFFAOYSA-N 65846 BRD-K01573278-001-03-9 NVP-231 0 96.42 Tocris 3960 NVP 231 431.167 O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1 MVSSJPGNLQPWSW-UHFFFAOYSA-N 4096211 BRD-K01573278-001-02-1 NVP-231 0 97.09 MedChemEx HY-13945 NVP 231 431.167 O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1 MVSSJPGNLQPWSW-UHFFFAOYSA-N 4096211 BRD-K15179513-001-06-9 NVP-ADW742 0 94.85 Tocris 5247 NVP ADW 742 453.253 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 |r| LSFLAQVDISHMNB-AFARHQOCSA-N BRD-K15179513-001-05-9 NVP-ADW742 0 95.18 Tocris 5247 NVP ADW 742 453.253 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 |r| LSFLAQVDISHMNB-AFARHQOCSA-N BRD-K15179513-001-04-2 NVP-ADW742 0 96.14 Selleck S1088 NVP-ADW742 453.253 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 |r| LSFLAQVDISHMNB-AFARHQOCSA-N BRD-K15179513-001-03-4 NVP-ADW742 0 82.77 Selleck S1088 NVP-ADW742 453.253 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 |r| LSFLAQVDISHMNB-AFARHQOCSA-N BRD-K24696047-001-03-9 NVP-AEW541 0 96.92 MedChemEx HY-50866 NVP-AEW541 439.237 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r| AECDBHGVIIRMOI-GRGXKFILSA-N BRD-K24696047-001-02-3 NVP-AEW541 0 94.66 Selleck S1034 NVP-AEW541 439.237 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r| AECDBHGVIIRMOI-GRGXKFILSA-N BRD-K41859756-001-09-2 NVP-AUY922 0 96.22 MedChemEx HY-10215 NVP-AUY922 465.226 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O NDAZATDQFDPQBD-UHFFFAOYSA-N 135539077 BRD-K41859756-001-08-4 NVP-AUY922 0 84.58 Selleck S1069 "Luminespib (AUY-922, NVP-AUY922)" 465.226 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O NDAZATDQFDPQBD-UHFFFAOYSA-N 135539077 BRD-K41859756-001-06-8 NVP-AUY922 0 93.57 Selleck S1069 AUY922 (NVP-AUY922) 465.226 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O NDAZATDQFDPQBD-UHFFFAOYSA-N 135539077 BRD-K12184916-001-19-6 NVP-BEZ235 0 98.67 Selleck S1009 BEZ235 (NVP-BEZ235) 469.19 Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 JOGKUKXHTYWRGZ-UHFFFAOYSA-N 11977753 BRD-K12184916-001-15-4 NVP-BEZ235 0 85.4 Selleck S1009 "BEZ235 (NVP-BEZ235, Dactolisib)" 469.19 Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 JOGKUKXHTYWRGZ-UHFFFAOYSA-N 11977753 BRD-K42728290-001-09-1 NVP-BGJ398 0 74.48 LCLabs I-1500 Infigratinib 559.187 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 QADPYRIHXKWUSV-UHFFFAOYSA-N 53235510 BRD-K42728290-001-11-7 NVP-BGJ398 0 89.82 MedChemEx HY-13311 NVP-BGJ398 559.187 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 QADPYRIHXKWUSV-UHFFFAOYSA-N 53235510 BRD-K42728290-001-06-7 NVP-BGJ398 0 29.43 Selleck S2183 BGJ398 (NVP-BGJ398) 559.187 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 QADPYRIHXKWUSV-UHFFFAOYSA-N 53235510 BRD-K42728290-001-08-3 NVP-BGJ398 0 60.42 MedChemEx HY-13311 NVP-BGJ398 559.187 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 QADPYRIHXKWUSV-UHFFFAOYSA-N 53235510 BRD-K42728290-001-07-5 NVP-BGJ398 0 41.46 Selleck S2183 BGJ398 (NVP-BGJ398) 559.187 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 QADPYRIHXKWUSV-UHFFFAOYSA-N 53235510 BRD-K79259477-001-06-9 NVP-BHG712 0 94.8 MedChemEx HY-13258 NVP-BHG712 503.168 Cc1ccc(cc1Nc1nc(nc2n(C)ncc12)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F ZCCPLJOKGAACRT-UHFFFAOYSA-N 16747388 BRD-K79259477-001-04-9 NVP-BHG712 0 98.2 Selleck S2202 NVP-BHG712 503.168 Cc1ccc(cc1Nc1nc(nc2n(C)ncc12)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F ZCCPLJOKGAACRT-UHFFFAOYSA-N 16747388 BRD-K02017404-300-06-2 NVP-BSK805 0 87.6 Selleck S2686 NVP-BSK805 2HCl 490.229 Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 IBPVXAOOVUAOKJ-UHFFFAOYSA-N 46398810 BRD-K02017404-300-07-0 NVP-BSK805 0 92.69 Selleck S2686 NVP-BSK805 2HCl 490.229 Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 IBPVXAOOVUAOKJ-UHFFFAOYSA-N 46398810 BRD-K77943374-001-02-8 NVP-BVU972 0 98.35 Selleck S2761 NVP-BVU972 340.144 Cn1cc(cn1)-c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 RNCNPRCUHHDYPC-UHFFFAOYSA-N 44206063 BRD-K77943374-001-03-9 NVP-BVU972 0 96.68 MedChemEx HY-15456 NVP-BVU972 340.144 Cn1cc(cn1)-c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 RNCNPRCUHHDYPC-UHFFFAOYSA-N 44206063 BRD-K77396579-300-01-0 NVP-DPP728 0 92.57 Tocris 3506 NVP DPP 728 dihydrochloride 298.154 O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N VFFZWMWTUSXDCB-ZDUSSCGKSA-N 9796290 BRD-K77396579-300-02-9 NVP-DPP728 0 87.95 Tocris 3506 NVP DPP 728 dihydrochloride 298.154 O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N VFFZWMWTUSXDCB-ZDUSSCGKSA-N 9796290 BRD-K67915505-001-01-2 NVP-HSP990 0 94.87 MedChemEx HY-15190 NVP-HSP990 379.144 COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 WSMQUUGTQYPVPD-OAHLLOKOSA-N 46216556 BRD-K21025364-001-04-9 NVP-TAE226 0 88.88 Selleck S2820 TAE226 (NVP-TAE226) 468.168 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl UYJNQQDJUOUFQJ-UHFFFAOYSA-N 9934347 BRD-K21025364-001-05-6 NVP-TAE226 0 95.2 Selleck S2820 NVP-TAE226 468.168 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl UYJNQQDJUOUFQJ-UHFFFAOYSA-N 9934347 BRD-K50140147-001-10-1 NVP-TAE684 0 96.23 Selleck S1108 TAE684 (NVP-TAE684) 613.26 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 QQWUGDVOUVUTOY-UHFFFAOYSA-N 16038120 BRD-K87454346-001-01-1 NVP-TNKS656 0 93.82 MedChemEx HY-13990 NVP-TNKS656 494.253 COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc(=O)c3COCCc3[nH]2)CC1 DYGBNAYFDZEYBA-UHFFFAOYSA-N 136237316 BRD-K28132190-001-02-0 NVS-PAK1-1 0 99.3 MedChemEx HY-100519 NVS-PAK1-1 479.17 CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |t:13| OINGHOPGNMYCAB-INIZCTEOSA-N 137125241 BRD-K46133855-304-04-9 NXY-059 0 66.5 MedChemEx HY-13244 Disufenton sodium 337.029 CC(C)(C)[N+](\[O-])=C\c1ccc(cc1S(O)(=O)=O)S(O)(=O)=O OVTCHWSLKGENKP-GHXNOFRVSA-N 6913176 BRD-K46133855-304-02-0 NXY-059 0 90.62 Selleck S6002 NXY-059 337.029 CC(C)(C)[N+](\[O-])=C\c1ccc(cc1S(O)(=O)=O)S(O)(=O)=O OVTCHWSLKGENKP-GHXNOFRVSA-N 6913176 BRD-K46133855-304-03-8 NXY-059 0 91.94 Tocris 3645 NXY 059 337.029 CC(C)(C)[N+](\[O-])=C\c1ccc(cc1S(O)(=O)=O)S(O)(=O)=O OVTCHWSLKGENKP-GHXNOFRVSA-N 6913176 BRD-K21656326-001-01-4 nystatin 0 61.91 Sigma S______N1638 "(1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriacont;a-19,21,25,27,29,31-hexaene-36-carboxylic acid" 925.503 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,52,54,56,58|" VQOXZBDYSJBXMA-MSHYPYPPSA-N BRD-K82677637-001-01-0 BRD-K21656326-001-02-2 nystatin 0 0 MedChemEx HY-17409 Nystatin 925.503 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,52,54,56,58|" VQOXZBDYSJBXMA-MSHYPYPPSA-N BRD-K33243830-001-01-6 BRD-K21656326-001-04-9 nystatin 0 75.39 MedChemEx HY-17409 Nystatin 925.503 "C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O |t:46,48,52,54,56,58|" VQOXZBDYSJBXMA-MSHYPYPPSA-N BRD-K18316707-001-03-5 O-1918 0 95.81 Tocris 2288 O-1918 286.193 COc1cc(C)cc(OC)c1[C@@H]1C=C(C)CC[C@H]1C(C)=C |t:13| ICHJMVMWPKLUKT-JKSUJKDBSA-N 40469923 BRD-K18316707-001-02-7 O-1918 0 78.26 Tocris 2288 O-1918 286.193 COc1cc(C)cc(OC)c1[C@@H]1C=C(C)CC[C@H]1C(C)=C |t:13| ICHJMVMWPKLUKT-JKSUJKDBSA-N 40469923 BRD-K18316707-001-04-9 O-1918 0 97.55 Tocris 2288 O-1918 286.193 COc1cc(C)cc(OC)c1[C@@H]1C=C(C)CC[C@H]1C(C)=C |t:13| ICHJMVMWPKLUKT-JKSUJKDBSA-N 40469923 BRD-K00003113-001-01-9 O-304 0 95.47 MedChemEx HY-112233 O-304 378.995 Clc1ccc(Cn2sc(NC(=O)c3ccc(Cl)cc3)nc2=O)cc1 WEDWLYRQKUTOAX-UHFFFAOYSA-N 50923806 BRD-K46384212-001-03-7 o-3M3FBS 0 98.61 Tocris 1942 o-3M3FBS 343.085 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1C(F)(F)F SKJJIFRWCCSXGL-UHFFFAOYSA-N 770820 BRD-K46384212-001-04-9 o-3M3FBS 0 96.89 Tocris 1942 o-3M3FBS 343.085 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1C(F)(F)F SKJJIFRWCCSXGL-UHFFFAOYSA-N 770820 BRD-K46384212-001-02-9 o-3M3FBS 0 98.98 Tocris 1942 o-3M3FBS 343.085 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1C(F)(F)F SKJJIFRWCCSXGL-UHFFFAOYSA-N 770820 BRD-K63247785-001-01-5 O-acetyl-L-serine 0 96.8 Astatech 50434 (2S)-3-(acetyloxy)-2-aminopropanoic acid 147.053 CC(=O)OC[C@H](N)C(O)=O VZXPDPZARILFQX-BYPYZUCNSA-N 99478 BRD-K36998189-001-03-5 o-mercapto-benzoic-acid 0 97.04 Enamine Z1270312072 "6-thioxo-1,3-cyclohexadiene-1-carboxylic acid" 154.009 OC(=O)c1ccccc1S NBOMNTLFRHMDEZ-UHFFFAOYSA-N 5443 BRD-K53849769-001-02-9 O4I1 0 0 Tocris 5639 O4I1 253.11 COc1ccc(COc2ccc(CC#N)cc2)cc1 QJEJLARVLKHYFW-UHFFFAOYSA-N 2774690 BRD-K53849769-001-01-0 O4I1 0 0 Tocris 5639 O4I1 253.11 COc1ccc(COc2ccc(CC#N)cc2)cc1 QJEJLARVLKHYFW-UHFFFAOYSA-N 2774690 BRD-K92041145-001-09-5 O6-benzylguanine 0 98.19 CombiBlocks OR-2126 241.096 Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 KRWMERLEINMZFT-UHFFFAOYSA-N 4578 BRD-K10878147-001-04-9 OAC1 0 94.7 Tocris 4887 OAC-1 237.09 O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 HWJRIFZDXJKJJN-UHFFFAOYSA-N 789882 BRD-K10878147-001-03-0 OAC1 0 94.83 Tocris 4887 OAC-1 237.09 O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 HWJRIFZDXJKJJN-UHFFFAOYSA-N 789882 BRD-K10878147-001-02-2 OAC1 0 94.71 Selleck S7217 OAC1 237.09 O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 HWJRIFZDXJKJJN-UHFFFAOYSA-N 789882 BRD-K18305454-001-07-4 OAC2 0 97.66 MedChemEx HY-12884 OAC2 236.095 O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1 JCAFGYWSIWYMOX-UHFFFAOYSA-N 2814138 BRD-K15600710-066-04-1 obatoclax 0 75.57 Selleck S1057 Obatoclax Mesylate (GX15-070) 317.153 "COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|" RFTSSZJZXOSICM-GRSHGNNSSA-N BRD-K15600710-066-05-8 obatoclax 0 96.5 Selleck S1057 Obatoclax mesylate (GX15-070) 317.153 "COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|" RFTSSZJZXOSICM-GRSHGNNSSA-N BRD-A75838038-001-01-4 obeticholic-acid 0 67.62 Selleck S7660 Obeticholic Acid 420.324 "CC[C@H]1[C@@H](O)[C@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |&1:2,&2:3,&3:5,&4:6,&5:9,&6:10,&7:17,&8:21,&9:22,&10:26,&11:29,r|" ZXERDUOLZKYMJM-XNNZWSTBSA-N BRD-K33588785-300-02-9 obidoxime 0 94.9 Vitas-M STL371145 "1,1'-(oxybis(methylene))bis(4-(nitrosomethyl)pyridin-1-ium)" 288.122 O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 HIGRLDNHDGYWQJ-UHFFFAOYSA-P 8251 BRD-K33588785-001-01-9 obidoxime 0 100 Vitas-M STL371145 288.122 O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 HIGRLDNHDGYWQJ-UHFFFAOYSA-P 8251 BRD-K36463073-001-03-9 OC000459 0 93.19 MedChemEx HY-15342 OC000459 348.127 Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O FATGTHLOZSXOBC-UHFFFAOYSA-N 11462174 BRD-K36463073-001-01-3 OC000459 0 21.45 Selleck S2822 OC000459 348.127 Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O FATGTHLOZSXOBC-UHFFFAOYSA-N 11462174 BRD-K36463073-001-02-1 OC000459 0 78.5 Selleck S2822 OC000459 348.127 Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O FATGTHLOZSXOBC-UHFFFAOYSA-N 11462174 BRD-K00003399-001-01-9 ocaperidone 0 95.09 MedChemEx HY-101094 Ocaperidone 420.196 Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O ZZQNEJILGNNOEP-UHFFFAOYSA-N 71351 BRD-K92524032-001-02-1 ochromycinone 0 0 AnalytiCon NP-003940 306.089 C[C@@H]1CC(=O)c2c(C1)ccc1C(=O)c3c(O)cccc3C(=O)c21 ZAWXOCUFQSQDJS-VIFPVBQESA-N 11808929 BRD-K92581468-001-01-6 ocinaplon 0 99.66 Tocris 4410 "2-pyridinyl[7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone" 301.096 O=C(c1cnn2c(ccnc12)-c1ccncc1)c1ccccn1 OQJFBUOFGHPMSR-UHFFFAOYSA-N 216456 BRD-K92581468-001-02-9 ocinaplon 0 Tocris 4410 ocinaplon 301.096 O=C(c1cnn2c(ccnc12)-c1ccncc1)c1ccccn1 OQJFBUOFGHPMSR-UHFFFAOYSA-N 216456 BRD-K22097830-001-01-9 OCO-1112 0 98.74 Enamine Z1149820700 327.147 CC(C)c1ccc(cc1)C(=O)NCCOc1ccc(cc1)C(O)=O ODLDHXPJRGNTPC-UHFFFAOYSA-N 3081027 BRD-K20501889-001-02-0 octadecan-1-ol 1 0 Ark AK114210 Octadecan-1-ol 270.292 CCCCCCCCCCCCCCCCCCO GLDOVTGHNKAZLK-UHFFFAOYSA-N 8221 BRD-K73201113-001-01-3 octamethyltrisiloxane 0 0 Sigma MFCD00008264 "1,1,1,3,3,5,5,5-octamethyltrisiloxane" 236.108 C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C CXQXSVUQTKDNFP-UHFFFAOYSA-N 24705 BRD-K04568635-300-01-4 octenidine 0 99.2 TCI O0388 550.497 CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(cc2)=NCCCCCCCC)cc1 ZVXNYZWXUADSRV-UHFFFAOYSA-N 51167 BRD-K00003688-001-01-9 octinoxate 0 97.22 MedChemEx HY-B1234 Octinoxate 290.188 CCCC[C@@H](CC)COC(=O)\C=C\c1ccc(OC)cc1 |&1:4| YBGZDTIWKVFICR-NRMKIYEFSA-N 6993341 BRD-K00003664-001-01-9 octisalate 0 98.14 MedChemEx HY-B0929 Octisalate 250.157 CCCC[C@@H](CC)COC(=O)c1ccccc1O |&1:4| FMRHJJZUHUTGKE-GFCCVEGCSA-N 1550885 BRD-K00003605-001-01-9 octocrylene 0 96.3 MedChemEx HY-A0087 Octocrylene 361.204 CCCC[C@@H](CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 |&1:4| FMJSMJQBSVNSBF-LJQANCHMSA-N 40424580 BRD-A37873789-001-01-9 octodrine 0 21.54 MicroSource 1505447 OCTODRINE 129.152 "CC(C)CCC[C@@H](C)N |&1:6,r|" QNIVIMYXGGFTAK-MRVPVSSYSA-N 6989209 BRD-A37873789-003-02-9 octodrine 0 100 MedChemEx HY-B1233A Octodrine (hydrochloride) 129.152 "CC(C)CCC[C@@H](C)N |&1:6,r|" QNIVIMYXGGFTAK-MRVPVSSYSA-N 6989209 BRD-A14240607-003-26-1 octopamine 0 100 MicroSource 1500639 OCTOPAMINE HYDROCHLORIDE 153.079 NCC(O)c1ccc(O)cc1 QHGUCRYDKWKLMG-UHFFFAOYSA-N 657354 BRD-A14240607-003-25-3 octopamine 0 0 Tocris 2242 Octopamine hydrochloride 153.079 NCC(O)c1ccc(O)cc1 QHGUCRYDKWKLMG-UHFFFAOYSA-N 657354 BRD-A14240607-003-27-9 octopamine 0 99.2 Selleck S3188 "(+,-)-Octopamine HCl" 153.079 NCC(O)c1ccc(O)cc1 QHGUCRYDKWKLMG-UHFFFAOYSA-N 657354 BRD-A14240607-003-24-6 octopamine 0 0 Selleck S3188 "(+,-)-Octopamine HCl" 153.079 NCC(O)c1ccc(O)cc1 QHGUCRYDKWKLMG-UHFFFAOYSA-N 657354 BRD-A64173453-015-03-1 octreotide 0 91 MedChemEx HY-17365 Octreotide (acetate) 1018.44 "C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |&1:1,&2:3,&3:9,&4:14,&5:18,&6:30,&7:41,&8:55,&9:64,&10:65|" DEQANNDTNATYII-KWPKQMLXSA-N BRD-A64173453-015-02-3 octreotide 0 80.2 MedChemEx HY-17365 Octreotide (acetate) 1018.44 "C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |&1:1,&2:3,&3:9,&4:14,&5:18,&6:30,&7:41,&8:55,&9:64,&10:65|" DEQANNDTNATYII-KWPKQMLXSA-N BRD-A64173453-015-01-5 octreotide 0 49.51 MedChemEx HY-17365 Octreotide (acetate) 1018.44 "C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |&1:1,&2:3,&3:9,&4:14,&5:18,&6:30,&7:41,&8:55,&9:64,&10:65|" DEQANNDTNATYII-KWPKQMLXSA-N BRD-K22822991-001-03-9 odanacatib 0 97.5 MedChemEx HY-10042 Odanacatib 525.171 CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N FWIVDMJALNEADT-SFTDATJTSA-N 10152654 BRD-K22822991-001-02-3 odanacatib 0 98.17 Selleck S1115 Odanacatib (MK-0822) 525.171 CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N FWIVDMJALNEADT-SFTDATJTSA-N 10152654 BRD-K26015241-001-04-4 ODQ 0 0 Tocris 880 ODQ 187.038 O=c1onc2cnc3ccccc3n12 LZMHWZHOZLVYDL-UHFFFAOYSA-N 1456 BRD-K26015241-001-03-6 ODQ 0 70.01 Tocris 880 ODQ 187.038 O=c1onc2cnc3ccccc3n12 LZMHWZHOZLVYDL-UHFFFAOYSA-N 1456 BRD-K92658264-001-01-8 OF-1 0 86.25 Tocris 5289 OF 1 439.02 COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C YUNQZQREIHWDQT-UHFFFAOYSA-N 35397514 BRD-K92658264-001-02-9 OF-1 0 95.56 Tocris 5289 OF 1 439.02 COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C YUNQZQREIHWDQT-UHFFFAOYSA-N 35397514 BRD-K01826479-213-01-9 ofloxacin 0 98.67 MicroSource 1502044 OFLOXACIN 422.197 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |&1:1| GSDSWSVVBLHKDQ-JTQLQIEISA-N 6956357 BRD-K26349472-001-02-1 OG-L002 0 66.65 Selleck S7237 OG-L002 225.115 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 DSOJSZXQRJGBCW-CABCVRRESA-N 56639570 BRD-A46597779-001-01-5 BRD-K26349472-001-01-3 OG-L002 0 85.35 Selleck S7237 OG-L002 225.115 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 DSOJSZXQRJGBCW-CABCVRRESA-N 56639570 BRD-K26349472-001-03-9 OG-L002 0 91.37 Selleck S7237 OG-L002 225.115 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 DSOJSZXQRJGBCW-CABCVRRESA-N 56639570 BRD-K00005341-001-01-9 ogerin 0 97.68 MedChemEx HY-110279 Ogerin 307.143 Nc1nc(NCc2ccccc2)nc(n1)-c1ccccc1CO MDGIEDNDSFMSLP-UHFFFAOYSA-N 56707820 BRD-K92303087-001-01-6 oglemilast 0 96.52 MedChemEx HY-15178 Oglemilast 514.992 CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1 OKFDRAHPFKMAJH-UHFFFAOYSA-N 11387409 BRD-K92303087-001-02-9 oglemilast 0 93.68 MedChemEx HY-15178 Oglemilast 514.992 CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1 OKFDRAHPFKMAJH-UHFFFAOYSA-N 11387409 BRD-K00003164-001-01-9 oglufanide 0 87.14 MedChemEx HY-13718 Oglufanide 333.132 N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O LLEUXCDZPQOJMY-AAEUAGOBSA-N 100094 BRD-K94083718-001-01-9 OICR-9429 0 93.82 Tocris 5267 OICR 9429 555.246 CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 DJOVLOYCGXNVPI-UHFFFAOYSA-N 91623360 BRD-K94083718-001-03-9 OICR-9429 0 95.2 Tocris 5267 OICR 9429 555.246 CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 DJOVLOYCGXNVPI-UHFFFAOYSA-N 91623360 BRD-K18895904-001-16-1 olanzapine 0 92.16 MicroSource 1505024 OLANZAPINE 312.141 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| KVWDHTXUZHCGIO-UHFFFAOYSA-N 135398745 BRD-K18895904-001-19-5 olanzapine 0 82.21 Tocris 4349 Olanzapine 312.141 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| KVWDHTXUZHCGIO-UHFFFAOYSA-N 135398745 BRD-K18895904-001-15-3 olanzapine 0 86.41 Selleck S2493 Olanzapine 312.141 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| KVWDHTXUZHCGIO-UHFFFAOYSA-N 135398745 BRD-K18895904-001-17-9 olanzapine 0 95.27 Selleck S2493 Olanzapine (Zyprexa) 312.141 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| KVWDHTXUZHCGIO-UHFFFAOYSA-N 135398745 BRD-K02113016-001-19-6 olaparib 0 98.64 Selleck S1060 Olaparib 434.175 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 FDLYAMZZIXQODN-UHFFFAOYSA-N 23725625 BRD-K02113016-001-15-4 olaparib 0 96.94 Selleck S1060 "Olaparib (AZD2281, Ku-0059436)" 434.175 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 FDLYAMZZIXQODN-UHFFFAOYSA-N 23725625 BRD-K95523387-001-10-9 OLDA 0 86.22 Tocris 1641 OLDA 417.324 CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 QQBPLXNESPTPNU-KTKRTIGZSA-N 5282106 BRD-K95523387-001-09-6 OLDA 0 96.21 Tocris 1641 OLDA 417.324 CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 QQBPLXNESPTPNU-KTKRTIGZSA-N 5282106 BRD-K06644925-001-03-0 oleamide 0 100 Tocris 878 Oleamide 281.272 CCCCCCCC\C=C/CCCCCCCC(N)=O FATBGEAMYMYZAF-KTKRTIGZSA-N 5283387 BRD-K98006098-001-01-6 oleandrin 0 94.85 MedChemEx HY-13719 Oleandrin 576.33 CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O |t:32| JLPDBLFIVFSOCC-XYXFTTADSA-N 11541511 BRD-K90647725-001-10-9 oleanolic-acid 0 100 Tocris 6026 Oleanolic acid 456.36 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10| MIJYXULNPSFWEK-GTOFXWBISA-N 10494 BRD-K90647725-001-07-3 oleanolic-acid 0 90.67 Selleck S2334 Oleanolic Acid (Caryophyllin) 456.36 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10| MIJYXULNPSFWEK-GTOFXWBISA-N 10494 BRD-A00113255-001-02-6 BRD-K90647725-001-06-5 oleanolic-acid 0 89.95 Selleck S2334 Oleanolic Acid 456.36 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10| MIJYXULNPSFWEK-GTOFXWBISA-N 10494 BRD-A65785035-001-01-2 BRD-K66956375-001-11-3 oleoylethanolamide 0 99.32 Tocris 1484 Oleylethanolamide 325.298 CCCCCCCC\C=C/CCCCCCCC(=O)NCCO BOWVQLFMWHZBEF-KTKRTIGZSA-N 5283454 BRD-K18210059-001-01-8 olesoxime 0 0 MedChemEx HY-14796 TRO 19622 399.35 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C\C(CC[C@]4(C)[C@H]3CC[C@]12C)=N\O |t:15| QNTASHOAVRSLMD-SIWSWZRQSA-N 9930827 BRD-K18210059-001-02-6 olesoxime 0 69.73 MedChemEx HY-14796 TRO 19622 399.35 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C\C(CC[C@]4(C)[C@H]3CC[C@]12C)=N\O |t:15| QNTASHOAVRSLMD-SIWSWZRQSA-N 9930827 BRD-A33931310-001-01-7 BRD-A00842753-001-01-9 oleuropein 0 85.99 Selleck S7867 Oleuropein 540.184 "COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)\C(=C/C)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 |&1:7,&2:9,&3:11,&4:14,&5:16,&6:18,&7:23,r,t:4|" RFWGABANNQMHMZ-JIBQERFGSA-N BRD-K00003580-001-01-9 oligomycin-A 0 93.31 MedChemEx HY-16589 Oligomycin A 790.523 "[H][C@]12CC[C@@H](CC)\C=C\C=C\C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C(=O)O[C@]([H])([C@@H]1C)[C@H](C)[C@@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)O2 |t:7,9,35|" MNULEGDCPYONBU-BGLGBHOCSA-N 133268482 BRD-K83144676-001-09-5 olmesartan 0 95.2 Tocris 4616 Olmesartan 446.207 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O VTRAEEWXHOVJFV-UHFFFAOYSA-N 158781 BRD-K83144676-001-08-7 olmesartan 0 95.02 MedChemEx HY-17004 Olmesartan 446.207 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O VTRAEEWXHOVJFV-UHFFFAOYSA-N 158781 BRD-K83144676-001-06-1 olmesartan 0 54.02 MicroSource 1505206 OLMESARTAN 446.207 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O VTRAEEWXHOVJFV-UHFFFAOYSA-N 158781 BRD-K83144676-001-07-9 olmesartan 0 22.83 MedChemEx HY-17004 Olmesartan 446.207 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O VTRAEEWXHOVJFV-UHFFFAOYSA-N 158781 BRD-K78485176-001-07-8 olmesartan-medoxomil 0 95.9 MicroSource 1505205 OLMESARTAN MEDOXOMIL 558.223 CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O UQGKUQLKSCSZGY-UHFFFAOYSA-N 130881 BRD-K78485176-001-09-4 olmesartan-medoxomil 0 88.44 Tocris 4620 Olmesartan medoxomil 558.223 CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O UQGKUQLKSCSZGY-UHFFFAOYSA-N 130881 BRD-K78485176-001-06-0 olmesartan-medoxomil 0 95.49 Selleck S1604 Olmesartan Medoxomil 558.223 CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O UQGKUQLKSCSZGY-UHFFFAOYSA-N 130881 BRD-K78485176-001-10-9 olmesartan-medoxomil 0 95.52 MedChemEx HY-17005 Olmesartan (medoxomil) 558.223 CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O UQGKUQLKSCSZGY-UHFFFAOYSA-N 130881 BRD-K60421517-001-02-2 olmutinib 0 91.76 MedChemEx HY-19730 Olmutinib 486.184 CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)cc1 FDMQDKQUTRLUBU-UHFFFAOYSA-N 54758501 BRD-K60421517-001-01-4 olmutinib 0 82.69 MedChemEx HY-19730 Olmutinib 486.184 CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)cc1 FDMQDKQUTRLUBU-UHFFFAOYSA-N 54758501 BRD-K00003151-001-01-9 olodanrigan 0 97.15 MedChemEx HY-13106 Olodanrigan 507.205 COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1 GHBCIXGRCZIPNQ-MHZLTWQESA-N 9937291 BRD-K82731415-001-08-9 olomoucine 0 94.52 Tocris 1284 Olomoucine 298.154 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 GTVPOLSIJWJJNY-UHFFFAOYSA-N 4592 BRD-K82731415-001-07-0 olomoucine 0 97.73 Tocris 1284 Olomoucine 298.154 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 GTVPOLSIJWJJNY-UHFFFAOYSA-N 4592 BRD-K67637637-003-11-8 olopatadine 0 93.94 Tocris 4241 Olopatadine hydrochloride 337.168 CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 JBIMVDZLSHOPLA-LSCVHKIXSA-N 5281071 BRD-K67637637-003-12-6 olopatadine 0 98.6 Selleck S2494 Olopatadine HCl 337.168 CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 JBIMVDZLSHOPLA-LSCVHKIXSA-N 5281071 BRD-K06625472-003-01-6 BRD-K20745393-003-01-0 olprinone 0 99.86 MedChemEx HY-14254 Olprinone (Hydrochloride) 250.085 Cc1[nH]c(=O)c(cc1-c1ccc2nccn2c1)C#N JPAWFIIYTJQOKW-UHFFFAOYSA-N 4593 BRD-K57853941-304-04-9 olsalazine 0 98.95 MedChemEx HY-B0174 Olsalazine (Disodium) 302.054 OC(=O)c1cc(ccc1O)\N=N\c1ccc(O)c(c1)C(O)=O QQBDLJCYGRGAKP-FOCLMDBBSA-N BRD-K57853941-304-03-3 olsalazine 0 98.16 MicroSource 1502389 OLSALAZINE SODIUM 302.054 OC(=O)c1cc(ccc1O)\N=N\c1ccc(O)c(c1)C(O)=O QQBDLJCYGRGAKP-FOCLMDBBSA-N BRD-K57853941-304-02-5 olsalazine 0 98.41 Selleck S4041 Olsalazine Sodium 302.054 OC(=O)c1cc(ccc1O)\N=N\c1ccc(O)c(c1)C(O)=O QQBDLJCYGRGAKP-FOCLMDBBSA-N BRD-K86972824-001-01-4 oltipraz 0 95.28 MicroSource 1502317 OLTIPRAZ 225.969 Cc1c(ssc1=S)-c1cnccn1 CKNAQFVBEHDJQV-UHFFFAOYSA-N 47318 BRD-K86972824-001-02-2 oltipraz 0 97.51 MicroSource 1502317 OLTIPRAZ 225.969 Cc1c(ssc1=S)-c1cnccn1 CKNAQFVBEHDJQV-UHFFFAOYSA-N 47318 BRD-K00004611-001-01-9 olumacostat-glasaretil 0 85.94 MedChemEx HY-17641 Olumacostat glasaretil 481.304 CCCCCCCCCCCCCCOc1ccc(o1)C(=O)OCC(=O)N(C)CC(=O)OCC FYJLDICZGDFWKP-UHFFFAOYSA-N 89497391 BRD-K31560319-001-02-3 olvanil 0 90.23 Tocris 934 Olvanil 417.324 CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 OPZKBPQVWDSATI-KHPPLWFESA-N 5311093 BRD-K31560319-001-03-9 olvanil 0 91.96 Tocris 934 Olvanil 417.324 CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 OPZKBPQVWDSATI-KHPPLWFESA-N 5311093 BRD-K31560319-001-01-5 olvanil 0 94.57 Tocris 934 Olvanil 417.324 CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 OPZKBPQVWDSATI-KHPPLWFESA-N 5311093 BRD-K00003569-003-01-9 omadacycline 0 95.49 MedChemEx HY-14865C Omadacycline (hydrochloride) 556.29 "[H][C@@]12Cc3c(cc(CNCC(C)(C)C)c(O)c3C(=O)[C@H]1C(=O)[C@]1(O)C(=O)[C@@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |&1:26,&2:19|" OVIWLBQFYMOVOF-NXSZOOMBSA-N BRD-K00003265-001-01-9 omapatrilat 0 53.07 MedChemEx HY-18208 Omapatrilat 408.118 [H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O LVRLSYPNFFBYCZ-VGWMRTNUSA-N 656629 BRD-K14171291-001-01-4 omarigliptin 0 85.29 MedChemEx HY-15981 Omarigliptin 398.122 CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F MKMPWKUAHLTIBJ-ISTRZQFTSA-N 46209133 BRD-K14171291-001-02-2 omarigliptin 0 94.52 MedChemEx HY-15981 Omarigliptin 398.122 CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F MKMPWKUAHLTIBJ-ISTRZQFTSA-N 46209133 BRD-K14171291-001-03-9 omarigliptin 0 89.75 MedChemEx HY-15981 Omarigliptin 398.122 CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F MKMPWKUAHLTIBJ-ISTRZQFTSA-N 46209133 BRD-K11072003-001-02-4 ombitasvir 0 96.54 MedChemEx HY-13997 Ombitasvir 893.505 COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 PIDFDZJZLOTZTM-KHVQSSSXSA-N 54767916 BRD-K11072003-001-01-6 ombitasvir 0 56.95 MedChemEx HY-13997 Ombitasvir 893.505 COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 PIDFDZJZLOTZTM-KHVQSSSXSA-N 54767916 BRD-K00003267-003-01-9 ombrabulin 0 98.81 MedChemEx HY-18256 Ombrabulin (hydrochloride) 402.179 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO IXWNTLSTOZFSCM-YVACAVLKSA-N 6918405 BRD-K48830578-001-02-9 OMDM-2 0 89.2 Tocris 1797 OMDM-2 431.34 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 ICDMLAQPOAVWNH-HAAQQRBASA-N 6604915 BRD-K48830578-001-01-9 OMDM-2 0 92.27 Tocris 1797 OMDM-2 431.34 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 ICDMLAQPOAVWNH-HAAQQRBASA-N 6604915 BRD-K36680103-001-01-6 omecamtiv-mecarbil 0 94.66 Selleck S2623 Omecamtiv mecarbil (CK-1827452) 401.186 COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1 RFUBTTPMWSKEIW-UHFFFAOYSA-N 11689883 BRD-K36680103-001-02-9 omecamtiv-mecarbil 0 96.1 MedChemEx HY-14233 Omecamtiv mecarbil 401.186 COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1 RFUBTTPMWSKEIW-UHFFFAOYSA-N 11689883 BRD-K53156781-001-01-4 omega-(4-iodophenyl)pentadecanoic-acid 0 13.69 Sigma MFCD00040778 15-(4-iodophenyl)pentadecanoic acid 444.153 OC(=O)CCCCCCCCCCCCCCc1ccc(I)cc1 YAONEUNUMVOKNQ-UHFFFAOYSA-N 123810 BRD-K31139048-001-02-4 omega-3-acid-esters 0 0 MicroSource 1300030 OMEGA-3-ACID ESTERS (EPA shown) 330.256 CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC SSQPWTVBQMWLSZ-AAQCHOMXSA-N 9831415 BRD-K31139048-001-03-2 omega-3-acid-esters 0 71.9 MedChemEx HY-B0747 Eicosapentaenoic acid (ethyl ester) 330.256 CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC SSQPWTVBQMWLSZ-AAQCHOMXSA-N 9831415 BRD-K31139048-001-04-0 omega-3-acid-esters 0 0 MedChemEx HY-B0747 Eicosapentaenoic acid (ethyl ester) 330.256 CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC SSQPWTVBQMWLSZ-AAQCHOMXSA-N 9831415 BRD-A55962179-001-23-9 omeprazole 0 99.02 MicroSource 1505693 OMEPRAZOLE 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-001-24-7 omeprazole 0 98.67 Selleck S1389 Omeprazole (Prilosec) 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-001-22-1 omeprazole 0 99.07 Tocris 2583 Omeprazole 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A55962179-001-21-3 omeprazole 0 37.67 Selleck S1389 Omeprazole 345.115 COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| SUBDBMMJDZJVOS-DEOSSOPVSA-N 9568614 BRD-A56892734-001-09-4 omeprazole-magnesium 0 98.99 Vitas-M STL455071 "magnesium 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide" 712.199 COc1ccc2n([Mg]n3c(nc4cc(OC)ccc34)[S@@](=O)Cc3ncc(C)c(OC)c3C)c(nc2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| KWORUUGOSLYAGD-YPPDDXJESA-N 9601083 BRD-K69035426-001-01-3 omeprazole-sulfide 0 92.79 AKSci V1823 329.12 COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1 XURCIPRUUASYLR-UHFFFAOYSA-N 155794 BRD-K00003212-001-01-9 omtriptolide 0 93.75 MedChemEx HY-16363 Omtriptolide 460.173 [H][C@@]12C[C@@H]3O[C@@]33[C@H](OC(=O)CCC(O)=O)[C@]4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CCC1=C2COC1=O)C(C)C |c:30| HROMYAWHLUOUPY-AHCCQAQQSA-N 6918522 BRD-K55790047-001-02-9 ON-01500 0 93.86 MedChemEx HY-78883 ON 01500 393.125 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)c2)c(OC)c1 KUTAVMCJCVADGZ-BQYQJAHWSA-N 11486204 BRD-K55790047-001-01-8 ON-01500 0 74.35 Enamine Z374851066 393.125 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)c2)c(OC)c1 KUTAVMCJCVADGZ-BQYQJAHWSA-N 11486204 BRD-K88554883-001-01-6 ON123300 0 82.31 MedChemEx HY-12624 ON123300 429.228 CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 VADOZMZXXRBXNY-UHFFFAOYSA-N 56649281 BRD-K88554883-001-03-2 ON123300 0 91.24 MedChemEx HY-12624 ON123300 429.228 CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 VADOZMZXXRBXNY-UHFFFAOYSA-N 56649281 BRD-K58529924-001-02-3 ONC201 0 98.82 Selleck S7963 TIC10 386.211 "Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|" VLULRUCCHYVXOH-UHFFFAOYSA-N 73777259 BRD-K58529924-001-01-5 ONC201 0 96.29 Cayman 16109 "7-benzyl-4-(2-methylbenzyl)-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one" 386.211 "Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|" VLULRUCCHYVXOH-UHFFFAOYSA-N 73777259 BRD-K43449605-001-01-0 oncrasin-1 0 99.67 Tocris 3427 Oncrasin 1 269.061 Clc1ccc(Cn2cc(C=O)c3ccccc23)cc1 ZDRQMXCSSAPUMM-UHFFFAOYSA-N 872445 BRD-K43449605-001-02-8 oncrasin-1 0 95.01 EMDBio 496265 Oncrasin-1 269.061 Clc1ccc(Cn2cc(C=O)c3ccccc23)cc1 "InChI=1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2" 872445 BRD-K01826546-001-06-9 ondansetron 0 99.41 MicroSource 1502501 ONDANSETRON 293.153 Cc1nccn1C[C@H]1CCc2c(C1=O)c1ccccc1n2C |r| FELGMEQIXOGIFQ-CYBMUJFWSA-N 667538 BRD-K01826546-001-05-9 ondansetron 0 97.89 Selleck S1996 Ondansetron (Zofran) 293.153 Cc1nccn1C[C@H]1CCc2c(C1=O)c1ccccc1n2C |r| FELGMEQIXOGIFQ-CYBMUJFWSA-N 667538 BRD-K00003197-001-02-9 ONO-4059 0 97.35 MedChemEx HY-15771 Tirabrutinib 454.175 CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O SEJLPXCPMNSRAM-GOSISDBHSA-N 54755438 BRD-K00003197-003-01-9 ONO-4059 0 90.93 MedChemEx HY-15771A Tirabrutinib (hydrochloride) 454.175 CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O SEJLPXCPMNSRAM-GOSISDBHSA-N 54755438 BRD-K58894520-001-01-1 ONO-4817 0 97.35 Sigma MFCD09971106 "N-[(1S,3S)-1-[(ethoxymethoxy)methyl]-4-(hydroxyamino)-3-methyl-4-oxobutyl]-4-phenoxybenzamide" 416.195 CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1 HDWWQELUBWGQGA-WMZOPIPTSA-N 9888141 BRD-K76725781-001-01-9 ONO-8130 0 92 Tocris 5406 ONO 8130 500.144 CC(C)CN(c1cc2CCCc2cc1OCc1ccc(cc1)C(O)=O)S(=O)(=O)c1nc(C)cs1 IOXMDBQCUCDLAF-UHFFFAOYSA-N 9827317 BRD-K76725781-001-02-9 ONO-8130 0 97.38 Tocris 5406 ONO 8130 500.144 CC(C)CN(c1cc2CCCc2cc1OCc1ccc(cc1)C(O)=O)S(=O)(=O)c1nc(C)cs1 IOXMDBQCUCDLAF-UHFFFAOYSA-N 9827317 BRD-A80567330-001-01-7 ONO-AE3-208 0 96.3 Tocris 3565 ONO AE3 208 404.154 "C[C@@H](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c1ccc(F)c2ccccc12 |&1:1,r|" MTDIMKNAJUQTIO-OAHLLOKOSA-N 92978378 BRD-A80567330-001-02-9 ONO-AE3-208 0 96.7 Tocris 3565 ONO AE3 208 404.154 "C[C@@H](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c1ccc(F)c2ccccc12 |&1:1,r|" MTDIMKNAJUQTIO-OAHLLOKOSA-N 92978378 BRD-K00003557-001-01-9 ONX-0914 0 95.31 MedChemEx HY-13207 ONX-0914 580.29 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 WQAVPPWWLLVGFK-VTNASVEKSA-N 23642227 BRD-K00004708-001-01-9 OP-0595 0 77.8 AMS L22071 OP-0595 324.074 NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O RSBPYSTVZQAADE-RQJHMYQMSA-N 73386748 BRD-K19426040-001-02-9 OPC-21268 0 93.73 Tocris 3924 OPC 21268 449.231 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 KSNUCNRMDYJBKT-UHFFFAOYSA-N 114904 BRD-K19426040-001-01-1 OPC-21268 0 96.93 Sigma MFCD00903893 "N-(3-(4-(4-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)piperidine-1-carbonyl)phenoxy)propyl)acetamide" 449.231 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 KSNUCNRMDYJBKT-UHFFFAOYSA-N 114904 BRD-K66192203-001-01-4 opicapone 0 67.45 MedChemEx HY-14896 Opicapone 411.998 Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O ASOADIZOVZTJSR-UHFFFAOYSA-N 135565903 BRD-K66192203-001-02-2 opicapone 0 94.71 MedChemEx HY-14896 Opicapone 411.998 Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O ASOADIZOVZTJSR-UHFFFAOYSA-N 135565903 BRD-K43786866-300-02-3 opipramol 0 97.22 Prestwick Prestw-1456 Opipramol dihydrochloride 363.231 OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18| YNZFUWZUGRBMHL-UHFFFAOYSA-N 9417 BRD-K91438851-001-02-9 oprozomib 0 93.83 MedChemEx HY-12113 Oprozomib 532.199 COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 SWZXEVABPLUDIO-WSZYKNRRSA-N 25067547 BRD-K18602506-001-09-9 OR-486 0 95.46 Tocris 483 OR-486 200.007 Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O VDCDWNDTNSWDFJ-UHFFFAOYSA-N 3870203 BRD-K18602506-001-08-0 OR-486 0 0 Tocris 483 OR-486 200.007 Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O VDCDWNDTNSWDFJ-UHFFFAOYSA-N 3870203 BRD-K55966568-001-10-4 orantinib 0 90.37 Tocris 3335 SU 6668 310.132 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O NHFDRBXTEDBWCZ-ZROIWOOFSA-N 5329099 BRD-K55966568-001-09-6 orantinib 0 92.22 Selleck S1470 TSU-68 310.132 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O NHFDRBXTEDBWCZ-ZROIWOOFSA-N 5329099 BRD-K55966568-001-06-2 orantinib 0 85.13 Tocris 3335 SU 6668 310.132 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O NHFDRBXTEDBWCZ-ZROIWOOFSA-N 5329099 BRD-K55966568-001-05-4 orantinib 0 87.59 Selleck S1470 "TSU-68 (SU6668, Orantinib)" 310.132 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O NHFDRBXTEDBWCZ-ZROIWOOFSA-N 5329099 BRD-K63001556-001-11-9 orbifloxacin 0 94.58 MedChemEx HY-B0915 Orbifloxacin 395.146 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 QIPQASLPWJVQMH-DTORHVGOSA-N 7061800 BRD-K63001556-001-08-8 orbifloxacin 0 94.85 MicroSource 1503711 ORBIFLOXACIN 395.146 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 QIPQASLPWJVQMH-DTORHVGOSA-N 7061800 BRD-K63001556-001-10-4 orbifloxacin 0 94.27 Selleck S4150 Orbifloxacin 395.146 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 QIPQASLPWJVQMH-DTORHVGOSA-N 7061800 BRD-K68153448-001-01-9 BRD-K63001556-001-09-6 orbifloxacin 0 99.48 Selleck S4150 Orbifloxacin 395.146 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 QIPQASLPWJVQMH-DTORHVGOSA-N 7061800 BRD-K67068943-001-01-0 ORE1001 0 94.22 EMDBio 530616-2MG "ACE2 Inhibitor, MLN-4760" 427.107 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O NTCCRGGIJNDEAB-IRXDYDNUSA-N 448281 BRD-K07409305-001-01-1 ORG-12962 0 91.07 Key KD-0713 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine 265.059 FC(F)(F)c1ccc(nc1Cl)N1CCNCC1 QZYYPQAYSFBKPW-UHFFFAOYSA-N 9796408 BRD-K32853922-003-02-9 ORG-25543 0 97.16 Tocris 4782 Org 25543 hydrochloride 412.236 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C ZCYOBMASPXQBSZ-UHFFFAOYSA-N 5311287 BRD-K32853922-003-01-8 ORG-25543 0 97.69 Tocris 4782 Org 25543 hydrochloride 412.236 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C ZCYOBMASPXQBSZ-UHFFFAOYSA-N 5311287 BRD-K40002998-001-01-5 ORG-26576 0 98.64 AMS A000267767 "(9aS)-8,9,9a,10-tetrahydro-5H,7H-pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one" 204.09 O=C1N2CCC[C@H]2COc2ncccc12 FIKUEZUFASUKAH-QMMMGPOBSA-N 13584912 BRD-K57597776-001-01-2 ORG-27569 0 91.23 Selleck S1534 Org 27569 409.192 CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1 AHFZDNYNXFMRFQ-UHFFFAOYSA-N 44828492 BRD-K57597776-001-02-9 ORG-27569 0 95.82 Tocris 2957 Org 27569 409.192 CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1 AHFZDNYNXFMRFQ-UHFFFAOYSA-N 44828492 BRD-K41434598-003-01-9 ORG-9768 0 93.42 Enamine EN300-124569 161.12 CC1(CN)Cc2ccccc2C1 JOLKQWPKJFRPOU-UHFFFAOYSA-N 22152353 BRD-K00003710-001-01-9 oridonin 0 84.29 MedChemEx HY-N0004 Oridonin 364.189 [H][C@@]1(O)[C@@]2([H])CC[C@]3([H])[C@@]1(C(=O)C2=C)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O SDHTXBWLVGWJFT-XKCURVIJSA-N 5321010 BRD-K00003704-316-01-9 oritavancin 0 92.78 MedChemEx HY-B1831A Oritavancin (diphosphate) 1790.564 [H][C@@]1(C[C@](C)(NCc2ccc(cc2)-c2ccc(Cl)cc2)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3([H])c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@]1([H])C[C@](C)(N)[C@@H](O)[C@H](C)O1)[C@]1([H])NC(=O)[C@]([H])(NC3=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@]([H])(NC1=O)C(O)=O VHFGEBVPHAGQPI-LXKZPTCJSA-N 16136912 BRD-K63343048-001-13-0 orlistat 0 100 Tocris 3540 Orlistat 495.392 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O AHLBNYSZXLDEJQ-FWEHEUNISA-N 3034010 BRD-K63343048-001-15-5 orlistat 0 99.2 Selleck S1629 ORLISTAT 495.392 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O AHLBNYSZXLDEJQ-FWEHEUNISA-N 3034010 BRD-K63343048-001-17-9 orlistat 0 100 Tocris 3540 Orlistat 495.392 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O AHLBNYSZXLDEJQ-FWEHEUNISA-N 3034010 BRD-K63343048-001-12-2 orlistat 0 100 Selleck S1629 Orlistat 495.392 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O AHLBNYSZXLDEJQ-FWEHEUNISA-N 3034010 BRD-K00004639-001-01-9 ormeloxifene 0 81.67 Sigma SML2237 "1-(2-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}ethyl)pyrrolidine" 457.262 COc1ccc2[C@H]([C@H](c3ccccc3)C(C)(C)Oc2c1)c1ccc(OCCN2CCCC2)cc1 XZEUAXYWNKYKPL-WDYNHAJCSA-N 35805 BRD-A42759514-001-20-5 ornidazole 0 91.45 MicroSource 1505981 ORNIDAZOLE 219.041 "Cc1ncc(n1C[C@@H](O)CCl)[N+]([O-])=O |&1:7,r|" IPWKIXLWTCNBKN-LURJTMIESA-N 688540 BRD-A42759514-001-23-9 ornidazole 0 90.99 MedChemEx HY-B0508 Ornidazole 219.041 "Cc1ncc(n1C[C@@H](O)CCl)[N+]([O-])=O |&1:7,r|" IPWKIXLWTCNBKN-LURJTMIESA-N 688540 BRD-A42759514-001-21-3 ornidazole 0 92.96 Selleck S3121 Ornidazole 219.041 "Cc1ncc(n1C[C@@H](O)CCl)[N+]([O-])=O |&1:7,r|" IPWKIXLWTCNBKN-LURJTMIESA-N 688540 BRD-A42759514-001-19-7 ornidazole 0 83.96 Selleck S3121 Ornidazole 219.041 "Cc1ncc(n1C[C@@H](O)CCl)[N+]([O-])=O |&1:7,r|" IPWKIXLWTCNBKN-LURJTMIESA-N 688540 BRD-K00003333-001-01-9 ornipressin 0 77.29 MedChemEx HY-P0083 Ornipressin 1041.416 [H][C@@]1(Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O MUNMIGOEDGHVLE-FGJIEJSYSA-N BRD-K01825132-003-02-9 ornithine 0 0 MicroSource 1504524 ORNITHINE HYDROCHLORIDE 168.067 "Cl.NCCC[C@@H](N)C(O)=O |&1:5,r|" GGTYBZJRPHEQDG-PGMHMLKASA-N 74765349 BRD-K32572029-001-05-1 orotic-acid 0 100 MicroSource 1504525 OROTIC ACID 156.017 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 PXQPEWDEAKTCGB-UHFFFAOYSA-N 967 BRD-K32572029-001-04-4 orotic-acid 0 100 Selleck S2336 Orotic acid (6-Carboxyuracil) 156.017 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 PXQPEWDEAKTCGB-UHFFFAOYSA-N 967 BRD-K05717154-001-02-9 orphanin-fq 0 0 MedChemEx HY-P0183 Nociceptin 1807.981 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O PULGYDLMFSFVBL-SMFNREODSA-N 56947112 BRD-K05717154-001-01-1 orphanin-fq 0 63.03 Enzo AC862 Nociceptin 1807.981 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O PULGYDLMFSFVBL-SMFNREODSA-N 56947112 BRD-A53576514-048-14-3 orphenadrine 0 98.55 MicroSource 1500447 ORPHENADRINE CITRATE 269.178 CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C |&1:6| QVYRGXJJSLMXQH-SFHVURJKSA-N 736041 BRD-A53576514-048-13-5 orphenadrine 0 93.94 Selleck S2054 Orphenadrine Citrate 269.178 CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C |&1:6| QVYRGXJJSLMXQH-SFHVURJKSA-N 736041 BRD-A53576514-048-15-0 orphenadrine 0 95.13 Selleck S2054 Orphenadrine hydrochloride 269.178 CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C |&1:6| QVYRGXJJSLMXQH-SFHVURJKSA-N 736041 BRD-K00674894-001-02-2 orteronel 0 98.05 Selleck S1195 TAK-700 (Orteronel) 307.132 CNC(=O)c1ccc2cc(ccc2c1)[C@]1(O)CCn2cncc12 OZPFIJIOIVJZMN-GOSISDBHSA-N 10335364 BRD-K00674894-001-01-4 orteronel 0 97.87 Selleck S1195 TAK-700 (Orteronel) 307.132 CNC(=O)c1ccc2cc(ccc2c1)[C@]1(O)CCn2cncc12 OZPFIJIOIVJZMN-GOSISDBHSA-N 10335364 BRD-A12409803-001-04-7 BRD-K59711701-300-02-1 ORY-1001 0 92.83 MedChemEx HY-12782 ORY-1001 230.178 NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 ALHBJBCQLJZYON-PFSRBDOWSA-N 71543365 BRD-K59711701-300-01-3 ORY-1001 0 74.14 Selleck S7795 ORY-1001 (RG-6016) 230.178 NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 ALHBJBCQLJZYON-PFSRBDOWSA-N 71543365 BRD-K93767137-001-01-1 oseltamivir-carboxylate 0 85.81 MedChemEx HY-13318 Oseltamivir (acid) 284.174 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:7| NENPYTRHICXVCS-YNEHKIRRSA-N 449381 BRD-K93767137-001-02-9 oseltamivir-carboxylate 0 86.82 MedChemEx HY-13318 Oseltamivir (acid) 284.174 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:7| NENPYTRHICXVCS-YNEHKIRRSA-N 449381 BRD-K76011241-001-01-8 oseltamivir-phosphate 0 88.61 MicroSource 1504912 OSELTAMIVIR PHOSPHATE 312.205 CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |t:5| VSZGPKBBMSAYNT-RRFJBIMHSA-N 65028 BRD-K76011241-011-04-9 oseltamivir-phosphate 0 94.24 MedChemEx HY-17016 Oseltamivir (phosphate) 312.205 CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |t:5| VSZGPKBBMSAYNT-RRFJBIMHSA-N 65028 BRD-K76011241-011-02-5 oseltamivir-phosphate 0 93.88 Selleck S2597 Oseltamivir Phosphate 312.205 CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |t:5| VSZGPKBBMSAYNT-RRFJBIMHSA-N 65028 BRD-K76011241-001-02-6 oseltamivir-phosphate 0 78.25 Selleck S2597 Oseltamivir phosphate 312.205 CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |t:5| VSZGPKBBMSAYNT-RRFJBIMHSA-N 65028 BRD-U75584406-000-01-6 BRD-K60371362-001-01-7 osemozotan 0 98.16 Sigma MFCD17012664 "N-[3-(1,3-benzodioxol-5-yloxy)propyl]-N-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]amine" 343.142 C(CNC[C@H]1COc2ccccc2O1)COc1ccc2OCOc2c1 MEEQBDCQPIZMLY-HNNXBMFYSA-N 198747 BRD-K87124298-001-05-9 OSI-027 0 95.61 MedChemEx HY-10423 OSI-027 406.175 COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 |r| JROFGZPOBKIAEW-HAQNSBGRSA-N BRD-K87124298-001-03-4 OSI-027 0 80.31 Selleck S2624 OSI-027 406.175 COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 |r| JROFGZPOBKIAEW-HAQNSBGRSA-N BRD-K87124298-001-04-2 OSI-027 0 91.53 Selleck S2624 OSI-027 406.175 COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 |r| JROFGZPOBKIAEW-HAQNSBGRSA-N BRD-K73309154-003-03-9 OSI-420 0 96.68 MedChemEx HY-13256 Desmethyl Erlotinib 379.153 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO KOQIAZNBAWFSQM-UHFFFAOYSA-N 10317566 BRD-K73309154-003-02-8 OSI-420 0 96.54 Selleck S2205 OSI-420 379.153 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO KOQIAZNBAWFSQM-UHFFFAOYSA-N 10317566 BRD-K25340465-001-11-1 OSI-930 0 86.5 Selleck S1220 OSI-930 443.092 FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1 FGTCROZDHDSNIO-UHFFFAOYSA-N 9868037 BRD-K25340465-001-07-9 OSI-930 0 3.06 Selleck S1220 OSI-930 443.092 FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1 FGTCROZDHDSNIO-UHFFFAOYSA-N 9868037 BRD-K00003210-001-01-9 osilodrostat 0 96.89 MedChemEx HY-16276 Osilodrostat 227.086 Fc1cc(ccc1[C@H]1CCc2cncn12)C#N USUZGMWDZDXMDG-CYBMUJFWSA-N 44139752 BRD-K42805893-001-04-9 osimertinib 0 87.75 MedChemEx HY-15772 AZD-9291 499.27 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 DUYJMQONPNNFPI-UHFFFAOYSA-N 71496458 BRD-K42805893-001-08-9 osimertinib 0 97.69 MedChemEx HY-15772 Osimertinib 499.27 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 DUYJMQONPNNFPI-UHFFFAOYSA-N 71496458 BRD-K44184170-001-01-7 ospemifene 0 99.9 Selleck S4285 "2-{4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy}ethanol" 378.139 OCCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 LUMKNAVTFCDUIE-VHXPQNKSSA-N 3036505 BRD-K29735307-001-03-9 ostarine 0 96.9 MedChemEx HY-13273 Ostarine 389.099 C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F JNGVJMBLXIUVRD-SFHVURJKSA-N 11326715 BRD-K29735307-001-02-9 ostarine 0 97.85 Selleck S1174 MK-2866 (GTx-024) 389.099 C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F JNGVJMBLXIUVRD-SFHVURJKSA-N 11326715 BRD-K78294846-001-13-9 osthol 0 96.58 MedChemEx HY-N0054 Osthole 244.11 COc1ccc2ccc(=O)oc2c1CC=C(C)C MBRLOUHOWLUMFF-UHFFFAOYSA-N 10228 BRD-K78294846-001-12-4 osthol 0 98.35 Selleck S2337 Osthole 244.11 COc1ccc2ccc(=O)oc2c1CC=C(C)C MBRLOUHOWLUMFF-UHFFFAOYSA-N 10228 BRD-K42009284-001-01-1 OT-R-antagonist-1 0 98.05 MedChemEx HY-15015 OT-R antagonist 1 471.216 CO\N=C1\C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 IBXGJPAYWMFXSF-UEEONYLUSA-N 9690136 BRD-K80082640-001-02-9 otamixaban 0 96.17 MedChemEx HY-70035 Otamixaban 446.195 COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1 PFGVNLZDWRZPJW-OPAMFIHVSA-N 5496659 BRD-K80082640-001-01-0 otamixaban 0 95.95 MedChemEx HY-70035 Otamixaban 446.195 COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1 PFGVNLZDWRZPJW-OPAMFIHVSA-N 5496659 BRD-A00520476-001-08-2 otenzepad 0 92.55 Tocris 1105 AF-DX 116 421.248 "CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 |&1:6,r|" UBRKDAVQCKZSPO-GOSISDBHSA-N 76966449 BRD-A00520476-001-09-9 otenzepad 0 96.5 Tocris 1105 AF-DX 116 421.248 "CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 |&1:6,r|" UBRKDAVQCKZSPO-GOSISDBHSA-N 76966449 BRD-A00520476-001-07-4 otenzepad 0 87.13 Tocris 1105 AF-DX 116 421.248 "CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 |&1:6,r|" UBRKDAVQCKZSPO-GOSISDBHSA-N 76966449 BRD-K85337334-004-03-9 otilonium 0 96.31 MedChemEx HY-B0499A Otilonium (bromide) 483.322 CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](C)(CC)CC NQHNLNLJPDMBFN-UHFFFAOYSA-O 72093 BRD-K85337334-004-02-6 otilonium 0 98.47 Selleck S3047 Otilonium Bromide 483.322 CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](C)(CC)CC NQHNLNLJPDMBFN-UHFFFAOYSA-O 72093 BRD-K53417444-003-03-1 OTS167 0 95.38 MedChemEx HY-15512A OTSSP167 (hydrochloride) 486.159 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r| DKZYXHCYPUVGAF-JCNLHEQBSA-N BRD-K53417444-003-04-9 OTS167 0 97.18 MedChemEx HY-15512A OTSSP167 (hydrochloride) 486.159 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r| DKZYXHCYPUVGAF-JCNLHEQBSA-N BRD-K38018935-001-01-1 OTS514 0 93.47 MedChemEx HY-18621 OTS514 364.125 C[C@@H](CN)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3sccc3c12 OETLNMOJNONWOY-LBPRGKRZSA-N 67448836 BRD-K43471985-001-05-5 OTX015 0 78.71 Selleck S7360 OTX015 491.118 Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8| GNMUEVRJHCWKTO-FQEVSTJZSA-N 9936746 BRD-A53775886-001-01-7 BRD-K43471985-001-03-0 OTX015 0 98.65 Selleck S7360 OTX015 491.118 Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8| GNMUEVRJHCWKTO-FQEVSTJZSA-N 9936746 BRD-K33277808-331-01-3 ouabain 0 96.12 MicroSource 1500676 OUABAIN OCTAHYDRATE 584.283 C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |t:33| LPMXVESGRSUGHW-VGFRVVOQSA-N 11527152 BRD-A68930007-331-01-6 BRD-K33277808-001-03-9 ouabain 0 95.22 Tocris 1076 Ouabain 584.283 C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |t:33| LPMXVESGRSUGHW-VGFRVVOQSA-N 11527152 BRD-K33277808-001-01-2 ouabain 0 94.43 Tocris 1076 Ouabain 584.283 C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |t:33| LPMXVESGRSUGHW-VGFRVVOQSA-N 11527152 BRD-K33277808-001-02-0 ouabain 0 93.95 Selleck S4016 Ouabain 584.283 C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |t:33| LPMXVESGRSUGHW-VGFRVVOQSA-N 11527152 BRD-A68930007-001-04-9|BRD-K92158972-331-01-3 BRD-K98736329-300-02-9 OXA-06 0 97.04 Tocris 5182 OXA 06 dihydrochloride 331.148 Fc1ccccc1CNCc1ccc(cc1)-c1ccnc2[nH]ccc12 XUIUXXQVHPEQNM-UHFFFAOYSA-N 24857242 BRD-K98736329-300-01-5 OXA-06 0 96.59 Tocris 5182 OXA 06 dihydrochloride 331.148 Fc1ccccc1CNCc1ccc(cc1)-c1ccnc2[nH]ccc12 XUIUXXQVHPEQNM-UHFFFAOYSA-N 24857242 BRD-K65230684-001-06-9 oxaceprol 0 100 MedChemEx HY-17490 Oxaceprol 173.069 CC(=O)N1C[C@H](O)C[C@H]1C(O)=O BAPRUDZDYCKSOQ-RITPCOANSA-N 65784 BRD-K96786677-323-04-9 oxacillin 0 91.96 MedChemEx HY-B0465 Oxacillin (sodium monohydrate) 401.105 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 UWYHMGVUTGAWSP-JKIFEVAISA-N 6196 BRD-K96786677-323-02-0 oxacillin 0 98.27 Selleck S2563 Oxacillin sodium monohydrate 401.105 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 UWYHMGVUTGAWSP-JKIFEVAISA-N 6196 BRD-K96786677-323-03-8 oxacillin 0 82.09 Selleck S2563 Oxacillin sodium monohydrate 401.105 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 UWYHMGVUTGAWSP-JKIFEVAISA-N 6196 BRD-K71213463-323-01-4 BRD-K96786677-236-02-4 oxacillin 0 95.64 MicroSource 1500448 OXACILLIN SODIUM 401.105 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 UWYHMGVUTGAWSP-JKIFEVAISA-N 6196 BRD-A66481418-236-04-0 BRD-K36982194-001-01-6 oxacyclohexadecan-2-one 0 0 Sigma MFCD00039667 oxacyclohexadecan-2-one 240.209 O=C1CCCCCCCCCCCCCCO1 FKUPPRZPSYCDRS-UHFFFAOYSA-N 235414 BRD-K78960041-001-07-3 oxaliplatin 0 72.43 MicroSource 1502282 OXALIPLATIN 395.044 O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O DWAFYCQODLXJNR-BNTLRKBRSA-L 43805 BRD-A20035137-001-01-3|BRD-M43490210-001-01-9 BRD-K78960041-001-05-7 oxaliplatin 0 98.79 Selleck S1224 Oxaliplatin (Eloxatin) 395.044 O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O DWAFYCQODLXJNR-BNTLRKBRSA-L 43805 BRD-M78823677-034-04-0 BRD-K78960041-001-03-2 oxaliplatin 0 0 Tocris 2623 Oxaliplatin 395.044 O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O DWAFYCQODLXJNR-BNTLRKBRSA-L 43805 BRD-M78823677-034-03-2 BRD-K78960041-001-08-9 oxaliplatin 0 83.1 Tocris 2623 Oxaliplatin 395.044 O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O DWAFYCQODLXJNR-BNTLRKBRSA-L 43805 BRD-K78960041-001-02-4 oxaliplatin 0 0 Selleck S1224 Oxaliplatin 395.044 O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O DWAFYCQODLXJNR-BNTLRKBRSA-L 43805 BRD-M78823677-034-02-4 BRD-K61279411-001-03-8 oxaloacetate 1 0 Sigma MFCD00002592 2-oxosuccinic acid 132.006 OC(=O)C=C(O)C(O)=O UWYVPFMHMJIBHE-UHFFFAOYSA-N 54676101 BRD-K61279411-001-02-0 oxaloacetate 1 0 Enamine Z271128590 132.006 OC(=O)C=C(O)C(O)=O UWYVPFMHMJIBHE-UHFFFAOYSA-N 54676101 BRD-K66019333-096-02-0 oxantel 0 36.2 MicroSource 1505982 OXANTEL PAMOATE 216.126 CN1CCCN=C1\C=C\c1cccc(O)c1 |c:5| VRYKTHBAWRESFI-VOTSOKGWSA-N 5281087 BRD-K66019333-096-03-9 oxantel 0 41.1 MedChemEx HY-B1344 Oxantel (pamoate) 216.126 CN1CCCN=C1\C=C\c1cccc(O)c1 |c:5| VRYKTHBAWRESFI-VOTSOKGWSA-N 5281087 BRD-K25394294-001-14-9 oxaprozin 0 99.41 MicroSource 1505267 OXAPROZIN 293.105 OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1 OFPXSFXSNFPTHF-UHFFFAOYSA-N 4614 BRD-K25394294-001-16-9 oxaprozin 0 97.67 MedChemEx HY-B0808 Oxaprozin 293.105 OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1 OFPXSFXSNFPTHF-UHFFFAOYSA-N 4614 BRD-K25394294-001-13-1 oxaprozin 0 96.5 Selleck S4230 Oxaprozin 293.105 OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1 OFPXSFXSNFPTHF-UHFFFAOYSA-N 4614 BRD-K22556255-001-08-9 oxatomide 0 97.1 Key KS-1375 "1-[3-(4-benzhydryl-1-piperazinyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one" 426.242 O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 BAINIUMDFURPJM-UHFFFAOYSA-N 4615 BRD-K22556255-001-06-9 oxatomide 0 95.48 Vitas-M STL147112 426.242 O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 BAINIUMDFURPJM-UHFFFAOYSA-N 4615 BRD-K04196797-001-24-4 oxcarbazepine 0 77.53 MicroSource 1504243 OXCARBAZEPINE 252.09 NC(=O)N1c2ccccc2CC(=O)c2ccccc12 CTRLABGOLIVAIY-UHFFFAOYSA-N 34312 BRD-K04196797-001-23-6 oxcarbazepine 0 76.73 Selleck S1391 Oxcarbazepine 252.09 NC(=O)N1c2ccccc2CC(=O)c2ccccc12 CTRLABGOLIVAIY-UHFFFAOYSA-N 34312 BRD-K04196797-001-25-1 oxcarbazepine 0 95.44 Selleck S1391 Oxcarbazepine 252.09 NC(=O)N1c2ccccc2CC(=O)c2ccccc12 CTRLABGOLIVAIY-UHFFFAOYSA-N 34312 BRD-K17977438-048-03-2 oxelaidin 0 89.52 Selleck S4402 Oxeladin Citrate 335.246 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 IQADUMSPOQKAAO-UHFFFAOYSA-N 4619 BRD-M29157795-001-01-5 BRD-K17977438-048-02-4 oxelaidin 0 91.86 MicroSource 1505774 OXELAIDIN CITRATE 335.246 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 IQADUMSPOQKAAO-UHFFFAOYSA-N 4619 BRD-K17977438-048-06-9 oxelaidin 0 95.06 MedChemEx HY-B1216 Oxeladin (citrate) 335.246 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 IQADUMSPOQKAAO-UHFFFAOYSA-N 4619 BRD-K17977438-048-04-0 oxelaidin 0 91.21 Selleck S4402 oxelaidin citrate 335.246 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 IQADUMSPOQKAAO-UHFFFAOYSA-N 4619 BRD-K56940463-001-14-6 oxethazaine 0 94.57 MicroSource 1503279 OXETHAZAINE 467.315 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 FTLDJPRFCGDUFH-UHFFFAOYSA-N 4621 BRD-K56940463-001-15-9 oxethazaine 0 98.08 MedChemEx HY-B0955 Oxethazaine 467.315 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 FTLDJPRFCGDUFH-UHFFFAOYSA-N 4621 BRD-K56940463-001-13-8 oxethazaine 0 94.7 Selleck S4343 Oxethazaine 467.315 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 FTLDJPRFCGDUFH-UHFFFAOYSA-N 4621 BRD-A73891132-001-02-9 OXF-BD-02 0 96.76 Tocris 4928 OXF BD 02 295.121 "Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 |&1:14,r|" FEQUIPXIENTMJN-SFHVURJKSA-N 70699441 BRD-A73891132-001-01-0 OXF-BD-02 0 93.12 Tocris 4928 OXF BD 02 295.121 "Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 |&1:14,r|" FEQUIPXIENTMJN-SFHVURJKSA-N 70699441 BRD-A33447119-001-11-6 oxfendazole 0 96.17 MicroSource 1505296 OXFENDAZOLE 315.068 COC(=O)Nc1nc2ccc(cc2[nH]1)[S@@](=O)c1ccccc1 |r| BEZZFPOZAYTVHN-QFIPXVFZSA-N 12940581 BRD-A33447119-001-10-8 oxfendazole 0 97.28 Selleck S1830 Oxfendazole 315.068 COC(=O)Nc1nc2ccc(cc2[nH]1)[S@@](=O)c1ccccc1 |r| BEZZFPOZAYTVHN-QFIPXVFZSA-N 12940581 BRD-K30373577-001-02-9 oxfenicine 0 100 MedChemEx HY-34588 (???R)-???-Amino-4-hydroxybenzeneacetic acid 167.058 N[C@@H](C(O)=O)c1ccc(O)cc1 LJCWONGJFPCTTL-SSDOTTSWSA-N 89853 BRD-K30373577-001-01-1 oxfenicine 0 0 Enamine Z1198149764 167.058 N[C@@H](C(O)=O)c1ccc(O)cc1 LJCWONGJFPCTTL-SSDOTTSWSA-N 89853 BRD-K52075715-001-07-5 oxibendazole 0 89.12 MicroSource 1503373 OXIBENDAZOLE 249.111 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1 RAOCRURYZCVHMG-UHFFFAOYSA-N 4622 BRD-K52075715-001-06-7 oxibendazole 0 96.34 Selleck S1851 Oxibendazole 249.111 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1 RAOCRURYZCVHMG-UHFFFAOYSA-N 4622 BRD-K56104152-008-04-1 oxiconazole 0 98.63 MicroSource 1505330 OXICONAZOLE NITRATE 426.981 Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 QRJJEGAJXVEBNE-HKOYGPOVSA-N 5353853 BRD-K56104152-008-05-9 oxiconazole 0 97.43 MedChemEx HY-B1324 Oxiconazole nitrate 426.981 Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 QRJJEGAJXVEBNE-HKOYGPOVSA-N 5353853 BRD-K41809988-004-10-9 oxidopamine 0 0 Tocris 2547 6-Hydroxydopamine hydrobromide 169.074 NCCc1cc(O)c(O)cc1O DIVDFFZHCJEHGG-UHFFFAOYSA-N 4624 BRD-K41809988-003-09-3 oxidopamine 0 0 MicroSource 1500450 OXIDOPAMINE HYDROCHLORIDE 169.074 NCCc1cc(O)c(O)cc1O DIVDFFZHCJEHGG-UHFFFAOYSA-N 4624 BRD-K20417253-001-02-7 oxiniacic-acid 0 100 Vitas-M STK012697 nicotinic acid 1-oxide 139.027 OC(=O)c1ccc[n+]([O-])c1 FJCFFCXMEXZEIM-UHFFFAOYSA-N 16976 BRD-K20417253-001-03-9 oxiniacic-acid 0 100 MedChemEx HY-B1061 Nicotinic acid N-oxide 139.027 OC(=O)c1ccc[n+]([O-])c1 FJCFFCXMEXZEIM-UHFFFAOYSA-N 16976 BRD-K20417253-001-01-9 oxiniacic-acid 0 75.78 MicroSource 1506168 OXINIACIC ACID 139.027 OC(=O)c1ccc[n+]([O-])c1 FJCFFCXMEXZEIM-UHFFFAOYSA-N 16976 BRD-K78096648-001-05-7 oxiperomide 0 86.05 Enamine Z130192198 337.179 O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 NVDBBGBUTKLRSN-UHFFFAOYSA-N 68634 BRD-K50677762-001-02-9 oxiracetam 0 100 MedChemEx HY-17554 (R)-Oxiracetam 158.069 NC(=O)CN1C[C@H](O)CC1=O IHLAQQPQKRMGSS-SCSAIBSYSA-N 3051965 BRD-K50677762-001-01-5 oxiracetam 0 100 MedChemEx HY-17554 (R)-Oxiracetam 158.069 NC(=O)CN1C[C@H](O)CC1=O IHLAQQPQKRMGSS-SCSAIBSYSA-N 3051965 BRD-K42596464-048-11-9 oxolamine 0 43.12 MicroSource 1506027 OXOLAMINE CITRATE 245.153 CCN(CC)CCc1nc(no1)-c1ccccc1 IDCHQQSVJAAUQQ-UHFFFAOYSA-N 13738 BRD-K42596464-048-12-9 oxolamine 0 78.78 MedChemEx HY-B1042 Oxolamine (citrate) 245.153 CCN(CC)CCc1nc(no1)-c1ccccc1 IDCHQQSVJAAUQQ-UHFFFAOYSA-N 13738 BRD-K73394555-237-01-1 oxolinic-acid 0 95.97 MicroSource 1502030 OXOLINIC ACID 261.064 CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 KYGZCKSPAKDVKC-UHFFFAOYSA-N 4628 BRD-K73394555-001-10-9 oxolinic-acid 0 91.25 MedChemEx HY-B1002 Oxolinic acid 261.064 CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 KYGZCKSPAKDVKC-UHFFFAOYSA-N 4628 BRD-K31468676-237-02-6 oxonic-acid 0 0 Sigma MFCD00010565 "potassium 4,6-dihydroxy-1,3,5-triazine-2-carboxylate" 157.012 OC(=O)c1nc(=O)[nH]c(=O)[nH]1 RYYCJUAHISIHTL-UHFFFAOYSA-N 4604 BRD-K31468676-237-01-8 oxonic-acid 0 0 AKSci H840 157.012 OC(=O)c1nc(=O)[nH]c(=O)[nH]1 RYYCJUAHISIHTL-UHFFFAOYSA-N 4604 BRD-K13516279-237-01-7 BRD-K01942991-005-09-0 oxotremorine-M 0 97.04 Tocris 1067 "N,N,N-trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium iodide" 195.15 C[N+](C)(C)CC#CCN1CCCC1=O CANZROMYQDHYHR-UHFFFAOYSA-N 4629 BRD-K01942991-005-08-2 oxotremorine-M 0 83.31 Tocris 1067 Oxotremorine M 195.15 C[N+](C)(C)CC#CCN1CCCC1=O CANZROMYQDHYHR-UHFFFAOYSA-N 4629 BRD-K21936341-051-04-0 oxotremorine-sesquifumarate 0 68.9 Tocris 843 Oxotremorine sesquifumarate 206.142 O=C1CCCN1CC#CCN1CCCC1 RSDOPYMFZBJHRL-UHFFFAOYSA-N 4630 BRD-M50913522-361-03-7 BRD-K21936341-051-08-9 oxotremorine-sesquifumarate 0 79.6 Tocris 843 Oxotremorine sesquifumarate 206.142 O=C1CCCN1CC#CCN1CCCC1 RSDOPYMFZBJHRL-UHFFFAOYSA-N 4630 BRD-K21936341-051-03-2 oxotremorine-sesquifumarate 0 69.87 Tocris 843 Oxotremorine sesquifumarate 206.142 O=C1CCCN1CC#CCN1CCCC1 RSDOPYMFZBJHRL-UHFFFAOYSA-N 4630 BRD-M50913522-361-02-9 BRD-A43671941-003-11-9 oxprenolol 0 95.83 Selleck S4344 Oxprenolol HCl 265.168 CC(C)NC[C@@H](O)COc1ccccc1OCC=C |&1:5| CEMAWMOMDPGJMB-CYBMUJFWSA-N 94423 BRD-U77311119-000-01-0 BRD-K59037100-001-15-9 oxybenzone 0 98.47 MedChemEx HY-A0067 Oxybenzone 228.079 COc1ccc(C(=O)c2ccccc2)c(O)c1 DXGLGDHPHMLXJC-UHFFFAOYSA-N 4632 BRD-K59037100-001-14-7 oxybenzone 0 98.13 MicroSource 1500451 OXYBENZONE 228.079 COc1ccc(C(=O)c2ccccc2)c(O)c1 DXGLGDHPHMLXJC-UHFFFAOYSA-N 4632 BRD-K04185004-003-12-7 oxybuprocaine 0 50.78 MicroSource 1505502 BENOXINATE HYDROCHLORIDE 308.21 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC CMHHMUWAYWTMGS-UHFFFAOYSA-N 4633 BRD-K04185004-003-11-9 oxybuprocaine 0 89.75 Selleck S4229 Oxybuprocaine HCl 308.21 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC CMHHMUWAYWTMGS-UHFFFAOYSA-N 4633 BRD-K04185004-003-14-3 oxybuprocaine 0 96.85 Selleck S4229 Benoxinate hydrochloride 308.21 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC CMHHMUWAYWTMGS-UHFFFAOYSA-N 4633 BRD-K04185004-003-13-5 oxybuprocaine 0 94.35 Selleck S4229 Oxybuprocaine HCl 308.21 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC CMHHMUWAYWTMGS-UHFFFAOYSA-N 4633 BRD-K01825580-001-03-9 oxybutynin 0 95.68 MedChemEx HY-B0267 Oxybutynin 357.23 "CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |&1:12,r|" XIQVNETUBQGFHX-QFIPXVFZSA-N 6098167 BRD-K01825580-001-02-9 oxybutynin 0 93.85 Selleck S1754 Oxybutynin (Ditropan) 357.23 "CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |&1:12,r|" XIQVNETUBQGFHX-QFIPXVFZSA-N 6098167 BRD-K07283971-001-01-3 oxyclozanide 0 95.82 MicroSource 1504940 OXYCLOZANIDE 398.879 Oc1c(Cl)cc(Cl)cc1NC(=O)c1c(O)c(Cl)cc(Cl)c1Cl JYWIYHUXVMAGLG-UHFFFAOYSA-N 16779 BRD-K13017451-001-01-6 BRD-K73027814-003-01-0 oxyfedrine 0 94.49 Kemprotec 16777-42-7 "3-{[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride" 313.168 COc1cccc(c1)C(=O)CCN[C@@H](C)[C@H](O)c1ccccc1 GDYUVHBMFVMBAF-LIRRHRJNSA-N 5489013 BRD-K00003713-001-01-9 oxymatrine 0 91.85 MedChemEx HY-N0158 Oxymatrine 264.184 [H][C@]12CCC[N@@+]3([O-])CCC[C@]([H])([C@@]4([H])CCCC(=O)N4C1)[C@]23[H] XVPBINOPNYFXID-JARXUMMXSA-N 24864132 BRD-K16195444-003-25-2 oxymetazoline 0 93.96 Tocris 1142 Oxymetazoline hydrochloride 260.189 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| WYWIFABBXFUGLM-UHFFFAOYSA-N 4636 BRD-K16195444-003-26-0 oxymetazoline 0 99.39 MicroSource 1500453 OXYMETAZOLINE HYDROCHLORIDE 260.189 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| WYWIFABBXFUGLM-UHFFFAOYSA-N 4636 BRD-K16195444-003-24-5 oxymetazoline 0 95.85 Selleck S2495 Oxymetazoline HCl 260.189 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| WYWIFABBXFUGLM-UHFFFAOYSA-N 4636 BRD-A33749298-001-18-3 oxyphenbutazone 0 69.64 MicroSource 1500455 OXYPHENBUTAZONE 324.147 CCCC[C@H]1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1 |r| HFHZKZSRXITVMK-KRWDZBQOSA-N 448033 BRD-A58193911-003-18-7 oxyphencyclimine 0 97.02 MicroSource 1503932 OXYPHENCYCLIMINE HYDROCHLORIDE 344.21 "CN1CCCN=C1COC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |&1:11,c:5|" DUDKAZCAISNGQN-FQEVSTJZSA-N 688541 BRD-A14208071-004-19-8 oxyphenonium 0 92.38 MicroSource 1505783 OXYPHENONIUM BROMIDE 348.254 CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 GFRUPHOKLBPHTQ-UHFFFAOYSA-N 5748 BRD-K31841515-001-07-8 oxypurinol 0 95 AlfaAesar L07160 152.033 O=c1nc2[nH][nH]cc2c(=O)[nH]1 HXNFUBHNUDHIGC-UHFFFAOYSA-N 135398752 BRD-K66808046-065-03-7 oxyquinoline 0 97.72 MicroSource 1500456 OXYQUINOLINE HEMISULFATE 145.053 Oc1cccc2cccnc12 MCJGNVYPOGVAJF-UHFFFAOYSA-N 1923 BRD-K01826559-001-11-9 oxytetracycline 0 0 MedChemEx HY-B0275 Oxytetracycline 460.148 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,5,7,11,30,&1:8,&2:15,t:8,15|" KTUXFHGUHYRDNF-PXOLEDIWSA-N BRD-A56621826-001-01-3 BRD-K01826559-001-10-9 oxytetracycline 0 0 Selleck S1773 Oxytetracycline (Terramycin) 460.148 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,5,7,11,30,&1:8,&2:15,t:8,15|" KTUXFHGUHYRDNF-PXOLEDIWSA-N BRD-K01826559-001-08-9 oxytetracycline 0 0 Selleck S2052 Oxytetracycline dihydrate 460.148 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,5,7,11,30,&1:8,&2:15,t:8,15|" KTUXFHGUHYRDNF-PXOLEDIWSA-N BRD-A78694248-335-01-6 BRD-K01826559-001-09-9 oxytetracycline 0 0 Selleck S1773 Oxytetracycline (Terramycin) 460.148 "CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,5,7,11,30,&1:8,&2:15,t:8,15|" KTUXFHGUHYRDNF-PXOLEDIWSA-N BRD-K25243230-001-01-2 oxytocin 0 84.04 Sigma MFCD00076731 "(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-sec-butyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbo;nyl}-N-((1S)-1-{[(2-amino-2-oxoethyl)amino]carbonyl}-3" 1006.436 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O XNOPRXBHLZRZKH-LGMJNFKNSA-N 133698923 BRD-K25243230-001-02-0 oxytocin 0 67.09 MedChemEx HY-17571 Oxytocin 1006.436 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O XNOPRXBHLZRZKH-LGMJNFKNSA-N 133698923 BRD-A80365673-001-01-1 BRD-K53061490-003-15-9 ozagrel 0 97.74 Tocris 1510 Ozagrel hydrochloride 228.09 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 SHZKQBHERIJWAO-AATRIKPKSA-N 5282440 BRD-K53061490-003-13-9 ozagrel 0 96.99 Selleck S2067 Ozagrel HCl 228.09 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 SHZKQBHERIJWAO-AATRIKPKSA-N 5282440 BRD-K53061490-001-02-6 ozagrel 0 95.65 Selleck S2496 Ozagrel 228.09 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 SHZKQBHERIJWAO-AATRIKPKSA-N 5282440 BRD-K53061490-003-14-7 ozagrel 0 92.28 Tocris 1510 Ozagrel hydrochloride 228.09 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 SHZKQBHERIJWAO-AATRIKPKSA-N 5282440 BRD-K46625559-001-01-8 ozanimod 0 98.03 MedChemEx HY-12288 Ozanimod 404.185 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2[C@H](CCc12)NCCO XRVDGNKRPOAQTN-FQEVSTJZSA-N 52938427 BRD-K00003184-001-01-9 ozenoxacin 0 97.14 MedChemEx HY-14957 Ozenoxacin 363.158 CNc1ncc(cc1C)-c1ccc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1 XPIJWUTXQAGSLK-UHFFFAOYSA-N 9863827 BRD-A72297358-001-01-8 ozolinone 0 78.8 Sigma PH005634 "(2Z)-[3-methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-ylidene]ethanoic acid" 256.088 "CN1C(=O)[C@@H](S\C1=C/C(O)=O)N1CCCCC1 |&1:4,r|" NQFBZYYUAFJYNS-SKVAFPRGSA-N 76959758 BRD-K42336459-001-01-7 p-dimethylinamyl-benzoate 0 26.63 Enamine Z791135158 235.157 CCCCCOC(=O)c1ccc(cc1)N(C)C LXTZRIBXKVRLOA-UHFFFAOYSA-N 26890 BRD-K42336459-001-02-9 p-dimethylinamyl-benzoate 0 65.76 Enamine Z791135158 pentyl 4-(dimethylamino)benzoate 235.157 CCCCCOC(=O)c1ccc(cc1)N(C)C LXTZRIBXKVRLOA-UHFFFAOYSA-N 26890 BRD-K97714174-001-04-9 P22077 0 95.67 Tocris 4485 P 22077 314.984 CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O RMAMGGNACJHXHO-UHFFFAOYSA-N 46931953 BRD-K97714174-001-02-1 P22077 0 96.51 Tocris 4485 P 22077 314.984 CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O RMAMGGNACJHXHO-UHFFFAOYSA-N 46931953 BRD-K97714174-001-01-3 P22077 0 97.13 Selleck S7133 P22077 314.984 CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O RMAMGGNACJHXHO-UHFFFAOYSA-N 46931953 BRD-K51791723-003-01-7 P276-00 0 96.63 Selleck S8058 P276-00 401.103 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl QLUYMIVVAYRECT-OCCSQVGLSA-N 23643976 BRD-K51791723-003-02-5 P276-00 0 97.85 Selleck S8058 P276-00 401.103 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl QLUYMIVVAYRECT-OCCSQVGLSA-N 23643976 BRD-K13606314-001-02-9 P5091 0 92.85 MedChemEx HY-15667 P005091 346.924 CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O LKZLGMAAKNEGCH-UHFFFAOYSA-N 2819993 BRD-K13606314-001-01-3 P5091 0 97.85 Selleck S7132 P5091 (P005091) 346.924 CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O LKZLGMAAKNEGCH-UHFFFAOYSA-N 2819993 BRD-A09487507-001-02-1 P7C3 0 88.39 Tocris 4076 P7C3 471.979 "O[C@@H](CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 |&1:1,r|" FZHHRERIIVOATI-KRWDZBQOSA-N 981442 BRD-A09487507-001-03-9 P7C3 0 95.81 Tocris 4076 P7C3 471.979 "O[C@@H](CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 |&1:1,r|" FZHHRERIIVOATI-KRWDZBQOSA-N 981442 BRD-K11428250-001-02-9 PA-452 0 96.69 Tocris 5086 PA 452 439.283 CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C JJUUTJCZMGZJDZ-UHFFFAOYSA-N 9803242 BRD-K11428250-001-01-0 PA-452 0 96.7 Tocris 5086 PA 452 439.283 CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C JJUUTJCZMGZJDZ-UHFFFAOYSA-N 9803242 BRD-K92991072-001-06-4 PAC-1 0 94.39 Tocris 2581 PAC 1 392.221 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 YQNRVGJCPCNMKT-LFVJCYFKSA-N 9675990 BRD-K92991072-001-05-6 PAC-1 0 96.41 Tocris 2581 PAC 1 392.221 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 YQNRVGJCPCNMKT-LFVJCYFKSA-N 9675990 BRD-K92991072-001-07-9 PAC-1 0 96.12 Tocris 2581 PAC 1 392.221 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 YQNRVGJCPCNMKT-LFVJCYFKSA-N 9675990 BRD-K92991072-001-04-9 PAC-1 0 96.88 Selleck S2738 PAC-1 392.221 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 YQNRVGJCPCNMKT-LFVJCYFKSA-N 9675990 BRD-K62008436-001-25-4 paclitaxel 0 87.32 Tocris 1097 Taxol 853.331 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5| RCINICONZNJXQF-MZXODVADSA-N 36314 BRD-A28746609-001-13-1 BRD-K62008436-001-22-1 paclitaxel 0 91.66 MicroSource 1503908 PACLITAXEL 853.331 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5| RCINICONZNJXQF-MZXODVADSA-N 36314 BRD-A28746609-001-11-5 BRD-K62008436-001-18-9 paclitaxel 0 98.1 Selleck S1150 S1150 853.331 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5| RCINICONZNJXQF-MZXODVADSA-N 36314 BRD-K62008436-001-23-9 paclitaxel 0 97.55 Selleck S1150 Paclitaxel 853.331 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5| RCINICONZNJXQF-MZXODVADSA-N 36314 BRD-A63610676-001-14-1 BRD-K62008436-001-24-7 paclitaxel 0 90.91 Tocris 1097 Taxol 853.331 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5| RCINICONZNJXQF-MZXODVADSA-N 36314 BRD-A28746609-001-10-7 BRD-K05677083-001-06-9 PACOCF3 1 0 Tocris 1460 PACOCF3 308.233 CCCCCCCCCCCCCCCC(=O)C(F)(F)F MAHYXYTYTLCTQD-UHFFFAOYSA-N 4670 BRD-K05677083-001-05-4 PACOCF3 1 0 Tocris 1460 PACOCF3 308.233 CCCCCCCCCCCCCCCC(=O)C(F)(F)F MAHYXYTYTLCTQD-UHFFFAOYSA-N 4670 BRD-K19034817-001-04-8 pacritinib 0 91.11 MedChemEx HY-16379 Pacritinib 472.247 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29| HWXVIOGONBBTBY-ONEGZZNKSA-N 46216796 BRD-K19034817-001-01-4 pacritinib 0 82.93 Selleck S8057 Pacritinib (SB1518) 472.247 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29| HWXVIOGONBBTBY-ONEGZZNKSA-N 46216796 BRD-K19034817-001-02-2 pacritinib 0 75.43 Selleck S8057 Pacritinib (SB1518) 472.247 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29| HWXVIOGONBBTBY-ONEGZZNKSA-N 46216796 BRD-K00003493-001-01-9 padsevonil 0 88.29 MedChemEx HY-109009 Padsevonil 432.045 COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(nc2s1)C(F)(F)F DCXFIOLWWRXEQH-SSDOTTSWSA-N 52911611 BRD-K83631119-001-04-9 paeoniflorin 0 92.42 MedChemEx HY-N0293 Paeoniflorin 480.163 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O YKRGDOXKVOZESV-WRJNSLSBSA-N 442534 BRD-K83631119-001-02-1 paeoniflorin 0 80.79 Selleck S2410 Paeoniflorin 480.163 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O YKRGDOXKVOZESV-WRJNSLSBSA-N 442534 BRD-K83631119-001-03-9 paeoniflorin 0 73.39 Selleck S2410 Paeoniflorin 480.163 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O YKRGDOXKVOZESV-WRJNSLSBSA-N 442534 BRD-K77265172-001-01-2 BRD-K94239562-001-06-9 paeonol 0 50.99 MedChemEx HY-N0159 Paeonol 166.063 COc1ccc(C(C)=O)c(O)c1 UILPJVPSNHJFIK-UHFFFAOYSA-N 11092 BRD-K94239562-001-05-5 paeonol 0 94.76 Selleck S2339 Paeonol 166.063 COc1ccc(C(C)=O)c(O)c1 UILPJVPSNHJFIK-UHFFFAOYSA-N 11092 BRD-K68805147-001-01-8 pafuramidine 0 94.73 MedChemEx HY-14932 Pafuramidine 364.154 CON=C(N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=NOC UKOQVLAXCBRRGH-UHFFFAOYSA-N 6529858 BRD-K68805147-001-02-9 pafuramidine 0 96.24 MedChemEx HY-14932 Pafuramidine 364.154 CON=C(N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=NOC UKOQVLAXCBRRGH-UHFFFAOYSA-N 6529858 BRD-K00003428-001-01-9 pagoclone 0 89.95 MedChemEx HY-101665 Pagoclone 407.14 "CC(C)CCC(=O)C[C@@H]1N(C(=O)c2ccccc12)c1ccc2ccc(Cl)nc2n1 |&1:8,r|" HIUPRQPBWVEQJJ-IBGZPJMESA-N 25273635 BRD-K51313569-001-07-8 palbociclib 0 89.77 Selleck S1116 Palbociclib 447.238 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O AHJRHEGDXFFMBM-UHFFFAOYSA-N 5330286 BRD-K51313569-003-03-3 palbociclib 0 94.04 Selleck S1116 Palbociclib (PD-0332991) HCl 447.238 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O AHJRHEGDXFFMBM-UHFFFAOYSA-N 5330286 BRD-K51313569-001-11-0 palbociclib 0 86.33 Selleck S1116 Palbociclib (PD-0332991) HCl 447.238 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O "InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)" 5330286 BRD-K12047401-001-02-3 palifosfamide 0 0 MedChemEx HY-14798 Palifosfamide 219.994 OP(=O)(NCCCl)NCCCl BKCJZNIZRWYHBN-UHFFFAOYSA-N 100427 BRD-K12047401-001-01-5 palifosfamide 1 0 MedChemEx HY-14798 Palifosfamide 219.994 OP(=O)(NCCCl)NCCCl BKCJZNIZRWYHBN-UHFFFAOYSA-N 100427 BRD-A99888680-001-06-9 paliperidone 0 93.03 Tocris 4493 Paliperidone 426.207 "Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 |&1:4,r|" PMXMIIMHBWHSKN-IBGZPJMESA-N 9823781 BRD-A99888680-001-04-6 paliperidone 0 96.4 MicroSource 1502318 PALIPERIDONE 426.207 "Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 |&1:4,r|" PMXMIIMHBWHSKN-IBGZPJMESA-N 9823781 BRD-K00665454-001-02-2 BRD-A99888680-001-05-3 paliperidone 0 88.51 Selleck S1724 Paliperidone (Invega) 426.207 "Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 |&1:4,r|" PMXMIIMHBWHSKN-IBGZPJMESA-N 9823781 BRD-K00665454-001-01-4 BRD-A99888680-001-03-8 paliperidone 0 92.86 Selleck S1724 Paliperidone 426.207 "Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 |&1:4,r|" PMXMIIMHBWHSKN-IBGZPJMESA-N 9823781 BRD-K58466253-003-15-9 palmatine-chloride 0 89.73 MedChemEx HY-N0110 Palmatine (chloride) 352.155 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC QUCQEUCGKKTEBI-UHFFFAOYSA-N 19009 BRD-K58466253-003-14-0 palmatine-chloride 0 95.74 Selleck S2397 Palmatine chloride 352.155 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC QUCQEUCGKKTEBI-UHFFFAOYSA-N 19009 BRD-K91356052-001-04-0 palmitoleic-acid 0 97.5 Sigma MFCD00004437 (9Z)-9-hexadecenoic acid 254.225 CCCCCC\C=C/CCCCCCCC(O)=O SECPZKHBENQXJG-FPLPWBNLSA-N 445638 BRD-K01826784-003-09-9 palmitoylcarnitine 0 83.5 Tocris 609 (+/-)-Palmitoylcarnitine chloride 400.343 CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(O)=O)C[N+](C)(C)C |&1:18| XOMRRQXKHMYMOC-NRFANRHFSA-O 16903 BRD-K01826784-003-08-9 palmitoylcarnitine 0 100 Tocris 609 (?)-Palmitoylcarnitine chloride 436.319 CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(O)=O)C[N+](C)(C)C |&1:18| XOMRRQXKHMYMOC-NRFANRHFSA-O 16903 BRD-K68095457-001-11-9 palmitoylethanolamide 0 91.3 MicroSource 1506156 PALMIDROL [5mM] 299.282 CCCCCCCCCCCCCCCC(=O)NCCO HXYVTAGFYLMHSO-UHFFFAOYSA-N 4671 BRD-K68095457-001-10-1 palmitoylethanolamide 0 96.53 Tocris 879 Palmitoylethanolamide 299.282 CCCCCCCCCCCCCCCC(=O)NCCO HXYVTAGFYLMHSO-UHFFFAOYSA-N 4671 BRD-A50998626-001-03-9 palomid-529 0 95.63 MedChemEx HY-14581 Palomid 529 406.142 "COc1ccc(COc2cc3oc(=O)c4cc(ccc4c3cc2OC)[C@@H](C)O)cc1 |&1:25,r|" YEAHTLOYHVWAKW-CQSZACIVSA-N 86324425 BRD-A50998626-001-02-1 palomid-529 0 94.07 Selleck S2238 Palomid 529 (P529) 406.142 "COc1ccc(COc2cc3oc(=O)c4cc(ccc4c3cc2OC)[C@@H](C)O)cc1 |&1:25,r|" YEAHTLOYHVWAKW-CQSZACIVSA-N 86324425 BRD-K08924299-003-07-9 palonosetron 0 95.46 MedChemEx HY-A0021 Palonosetron (Hydrochloride) 296.189 O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 CPZBLNMUGSZIPR-NVXWUHKLSA-N 6337614 BRD-K08924299-003-06-1 palonosetron 0 97.7 Selleck S3050 Palonosetron HCl 296.189 O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 CPZBLNMUGSZIPR-NVXWUHKLSA-N 6337614 BRD-K07682953-001-01-8 palosuran 0 98.46 MedChemEx HY-10655 Palosuran 418.237 Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 WYJCYXOCHXWTHG-UHFFFAOYSA-N 10173280 BRD-K83794243-001-01-8 palovarotene 0 89.92 MedChemEx HY-14799 Palovarotene 414.231 CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)c(Cn3cccn3)cc12 YTFHCXIPDIHOIA-DHZHZOJOSA-N 10295295 BRD-K83794243-001-02-9 palovarotene 0 93.11 MedChemEx HY-14799 Palovarotene 414.231 CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)c(Cn3cccn3)cc12 YTFHCXIPDIHOIA-DHZHZOJOSA-N 10295295 BRD-M67659203-001-01-9 pamabrom 1 0 MicroSource 1505951 PAMABROM 347.059 CC(C)(N)CO.Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O ATOTUUBRFJHZQG-UHFFFAOYSA-N 11806 BRD-M67659203-001-02-7 pamabrom 1 0 Sigma PHR1299-1G Pamabrom 347.059 CC(C)(N)CO.Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O ATOTUUBRFJHZQG-UHFFFAOYSA-N 11806 BRD-K58513245-304-03-5 pamidronate 1 0 Selleck S1311 Pamidronate Disodium 235.001 NCCC(O)(P(O)(O)=O)P(O)(O)=O WRUUGTRCQOWXEG-UHFFFAOYSA-N 4674 BRD-K58513245-304-02-7 pamidronate 1 0 Selleck S1311 Pamidronate Disodium 235.001 NCCC(O)(P(O)(O)=O)P(O)(O)=O WRUUGTRCQOWXEG-UHFFFAOYSA-N 4674 BRD-K00003461-001-01-9 pamiparib 0 97.75 MedChemEx HY-104044 Pamiparib 298.123 C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 DENYZIUJOTUUNY-MRXNPFEDSA-N 135565554 BRD-K50817623-303-08-9 pancuronium 0 0 Tocris 693 Pancuronium dibromide 572.455 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 GVEAYVLWDAFXET-XGHATYIMSA-N 441289 BRD-K50817623-303-05-7 pancuronium 0 100 Selleck S2497 Pancuronium (Pavulon) 572.455 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 GVEAYVLWDAFXET-XGHATYIMSA-N 441289 BRD-K50817623-303-07-9 pancuronium 0 99.2 MedChemEx HY-B0429 Pancuronium (dibromide) 572.455 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 GVEAYVLWDAFXET-XGHATYIMSA-N 441289 BRD-K50817623-303-06-5 pancuronium 0 0 Selleck S2497 Pancuronium dibromide 572.455 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 GVEAYVLWDAFXET-XGHATYIMSA-N 441289 BRD-K25166838-303-01-1 BRD-K00004671-001-01-9 panipenem 0 17.51 Adooq A13096 "(5R,6S)-3-[(3S)-1-(1-aminovinyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" 339.125 C[C@@H](O)[C@@H]1[C@H]2CC(S[C@H]3CCN(C3)C(N)=C)=C(N2C1=O)C(O)=O |c:16| UIWSCWBHZRPIKR-DLYFRVTGSA-N BRD-K02130563-001-15-5 panobinostat 0 76.8 MedChemEx HY-10224 Panobinostat 349.179 Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 FPOHNWQLNRZRFC-ZHACJKMWSA-N 6918837 BRD-K02130563-001-14-8 panobinostat 0 74.94 MedChemEx HY-10224 Panobinostat 349.179 Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 FPOHNWQLNRZRFC-ZHACJKMWSA-N 6918837 BRD-K02130563-001-12-2 panobinostat 0 81.65 Selleck S1030 Panobinostat 349.179 Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 FPOHNWQLNRZRFC-ZHACJKMWSA-N 6918837 BRD-K02130563-001-11-4 panobinostat 0 81.62 Selleck S1030 Panobinostat (LBH589) 349.179 Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 FPOHNWQLNRZRFC-ZHACJKMWSA-N 6918837 BRD-K68764924-001-03-2 pantethine 0 97.01 Sigma P3280 "(2R)-N-[(17R)-17,19-dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethylbutanamide" 554.244 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO DJWYOLJPSHDSAL-ROUUACIJSA-N 452306 BRD-K68764924-001-05-7 pantethine 0 94.77 MedChemEx HY-B1028 Pantethine 554.244 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO DJWYOLJPSHDSAL-ROUUACIJSA-N 452306 BRD-K68764924-001-06-9 pantethine 0 83.03 MedChemEx HY-B1028 Pantethine 554.244 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO DJWYOLJPSHDSAL-ROUUACIJSA-N 452306 BRD-K68764924-001-04-0 pantethine 0 82.93 MedChemEx HY-B1028 Pantethine 554.244 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO DJWYOLJPSHDSAL-ROUUACIJSA-N 452306 BRD-K00003243-236-01-9 pantoprazole 0 98.13 MedChemEx HY-17507A Pantoprazole (sodium) 383.075 COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC |&1:8| IQPSEEYGBUAQFF-AREMUKBSSA-N 11181988 BRD-K29392254-236-05-9 pantothenic-acid 0 100 MedChemEx HY-B0430A D-Pantothenic acid (sodium) 219.111 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O GHOKWGTUZJEAQD-ZETCQYMHSA-N 6613 BRD-K29392254-236-01-6 pantothenic-acid 0 83.52 MicroSource 1505715 PANTOTHENIC ACID(d) Na salt 219.111 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O GHOKWGTUZJEAQD-ZETCQYMHSA-N 6613 BRD-K29392254-001-02-2 pantothenic-acid 0 84.04 Selleck S2498 D-Pantothenic acid 219.111 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O GHOKWGTUZJEAQD-ZETCQYMHSA-N 6613 BRD-K29392254-001-03-0 pantothenic-acid 0 86.63 Selleck S2498 D-Pantothenic acid 219.111 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O GHOKWGTUZJEAQD-ZETCQYMHSA-N 6613 BRD-K18573821-001-03-9 PAOPA 0 82.29 Tocris 5041 PAOPA 254.138 NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O QXHVGEXNEZRSGG-JGVFFNPUSA-N 44281634 BRD-K18573821-001-02-4 PAOPA 0 69.39 Tocris 5041 PAOPA 254.138 NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O QXHVGEXNEZRSGG-JGVFFNPUSA-N 44281634 BRD-K15567136-003-27-2 papaverine 0 99.78 MicroSource 1500459 PAPAVERINE HYDROCHLORIDE 339.147 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC XQYZDYMELSJDRZ-UHFFFAOYSA-N 4680 BRD-K00003371-001-01-9 paquinimod 0 72.44 MedChemEx HY-100442 Paquinimod 350.163 CCN(C(=O)c1c(O)c2c(CC)cccc2n(C)c1=O)c1ccccc1 DIKSYHCCYVYKRO-UHFFFAOYSA-N 54684617 BRD-K62412084-001-08-9 para-toluenesulfonamide 0 98.19 MedChemEx HY-79602 p-Tosylamide 171.035 Cc1ccc(cc1)S(N)(=O)=O LMYRWZFENFIFIT-UHFFFAOYSA-N 6269 BRD-K62412084-001-07-1 para-toluenesulfonamide 0 97.72 Enamine Z45415564 171.035 Cc1ccc(cc1)S(N)(=O)=O LMYRWZFENFIFIT-UHFFFAOYSA-N 6269 BRD-K41524689-001-25-0 paracetamol 0 75.41 Tocris 1706 Acetaminophen 151.063 CC(=O)Nc1ccc(O)cc1 RZVAJINKPMORJF-UHFFFAOYSA-N 1983 BRD-K41524689-001-23-5 paracetamol 0 95 MicroSource 1500101 ACETAMINOPHEN 151.063 CC(=O)Nc1ccc(O)cc1 RZVAJINKPMORJF-UHFFFAOYSA-N 1983 BRD-K41524689-001-22-7 paracetamol 0 91.93 Tocris 1706 Acetaminophen 151.063 CC(=O)Nc1ccc(O)cc1 RZVAJINKPMORJF-UHFFFAOYSA-N 1983 BRD-K41524689-001-05-2 paracetamol 0 Prestwick Prestw-868 Acetaminophen 151.063 CC(=O)Nc1ccc(O)cc1 "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" 1983 BRD-K40992116-001-10-9 parachlorophenol 0 16.2 MedChemEx HY-75103 4-chlorophenol 128.003 Oc1ccc(Cl)cc1 WXNZTHHGJRFXKQ-UHFFFAOYSA-N 4684 BRD-K40992116-001-09-7 parachlorophenol 0 89.27 MicroSource 1500460 PARACHLOROPHENOL 128.003 Oc1ccc(Cl)cc1 WXNZTHHGJRFXKQ-UHFFFAOYSA-N 4684 BRD-A22128695-001-02-6 paramethadione 0 15 MicroSource 1505456 PARAMETHADIONE 157.074 "CC[C@@]1(C)OC(=O)N(C)C1=O |&1:2,r|" VQASKUSHBVDKGU-SSDOTTSWSA-N 51380897 BRD-A22128695-001-03-4 paramethadione 0 0 Enamine Z2327506990 "5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione" 157.074 "CC[C@@]1(C)OC(=O)N(C)C1=O |&1:2,r|" VQASKUSHBVDKGU-SSDOTTSWSA-N 51380897 BRD-K24084088-001-11-3 paraxanthine 0 97.98 Enzo AC633 Paraxanthine 180.065 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 QUNWUDVFRNGTCO-UHFFFAOYSA-N 4687 BRD-K24084088-001-12-9 paraxanthine 0 94.51 Sigma MFCD00005727 "1,7-Dimethylxanthine" 180.065 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 QUNWUDVFRNGTCO-UHFFFAOYSA-N 4687 BRD-K02407574-001-09-7 parbendazole 0 98.82 Prestwick Prestw-1110 Parbendazole 247.132 CCCCc1ccc2nc(NC(=O)OC)[nH]c2c1 YRWLZFXJFBZBEY-UHFFFAOYSA-N 26596 BRD-K00004740-001-01-9 parcetasal 0 95.17 MedChemEx HY-U00100 Parcetasal 313.095 "CC(=O)Nc1ccc(O[C@]2(C)OC(=O)c3ccccc3O2)cc1 |&1:9,r|" ZAPRLADYRFPQSH-KRWDZBQOSA-N 76961763 BRD-K11851476-003-01-7 pardoprunox 0 96.94 MedChemEx HY-14958A Pardoprunox (hydrochloride) 233.116 CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 YVPUUUDAZYFFQT-UHFFFAOYSA-N 6918525 BRD-K13800121-001-01-5 parecoxib 0 99.02 MedChemEx HY-17474 Parecoxib 370.099 CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1 TZRHLKRLEZJVIJ-UHFFFAOYSA-N 119828 BRD-K13800121-001-03-9 parecoxib 0 97.05 MedChemEx HY-17474 Parecoxib 370.099 CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1 TZRHLKRLEZJVIJ-UHFFFAOYSA-N 119828 BRD-K54799382-003-08-4 parethoxycaine 0 91.8 ChemBridge 6771521 265.168 CCOc1ccc(cc1)C(=O)OCCN(CC)CC OWWVHQUOYSPNNE-UHFFFAOYSA-N 7183 BRD-K83597974-003-23-9 pargyline 0 91.94 MedChemEx HY-A0091 Pargyline (hydrochloride) 159.105 CN(CC#C)Cc1ccccc1 DPWPWRLQFGFJFI-UHFFFAOYSA-N 4688 BRD-K83597974-003-22-2 pargyline 0 99.36 MicroSource 1500462 PARGYLINE HYDROCHLORIDE 159.105 CN(CC#C)Cc1ccccc1 DPWPWRLQFGFJFI-UHFFFAOYSA-N 4688 BRD-K60585088-001-03-9 paricalcitol 0 94.64 MedChemEx HY-50919 Paricalcitol 416.329 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1 BPKAHTKRCLCHEA-UBFJEZKGSA-N 5281104 BRD-K60585088-001-01-5 paricalcitol 0 98.6 MedChemEx HY-50919 Paricalcitol 416.329 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1 BPKAHTKRCLCHEA-UBFJEZKGSA-N 5281104 BRD-K89920762-001-01-4 paritaprevir 0 97.16 MedChemEx HY-12594 Paritaprevir 765.294 Cc1cnc(cn1)C(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)Oc1nc2ccccc2c2ccccc12)C(=O)NS(=O)(=O)C1CC1 |c:17| UAUIUKWPKRJZJV-QPLHLKROSA-N 45110509 BRD-K36524108-065-06-5 paromomycin 0 0 MicroSource 1503228 PAROMOMYCIN SULFATE 615.296 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O UOZODPSAJZTQNH-LSWIJEOBSA-N 165580 BRD-A20920572-065-04-7 BRD-K36524108-065-04-0 paromomycin 0 97.2 MedChemEx HY-B0956 Paromomycin (sulfate) 615.296 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O UOZODPSAJZTQNH-LSWIJEOBSA-N 165580 BRD-K36524108-065-07-3 paromomycin 0 0 Sigma S______P9297 615.296 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O UOZODPSAJZTQNH-LSWIJEOBSA-N 165580 BRD-M40700687-001-01-8 BRD-K36524108-065-05-7 paromomycin 0 0 Selleck S4183 Paromomycin Sulfate 615.296 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O UOZODPSAJZTQNH-LSWIJEOBSA-N 165580 BRD-K25359791-065-01-2 BRD-K36524108-065-03-2 paromomycin 0 0 Selleck S4183 Paromomycin Sulfate 615.296 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O UOZODPSAJZTQNH-LSWIJEOBSA-N 165580 BRD-K37991163-003-14-2 paroxetine 0 91.01 MicroSource 1504085 PAROXETINE HYDROCHLORIDE 329.143 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 AHOUBRCZNHFOSL-YOEHRIQHSA-N 43815 BRD-K37991163-050-18-4 paroxetine 0 83.25 Tocris 2141 Paroxetine maleate 329.143 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 AHOUBRCZNHFOSL-YOEHRIQHSA-N 43815 BRD-K37991163-003-13-4 paroxetine 0 94.73 Selleck S3005 Paroxetine HCl 329.143 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 AHOUBRCZNHFOSL-YOEHRIQHSA-N 43815 BRD-K07441213-001-20-9 paroxypropione 0 97.55 MedChemEx HY-B1353 Paroxypropione 150.068 CCC(=O)c1ccc(O)cc1 RARSHUDCJQSEFJ-UHFFFAOYSA-N 6271 BRD-K07441213-001-18-9 paroxypropione 0 93.24 MicroSource 1506169 PAROXYPROPIONE 150.068 CCC(=O)c1ccc(O)cc1 RARSHUDCJQSEFJ-UHFFFAOYSA-N 6271 BRD-K00004594-001-01-9 parsaclisib 0 97.97 MedChemEx HY-109068 Parsaclisib 432.148 CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 ZQPDJCIXJHUERQ-QWRGUYRKSA-N 86677874 BRD-K98548675-001-06-7 parthenolide 0 94.73 Tocris 610 Parthenolide 248.141 C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1| KTEXNACQROZXEV-SLXBATTESA-N 6473881 BRD-K98548675-001-09-9 parthenolide 0 87.31 Tocris 610 Parthenolide 248.141 C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1| KTEXNACQROZXEV-SLXBATTESA-N 6473881 BRD-K98548675-001-05-9 parthenolide 0 96.19 Tocris 610 Parthenolide 248.141 C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1| KTEXNACQROZXEV-SLXBATTESA-N 6473881 BRD-K34851558-001-02-3 parthenolide-(-) 0 96.2 Selleck S2341 (-)-Parthenolide 248.141 C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |t:1| KTEXNACQROZXEV-QLIGOWBFSA-N 5420805 BRD-K28120222-001-09-9 parthenolide-(alternate-stereo) 0 82 MedChemEx HY-N0141 Parthenolide 248.141 C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1| KTEXNACQROZXEV-PVLRGYAZSA-N 7251185 BRD-K28120222-001-08-4 parthenolide-(alternate-stereo) 0 97.8 Prestwick Prestw-550 Parthenolide 248.141 C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |c:1| KTEXNACQROZXEV-PVLRGYAZSA-N 7251185 BRD-K59715032-362-02-9 pasireotide 0 92.83 MedChemEx HY-79135 Pasireotide (ditrifluoroacetate) 1046.501 NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O)OC(=O)NCCN)c1ccccc1 VMZMNAABQBOLAK-DBILLSOUSA-N 9941444 BRD-K59715032-362-01-4 pasireotide 0 87.58 MedChemEx HY-79135 Pasireotide (ditrifluoroacetate) 1046.501 NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O)OC(=O)NCCN)c1ccccc1 VMZMNAABQBOLAK-DBILLSOUSA-N 9941444 BRD-K00003481-001-01-9 PAT-1251 0 86.27 MedChemEx HY-107422 PAT-1251 399.121 NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F ODGXXYXJORZPHE-ZIAGYGMSSA-N 122536283 BRD-K00003170-001-01-9 pavinetant 0 97.33 MedChemEx HY-14432 Pavinetant 459.162 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 QYTBBBAHNIWFOD-NRFANRHFSA-N 23649245 BRD-K74514084-003-09-2 pazopanib 0 98.3 Selleck S1035 Pazopanib HCl (GW786034 HCl) 437.163 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 CUIHSIWYWATEQL-UHFFFAOYSA-N 10113978 BRD-K74514084-001-03-9 pazopanib 0 98.32 Selleck S3012 Pazopanib 437.163 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 CUIHSIWYWATEQL-UHFFFAOYSA-N 10113978 BRD-K66412701-066-09-9 pazufloxacin 0 96.98 MedChemEx HY-B0724A Pazufloxacin (mesylate) 318.102 C[C@H]1COc2c(c(F)cc3c2n1cc(C(O)=O)c3=O)C1(N)CC1 XAGMUUZPGZWTRP-ZETCQYMHSA-N 65957 BRD-K66412701-066-01-6 pazufloxacin 0 97.79 MicroSource 1502319 PAZUFLOXACIN MESYLATE 318.102 C[C@H]1COc2c(c(F)cc3c2n1cc(C(O)=O)c3=O)C1(N)CC1 XAGMUUZPGZWTRP-ZETCQYMHSA-N 65957 BRD-K00003391-236-01-9 PBI-4050 0 91.94 MedChemEx HY-100775 PBI-4050 (sodium salt) 206.131 CCCCCc1cccc(CC(O)=O)c1 PEGQOIGYZLJMIB-UHFFFAOYSA-N 24749700 BRD-K00004615-001-01-9 PBT-1033 0 83.21 Astatech P17129 PBT-1033 270.033 CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 YZPOQCQXOSEMAZ-UHFFFAOYSA-N 10016012 BRD-A29289453-001-05-4 PCA-4248 0 91.88 Tocris 571 PCA 4248 361.135 "COC(=O)C1=C(C)NC(C)=C([C@@H]1C)C(=O)OCCSc1ccccc1 |&1:11,r,c:4,9|" DHCNAWNKZMNTIS-GFCCVEGCSA-N 6604734 BRD-A29289453-001-06-9 PCA-4248 0 91.18 Tocris 571 PCA 4248 361.135 "COC(=O)C1=C(C)NC(C)=C([C@@H]1C)C(=O)OCCSc1ccccc1 |&1:11,r,c:4,9|" DHCNAWNKZMNTIS-GFCCVEGCSA-N 6604734 BRD-A29289453-001-04-7 PCA-4248 0 87.64 Tocris 571 PCA 4248 361.135 "COC(=O)C1=C(C)NC(C)=C([C@@H]1C)C(=O)OCCSc1ccccc1 |&1:11,r,c:4,9|" DHCNAWNKZMNTIS-GFCCVEGCSA-N 6604734 BRD-K12867552-001-04-7 PCI-24781 0 90.76 Selleck S1090 PCI-24781 (Abexinostat) 397.164 CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO MAUCONCHVWBMHK-UHFFFAOYSA-N 11749858 BRD-K00003213-001-01-9 PCI-27483 0 93.54 MedChemEx HY-16382 PCI-27483 596.133 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc(c1O)-c1cc(ccc1O)S(N)(=O)=O WDJHHCAKBRKCLW-IBGZPJMESA-N 135425273 BRD-K71223042-001-03-9 PCI-29732 0 97.95 Tocris 5012 PCI 29732 371.175 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 GMJUPMONHWAZCP-UHFFFAOYSA-N 22347110 BRD-K71223042-001-01-5 PCI-29732 0 0 Tocris 5012 PCI 29732 371.175 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 GMJUPMONHWAZCP-UHFFFAOYSA-N 22347110 BRD-K88742110-001-11-9 PCI-34051 0 96.48 Tocris 4643 PCI 34051 296.116 COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 AJRGHIGYPXNABY-UHFFFAOYSA-N 24753719 BRD-K88742110-001-09-5 PCI-34051 0 85.17 Tocris 4643 PCI 34051 296.116 COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 AJRGHIGYPXNABY-UHFFFAOYSA-N 24753719 BRD-K88742110-001-07-9 PCI-34051 0 80.25 Selleck S2012 PCI-34051 296.116 COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 AJRGHIGYPXNABY-UHFFFAOYSA-N 24753719 BRD-K88742110-001-08-7 PCI-34051 0 88.28 Selleck S2012 PCI-34051 296.116 COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 AJRGHIGYPXNABY-UHFFFAOYSA-N 24753719 BRD-K52721684-001-03-0 PCO-400 0 32.31 Enzo KC131 PCO-400 299.116 CC1(C)Oc2ccc(cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O)C#N |t:13| WJBHHTPFTVKZCV-CVEARBPZSA-N 129348 BRD-K52721684-001-04-8 PCO-400 0 90.29 SantaCruz sc-200989 PCO 400 299.116 CC1(C)Oc2ccc(cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O)C#N |t:13| WJBHHTPFTVKZCV-CVEARBPZSA-N 129348 BRD-K49865102-001-08-4 PD-0325901 0 95.2 Selleck S1036 PD0325901 481.995 OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F SUDAHWBOROXANE-SECBINFHSA-N 9826528 BRD-A89337244-001-03-7 PD-102807 0 78.87 Tocris 1671 PD 102807 392.174 "CCOC(=O)c1c(C)[nH]c2ccc3O[C@H]4N(CCc5cc(OC)ccc45)Cc3c12 |&1:14,r|" VDDUJINYXKGZLV-JOCHJYFZSA-N 92845316 BRD-A89337244-001-04-9 PD-102807 0 90.95 Tocris 1671 PD 102807 392.174 "CCOC(=O)c1c(C)[nH]c2ccc3O[C@H]4N(CCc5cc(OC)ccc45)Cc3c12 |&1:14,r|" VDDUJINYXKGZLV-JOCHJYFZSA-N 92845316 BRD-A89337244-001-02-9 PD-102807 0 88.27 Tocris 1671 PD 102807 392.174 "CCOC(=O)c1c(C)[nH]c2ccc3O[C@H]4N(CCc5cc(OC)ccc45)Cc3c12 |&1:14,r|" VDDUJINYXKGZLV-JOCHJYFZSA-N 92845316 BRD-K34657753-001-01-9 PD-118057 0 94.44 Sigma MFCD08705328 "2-{4-[2-(3,4-dichlorophenyl)ethyl]anilino}benzoic acid" 385.064 OC(=O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 ZCQOSCDABPVAFB-UHFFFAOYSA-N 9864959 BRD-K34713073-362-02-9 PD-123319 0 96.91 Tocris 1361 PD 123319 ditrifluoroacetate 508.247 CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C YSTVFDAKLDMYCR-NDEPHWFRSA-N 5311345 BRD-K34713073-001-01-3 PD-123319 0 95.92 Selleck S7098 PD123319 508.247 CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C YSTVFDAKLDMYCR-NDEPHWFRSA-N 5311345 BRD-K34713073-362-01-9 PD-123319 0 95.55 Tocris 1361 PD 123319 ditrifluoroacetate 508.247 CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C YSTVFDAKLDMYCR-NDEPHWFRSA-N 5311345 BRD-K62456038-003-08-9 PD-128907 0 93.45 MedChemEx HY-110000 (+)-PD 128907 hydrochloride 249.136 CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 YOILXOMTHPUMRG-TZMCWYRMSA-N 5311346 BRD-K62456038-003-09-9 PD-128907 0 90.26 Tocris 1243 (+)-PD 128907 hydrochloride 249.136 CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 YOILXOMTHPUMRG-TZMCWYRMSA-N 5311346 BRD-K62456038-003-07-1 PD-128907 0 89.86 Tocris 1243 (+)-PD 128907 hydrochloride 249.136 CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 YOILXOMTHPUMRG-TZMCWYRMSA-N 5311346 BRD-K26603252-003-04-9 PD-153035 0 98.35 MedChemEx HY-12013 PD153035 (Hydrochloride) 359.027 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC LSPANGZZENHZNJ-UHFFFAOYSA-N 4705 BRD-K13826399-236-01-7 PD-156707 0 71.03 Sigma PZ0141 "sodium (2Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)-2-butenoate" 506.158 COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C(O)=O)c1ccc2OCOc2c1 OFCTYBMKKTVKCR-QQTULTPQSA-N 9871594 BRD-K48735772-001-04-8 PD-158780 0 23.87 Tocris 2615 PD 158780 329.028 CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 KFHMLBXBRCITHF-UHFFFAOYSA-N 4707 BRD-K48735772-001-03-0 PD-158780 0 69.87 Tocris 2615 PD 158780 329.028 CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 KFHMLBXBRCITHF-UHFFFAOYSA-N 4707 BRD-K48735772-001-01-4 PD-158780 0 Tocris 2615 PD 158780 329.028 CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 "InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)" 4707 BRD-K12079898-001-03-4 PD-160170 0 95.73 Tocris 2200 PD 160170 371.094 CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O YUVNGBZROXQYQH-UHFFFAOYSA-N 9820766 BRD-K12079898-001-02-6 PD-160170 0 97.6 Tocris 2200 PD 160170 371.094 CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O YUVNGBZROXQYQH-UHFFFAOYSA-N 9820766 BRD-K12079898-001-04-9 PD-160170 0 96.79 Tocris 2200 PD 160170 371.094 CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O YUVNGBZROXQYQH-UHFFFAOYSA-N 9820766 BRD-K97152684-001-02-7 PD-161570 0 86.49 Tocris 3724 PD 161570 531.228 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl MKVMEJKNLUWFSQ-UHFFFAOYSA-N 5328135 BRD-K97152684-001-01-9 PD-161570 0 73.55 Tocris 3724 PD 161570 531.228 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl MKVMEJKNLUWFSQ-UHFFFAOYSA-N 5328135 BRD-K97152684-001-03-9 PD-161570 0 92.98 Tocris 3724 PD 161570 531.228 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl MKVMEJKNLUWFSQ-UHFFFAOYSA-N 5328135 BRD-K93217218-300-01-5 PD-166285 0 97.44 Tocris 3785 PD 166285 dihydrochloride 511.154 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 IFPPYSWJNWHOLQ-UHFFFAOYSA-N 5311382 BRD-K93217218-300-03-9 PD-166285 0 94.49 Tocris 3785 PD 166285 dihydrochloride 511.154 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 IFPPYSWJNWHOLQ-UHFFFAOYSA-N 5311382 BRD-K60984070-001-02-8 PD-166793 0 92.62 Tocris 2520 PD 166793 411.014 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O GJOCABIDMCKCEG-INIZCTEOSA-N 9887870 BRD-K60984070-001-01-0 PD-166793 0 98.52 Tocris 2520 PD 166793 411.014 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O GJOCABIDMCKCEG-INIZCTEOSA-N 9887870 BRD-K60984070-001-03-9 PD-166793 0 97.21 Tocris 2520 PD 166793 411.014 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O GJOCABIDMCKCEG-INIZCTEOSA-N 9887870 BRD-K47761761-050-07-8 PD-168077 0 20.24 Tocris 1065 PD 168077 maleate 334.179 Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N DNULYRGWTFLJQL-UHFFFAOYSA-N 3645619 BRD-K17702546-001-03-2 PD-168393 0 96.92 Selleck S7039 PD168393 368.027 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 HTUBKQUPEREOGA-UHFFFAOYSA-N 4708 BRD-K17702546-001-06-5 PD-168393 0 Selleck S7039 PD168393 368.027 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 "InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)" 4708 BRD-A82013137-300-01-1 PD-168568 0 96.65 Tocris 3529 PD 168568 dihydrochloride 349.215 Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1 |&1:14| WQEPZBNLBWDIRZ-OAQYLSRUSA-N 9928335 BRD-A82013137-300-02-9 PD-168568 0 96.53 Tocris 3529 PD 168568 dihydrochloride 349.215 Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1 |&1:14| WQEPZBNLBWDIRZ-OAQYLSRUSA-N 9928335 BRD-K97764662-001-21-5 PD-173074 0 85.38 Tocris 3044 PD 173074 523.327 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1 DXCUKNQANPLTEJ-UHFFFAOYSA-N 1401 BRD-K97764662-001-20-7 PD-173074 0 94.27 Selleck S1264 PD173074 523.327 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1 DXCUKNQANPLTEJ-UHFFFAOYSA-N 1401 BRD-K97764662-001-17-3 PD-173074 0 75.66 Selleck S1264 PD173074 523.327 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1 DXCUKNQANPLTEJ-UHFFFAOYSA-N 1401 BRD-K97764662-001-23-9 PD-173074 0 94.1 Tocris 3044 PD 173074 523.327 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1 DXCUKNQANPLTEJ-UHFFFAOYSA-N 1401 BRD-K04426574-001-02-0 PD-173212 0 94.02 Tocris 3552 PD 173212 599.409 CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C GCDHMGROXQUFNR-HEVIKAOCSA-N 9916734 BRD-K04426574-001-03-9 PD-173212 0 92.16 Tocris 3552 PD 173212 599.409 CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C GCDHMGROXQUFNR-HEVIKAOCSA-N 9916734 BRD-K05104363-001-10-0 PD-184352 0 97.16 Selleck S1020 PD184352 (CI-1040) 477.976 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F GFMMXOIFOQCCGU-UHFFFAOYSA-N 6918454 BRD-K05104363-001-01-9 PD-184352 0 Axon PD-184352 477.976 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F "InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)" 6918454 BRD-K88677950-001-03-9 PD-198306 0 96.45 Tocris 2605 PD 198306 476.021 Cc1cc(I)ccc1Nc1c(F)c(F)c(F)cc1C(=O)NOCC1CC1 UHAXDAKQGVISBZ-UHFFFAOYSA-N 9956637 BRD-K88677950-001-04-9 PD-198306 0 96.4 Tocris 2605 PD 198306 476.021 Cc1cc(I)ccc1Nc1c(F)c(F)c(F)cc1C(=O)NOCC1CC1 UHAXDAKQGVISBZ-UHFFFAOYSA-N 9956637 BRD-A57798112-001-04-9 PD-318088 0 96.17 MedChemEx HY-12062 PD318088 559.906 "OC[C@@H](O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F |&1:2,r|" XXSSGBYXSKOLAM-MRVPVSSYSA-N 17753852 BRD-A57798112-001-03-7 PD-318088 0 95.69 Selleck S1568 PD318088 559.906 "OC[C@@H](O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F |&1:2,r|" XXSSGBYXSKOLAM-MRVPVSSYSA-N 17753852 BRD-K82823804-001-04-1 PD-407824 0 92.11 Tocris 2694 PD 407824 328.085 Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 IAUZTOZLTFSMIE-UHFFFAOYSA-N 4369491 BRD-K82823804-001-06-9 PD-407824 0 96.32 Tocris 2694 PD 407824 328.085 Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 IAUZTOZLTFSMIE-UHFFFAOYSA-N 4369491 BRD-K82823804-001-05-8 PD-407824 0 88.68 Tocris 2694 PD 407824 328.085 Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 IAUZTOZLTFSMIE-UHFFFAOYSA-N 4369491 BRD-K77951111-001-05-9 PD-81723 0 86.53 Tocris 1363 PD 81723 299.059 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C KKDKAWKYGCUOGR-UHFFFAOYSA-N 122028 BRD-K77951111-001-04-5 PD-81723 0 10.23 Tocris 1363 PD 81723 299.059 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C KKDKAWKYGCUOGR-UHFFFAOYSA-N 122028 BRD-K62810658-001-11-4 PD-98059 0 91.62 Selleck S1177 PD98059 267.09 COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 QFWCYNPOPKQOKV-UHFFFAOYSA-N 4713 BRD-K62810658-001-15-5 PD-98059 0 94.02 Tocris 1213 PD 98059 267.09 COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 QFWCYNPOPKQOKV-UHFFFAOYSA-N 4713 BRD-K62810658-001-12-2 PD-98059 0 93.83 Tocris 1213 PD 98059 267.09 COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 QFWCYNPOPKQOKV-UHFFFAOYSA-N 4713 BRD-K04032780-001-01-8 PD1-PDL-inhibitor-1 0 97.25 MedChemEx HY-19991 PD1-PDL1 inhibitor 1 475.236 COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O ZBOYJODMIAUJHH-SANMLTNESA-N 91663303 BRD-K00021095-001-01-9 PDD-00017273 0 98.22 MedChemEx HY-108360 PDD 00017273 514.146 Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1 IFWUBRBMMNTBRZ-UHFFFAOYSA-N 121398766 BRD-K38145871-001-01-8 PDE10-IN-1 0 96.99 MedChemEx HY-12813 PDE10-IN-1 369.17 Cc1c(nc2c3cccnc3ccn12)[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 ZLHNYULRKIEGAY-HZPDHXFCSA-N 72709059 BRD-K26358347-001-02-9 PDP-EA 0 92.74 Tocris 5210 PDP-EA 405.324 CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1 BIOVSNWTCKRADD-UHFFFAOYSA-N 69724031 BRD-K26358347-001-01-7 PDP-EA 0 96.07 Tocris 5210 PDP-EA 405.324 CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1 BIOVSNWTCKRADD-UHFFFAOYSA-N 69724031 BRD-A14577621-001-01-5 peficitinib 0 98.78 Selleck S7650 326.174 "NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 |&1:13,14,16,18,20,r|" DREIJXJRTLTGJC-ZKVNVPQCSA-N BRD-A59435073-001-01-5 BRD-K55034111-066-18-9 pefloxacin 0 94.16 MedChemEx HY-B0147A Pefloxacin (mesylate) 333.149 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 FHFYDNQZQSQIAI-UHFFFAOYSA-N 6919009 BRD-K55034111-066-17-1 pefloxacin 0 98.47 MicroSource 1505305 PEFLOXACINE MESYLATE 333.149 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 FHFYDNQZQSQIAI-UHFFFAOYSA-N 6919009 BRD-K55034111-066-16-3 pefloxacin 0 96.38 Selleck S1855 Pefloxacin Mesylate 333.149 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1 FHFYDNQZQSQIAI-UHFFFAOYSA-N 6919009 BRD-K96436774-001-01-8 pelanserin 0 91.31 Enamine Z379486794 364.19 O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(CC1)c1ccccc1 WPKPLSFHHBBLRY-UHFFFAOYSA-N 65435 BRD-K08799216-001-06-9 pelitinib 0 96.63 MedChemEx HY-32718 Pelitinib 467.152 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C WVUNYSQLFKLYNI-AATRIKPKSA-N 6445562 BRD-K08799216-001-05-3 pelitinib 0 92.07 Selleck S1392 Pelitinib (EKB-569) 467.152 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C WVUNYSQLFKLYNI-AATRIKPKSA-N 6445562 BRD-K00004687-001-01-9 pelrinone 0 95.85 AMS A002839437 "2-methyl-4-oxo-6-[(3-pyridinylmethyl)amino]-1,4-dihydro-5-pyrimidinecarbonitrile" 241.096 Cc1nc(=O)c(C#N)c(NCc2cccnc2)[nH]1 NZXHFDXOCVIYLO-UHFFFAOYSA-N 135413516 BRD-K00003251-001-01-9 pemafibrate 0 98.47 MedChemEx HY-17618 Pemafibrate 490.21 CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O ZHKNLJLMDFQVHJ-RUZDIDTESA-N 11526038 BRD-K32842773-434-01-8 pemetrexed 0 87.62 Key KS-1185 "disodium (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate heptahydrate" 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-K32842773-304-05-4 pemetrexed 0 66.7 MedChemEx HY-13781 Pemetrexed (disodium hemipenta hydrate) 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-M17920320-304-01-2 BRD-K32842773-380-01-3 pemetrexed 0 82.5 MedChemEx HY-13781 Pemetrexed (disodium hemipenta hydrate) (1:2:2.5) 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-M18147244-437-01-2 BRD-K32842773-304-03-9 pemetrexed 0 17.09 MicroSource 1502390 PEMETREXED 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-K32842773-304-04-7 pemetrexed 0 86.05 Selleck S1135 Pemetrexed 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-K32842773-304-06-2 pemetrexed 0 51.07 Selleck S1135 Pemetrexed 427.149 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 WBXPDJSOTKVWSJ-ZDUSSCGKSA-N 135410875 BRD-K55395145-304-01-5 BRD-K31731454-237-04-9 pemirolast 0 93.99 MedChemEx HY-B0538A Pemirolast (potassium) 228.076 Cc1cccn2c1ncc(-c1nn[nH]n1)c2=O HIANJWSAHKJQTH-UHFFFAOYSA-N 57697 BRD-K31731454-237-03-3 pemirolast 0 90.43 MedChemEx HY-B0538A Pemirolast (potassium) 228.076 Cc1cccn2c1ncc(-c1nn[nH]n1)c2=O HIANJWSAHKJQTH-UHFFFAOYSA-N 57697 BRD-K31731454-237-02-5 pemirolast 0 97.42 Selleck S4008 Pemirolast (BMY 26517) potassium 228.076 Cc1cccn2c1ncc(-c1nn[nH]n1)c2=O HIANJWSAHKJQTH-UHFFFAOYSA-N 57697 BRD-K71075093-045-14-7 pempidine 0 52.72 MicroSource 1503383 PEMPIDINE TARTRATE 155.167 CN1C(C)(C)CCCC1(C)C XULIXFLCVXWHRF-UHFFFAOYSA-N 6603 BRD-K55705469-065-01-0 penbutolol 0 90.41 MicroSource 1505567 PENBUTOLOL SULFATE 291.22 CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 KQXKVJAGOJTNJS-HNNXBMFYSA-N 37464 BRD-K55705469-065-02-9 penbutolol 0 92.64 Toronto P220505 (S)-penbutolol sulfate 291.22 CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 KQXKVJAGOJTNJS-HNNXBMFYSA-N 37464 BRD-K47780086-001-07-9 penciclovir 0 94.53 MicroSource 1502320 PENCICLOVIR 253.117 Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 JNTOCHDNEULJHD-UHFFFAOYSA-N 135398748 BRD-K47780086-001-06-1 penciclovir 0 87.21 Selleck S4184 Penciclovir 253.117 Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 JNTOCHDNEULJHD-UHFFFAOYSA-N 135398748 BRD-K47780086-001-10-9 penciclovir 0 100 MedChemEx HY-17424 Penciclovir 253.117 Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 JNTOCHDNEULJHD-UHFFFAOYSA-N 135398748 BRD-K47780086-001-08-7 penciclovir 0 0 Selleck S4184 Penciclovir 253.117 Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 JNTOCHDNEULJHD-UHFFFAOYSA-N 135398748 BRD-K15409150-001-07-4 penfluridol 0 96.94 MicroSource 1505691 PENFLURIDOL 523.17 OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F MDLAAYDRRZXJIF-UHFFFAOYSA-N 33630 BRD-K15409150-001-05-8 penfluridol 0 93.21 Selleck S4151 Penfluridol 523.17 OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F MDLAAYDRRZXJIF-UHFFFAOYSA-N 33630 BRD-K17518951-001-03-0 penicillamine-(D) 1 0 Selleck S1853 Penicillamine (Cuprimine) 149.051 CC(C)(S)[C@@H](N)C(O)=O VVNCNSJFMMFHPL-VKHMYHEASA-N 6926437 BRD-K17518951-001-14-9 penicillamine-(D) 1 100 MedChemEx HY-W017457 2-Amino-3-mercapto-3-methylbutanoic acid 149.051 CC(C)(S)[C@@H](N)C(O)=O VVNCNSJFMMFHPL-VKHMYHEASA-N 6926437 BRD-K17518951-001-04-8 penicillamine-(D) 1 0 Selleck S1853 Penicillamine (Cuprimine) 149.051 CC(C)(S)[C@@H](N)C(O)=O VVNCNSJFMMFHPL-VKHMYHEASA-N 6926437 BRD-K01825697-213-01-9 penicillamine-(racemic) 0 0 MicroSource 1500464 PENICILLAMINE 210.104 CC(C)(S)[C@@H](N)C(O)=O |&1:4| VVNCNSJFMMFHPL-VKHMYHEASA-N 6926437 BRD-K43966364-237-06-9 penicillin-v-potassium 0 76.25 MedChemEx HY-B0975 Penicillin V (Potassium) 350.094 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O BPLBGHOLXOTWMN-MBNYWOFBSA-N 6869 BRD-K43966364-237-04-8 penicillin-v-potassium 0 90.16 MicroSource 1500467 PENICILLIN V POTASSIUM 350.094 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O BPLBGHOLXOTWMN-MBNYWOFBSA-N 6869 BRD-K48996094-001-01-3 pentacosanoic-acid 0 100 Cayman 15197 382.381 CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O MWMPEAHGUXCSMY-UHFFFAOYSA-N 10468 BRD-K78789465-001-02-4 pentagastrin 0 84.48 MicroSource 1506100 PENTAGASTRIN 767.331 CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O NEYNJQRKHLUJRU-DZUOILHNSA-N 9853654 BRD-K92045627-001-01-0 BRD-K78789465-001-01-6 pentagastrin 0 84.88 Abblis AB2000162 Pentagastrin 767.331 CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O NEYNJQRKHLUJRU-DZUOILHNSA-N 9853654 BRD-K13183738-317-10-2 pentamidine 0 98.99 MicroSource 1500641 PENTAMIDINE ISETHIONATE 340.19 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 XDRYMKDFEDOLFX-UHFFFAOYSA-N 4735 BRD-K13183738-300-02-5 pentamidine 0 95.88 Selleck S4007 Pentamidine 340.19 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 XDRYMKDFEDOLFX-UHFFFAOYSA-N 4735 BRD-K40621224-001-07-9 pentetic-acid 0 100 MedChemEx HY-B1335 Pentetic acid 393.138 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O QPCDCPDFJACHGM-UHFFFAOYSA-N 3053 BRD-K40621224-001-06-7 pentetic-acid 0 99.18 MicroSource 1506082 PENTETIC ACID 393.138 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O QPCDCPDFJACHGM-UHFFFAOYSA-N 3053 BRD-K44942604-346-04-7 pentolinium 0 76.5 Prestwick Prestw-188 Pentolinium bitartrate 240.257 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 XSBSKEQEUFOSDD-UHFFFAOYSA-N 5850 BRD-K44942604-346-05-4 pentolinium 0 97.01 Acros 38802 240.257 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 XSBSKEQEUFOSDD-UHFFFAOYSA-N 5850 BRD-K91543828-001-02-0 pentostatin 0 86.61 MedChemEx HY-A0006 Pentostatin 268.117 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 |c:16| FPVKHBSQESCIEP-JQCXWYLXSA-N 439693 BRD-K91543828-001-04-9 pentostatin 0 100 Tocris 2033 Pentostatin 268.117 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 |c:16| FPVKHBSQESCIEP-JQCXWYLXSA-N 439693 BRD-K57569181-001-27-5 pentoxifylline 0 99.53 MicroSource 1503611 PENTOXIFYLLINE 278.138 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O BYPFEZZEUUWMEJ-UHFFFAOYSA-N 4740 BRD-K57569181-001-26-7 pentoxifylline 0 98.21 Selleck S4345 Pentoxifylline 278.138 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O BYPFEZZEUUWMEJ-UHFFFAOYSA-N 4740 BRD-K57718010-001-12-7 pentylenetetrazol 0 42.28 MedChemEx HY-B1242 Pentylenetetrazol 138.091 C1CCc2nnnn2CC1 CWRVKFFCRWGWCS-UHFFFAOYSA-N 5917 BRD-K57718010-001-11-9 pentylenetetrazol 0 76.62 MicroSource 2300347 PENTYLENETETRAZOL 138.091 C1CCc2nnnn2CC1 CWRVKFFCRWGWCS-UHFFFAOYSA-N 5917 BRD-K57718010-001-10-1 pentylenetetrazol 0 0 Tocris 2687 Pentylenetetrazole 138.091 C1CCc2nnnn2CC1 CWRVKFFCRWGWCS-UHFFFAOYSA-N 5917 BRD-K00003426-001-01-9 peposertib 0 96.7 MedChemEx HY-101570 Nedisertib 481.132 COc1ccc(nn1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 MOWXJLUYGFNTAL-DEOSSOPVSA-N 86292849 BRD-K13571841-201-16-9 pepstatin 0 84.45 MedChemEx HY-P0018B Pepstatin Ammonium 685.463 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O FAXGPCHRFPCXOO-LXTPJMTPSA-N 5478883 BRD-K13571841-001-14-4 pepstatin 0 94.54 Enzo PI120 Pepstatin A 685.463 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O FAXGPCHRFPCXOO-LXTPJMTPSA-N 5478883 BRD-K00519864-341-02-5 peramivir 0 6.63 Selleck S2716 Peramivir Trihydrate 328.211 CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O XRQDFNLINLXZLB-CKIKVBCHSA-N 154234 BRD-K00519864-341-03-3 peramivir 0 85.33 Selleck S2716 Peramivir Trihydrate 328.211 CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O XRQDFNLINLXZLB-CKIKVBCHSA-N 154234 BRD-K00519864-341-04-9 peramivir 0 100 MedChemEx HY-17015 Peramivir (trihydrate) 328.211 CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O XRQDFNLINLXZLB-CKIKVBCHSA-N 154234 BRD-K00004530-001-01-9 perchlozone 0 94.96 Labotest LT00508348 isonicotinaldehyde thiosemicarbazone 180.047 NC(=S)N\N=C\c1ccncc1 QTSJJDIDTYFLFC-BJMVGYQFSA-N 6433252 BRD-K99431849-001-01-7 peretinoin 0 81.22 MedChemEx HY-100008 Peretinoin 302.225 CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C(O)=O UUBHZHZSIKRVIV-KCXSXWJSSA-N 6437836 BRD-K99431849-001-02-5 peretinoin 0 85.75 MedChemEx HY-100008 Peretinoin 302.225 CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C(O)=O UUBHZHZSIKRVIV-KCXSXWJSSA-N 6437836 BRD-K16758059-001-01-8 perfluamine 1 0 Oakwood 46164 520.97 FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F JAJLKEVKNDUJBG-UHFFFAOYSA-N 67645 BRD-K92988025-001-02-7 perflubron 1 0 Sigma MFCD00042082 "1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane" 497.891 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br WTWWXOGTJWMJHI-UHFFFAOYSA-N 9873 BRD-K92988025-001-01-9 perflubron 1 0 Oakwood 2311 497.891 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br WTWWXOGTJWMJHI-UHFFFAOYSA-N 9873 BRD-K55401595-001-01-8 perfluorodecalin 0 0 Sigma MFCD00010626 "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydronaphthalene" 461.971 FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F UWEYRJFJVCLAGH-UHFFFAOYSA-N 9386 BRD-K00004546-001-01-9 perfluorohexyloctane 0 0 Sigma MFCD07784188 "1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane" 432.112 CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F WRYIIOKOQSICTB-UHFFFAOYSA-N 10477896 BRD-K60770992-066-27-9 pergolide 0 98.87 MedChemEx HY-13720A Pergolide (mesylate) 314.182 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 YEHCICAEULNIGD-MZMPZRCHSA-N 47811 BRD-K60770992-066-26-8 pergolide 0 74 Selleck S4000 Pergolide mesylate 314.182 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 YEHCICAEULNIGD-MZMPZRCHSA-N 47811 BRD-K38689957-066-01-5 BRD-K60770992-066-25-0 pergolide 0 93.97 Selleck S4000 Pergolide mesylate 314.182 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 YEHCICAEULNIGD-MZMPZRCHSA-N 47811 BRD-A19633847-050-32-1 perhexiline 0 97.96 MicroSource 1503227 PERHEXILINE MALEATE 277.277 C(C(C1CCCCC1)C1CCCCC1)[C@H]1CCCCN1 |&1:14| CYXKNKQEMFBLER-GOSISDBHSA-N 38988177 BRD-A19633847-050-20-6 perhexiline 0 MicroSource 1503227 PERHEXILINE MALEATE 277.277 C(C(C1CCCCC1)C1CCCCC1)[C@H]1CCCCN1 |&1:14| "InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/t18-/m1/s1" 38988177 BRD-A89082344-001-07-9 perifosine 0 0 MedChemEx HY-50909 "1,1-dimethylpiperidinium-4-yl octadecyl phosphate" 462.371 CCCCCCCCCCCCCCCCCCOP(O)(=O)OC1CC[N+](C)(C)CC1 |&1:19| SZFPYBIJACMNJV-UHFFFAOYSA-O 148178 BRD-A89082344-001-08-7 perifosine 0 100 MedChemEx HY-50909 Perifosine 462.371 CCCCCCCCCCCCCCCCCCOP(O)(=O)OC1CC[N+](C)(C)CC1 |&1:19| SZFPYBIJACMNJV-UHFFFAOYSA-O 148178 BRD-A89082344-001-06-1 perifosine 0 0 MedChemEx HY-50909 Perifosine 462.371 CCCCCCCCCCCCCCCCCCOP(O)(=O)OC1CC[N+](C)(C)CC1 |&1:19| SZFPYBIJACMNJV-UHFFFAOYSA-O 148178 BRD-A13323580-001-05-5 perillyl-alcohol 1 0 Enamine EN300-97783 (4-isopropenyl-1-cyclohexen-1-yl)methanol 152.12 "CC(=C)[C@H]1CCC(CO)=CC1 |&1:3,r,c:8|" NDTYTMIUWGWIMO-SNVBAGLBSA-N 369312 BRD-A13323580-001-04-8 perillyl-alcohol 1 0 Enamine EN300-97783 152.12 "CC(=C)[C@H]1CCC(CO)=CC1 |&1:3,r,c:8|" NDTYTMIUWGWIMO-SNVBAGLBSA-N 369312 BRD-K92731339-227-04-9 perindopril 0 95.89 MicroSource 1505212 PERINDOPRIL ERBUMINE 368.231 CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC IPVQLZZIHOAWMC-QXKUPLGCSA-N 40466996 BRD-K92731339-227-05-6 perindopril 0 91.91 Selleck S1506 Perindopril Erbumine (Aceon) 368.231 CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC IPVQLZZIHOAWMC-QXKUPLGCSA-N 40466996 BRD-A19924402-227-01-0|BRD-A47830685-227-02-1 BRD-K92731339-227-07-9 perindopril 0 89.92 MedChemEx HY-B0130A Perindopril (erbumine) 368.231 CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC IPVQLZZIHOAWMC-QXKUPLGCSA-N 40466996 BRD-K92731339-227-08-9 perindopril 0 92.07 Tocris 4302 Perindopril erbumine 368.231 CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC IPVQLZZIHOAWMC-QXKUPLGCSA-N 40466996 BRD-K00768353-001-01-8 perindoprilat 0 3.67 MicroSource 1504316 PERINDOPRILAT 340.2 CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O ODAIHABQVKJNIY-PEDHHIEDSA-N 72022 BRD-A25366096-001-09-9 permethrin 0 0 MedChemEx HY-B0887 Permethrin 390.079 "CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 |&1:3,&2:8,r|" RLLPVAHGXHCWKJ-PKOBYXMFSA-N 40159 BRD-A25366096-001-07-3 permethrin 0 0 MicroSource 1504932 PERMETHRIN 390.079 "CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 |&1:3,&2:8,r|" RLLPVAHGXHCWKJ-PKOBYXMFSA-N 40159 BRD-A25366096-001-08-1 permethrin 0 0 Sigma MFCD00041809 "3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" 390.079 "CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 |&1:3,&2:8,r|" RLLPVAHGXHCWKJ-PKOBYXMFSA-N 40159 BRD-K85503079-001-01-0 perospirone 0 98.49 Prestwick Prestw-1770 Perospirone 426.209 O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 FBVFZWUMDDXLLG-HDICACEKSA-N 115368 BRD-K85503079-001-02-8 perospirone 0 98.77 AKSci M813 426.209 O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 FBVFZWUMDDXLLG-HDICACEKSA-N 115368 BRD-K10995081-001-26-1 perphenazine 0 62.54 MicroSource 1503934 PERPHENAZINE 403.149 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 RGCVKNLCSQQDEP-UHFFFAOYSA-N 4748 BRD-K10995081-001-28-7 perphenazine 0 87.56 MedChemEx HY-A0077 Perphenazine 403.149 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 RGCVKNLCSQQDEP-UHFFFAOYSA-N 4748 BRD-K10995081-001-27-9 perphenazine 0 87.72 Sigma Y0001045 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl}ethanol 403.149 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 RGCVKNLCSQQDEP-UHFFFAOYSA-N 4748 BRD-A72716251-001-01-5 peruvoside 0 70.11 Enzo NP227 Peruvoside 548.299 "CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@@H]1O |a:2,3,8,10,13,16,19,20,23,25,28,&1:5,&2:37,t:33|" PMTSPAGBAFCORP-BZEWZVDJSA-N BRD-K04643877-001-03-2 perzinfotel 0 97 Sigma MFCD00912427 "2-[8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethylphosphonic acid" 260.056 OP(O)(=O)CCN1CCCNc2c1c(=O)c2=O BDABGOLMYNHHTR-UHFFFAOYSA-N 6918236 BRD-A93477898-001-04-2 PETCM 0 93.77 Tocris 1758 PETCM 238.967 "O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl |&1:1,r|" NGTDJJKTGRNNAU-ZETCQYMHSA-N 736879 BRD-K67844266-003-01-9 pevonedistat 0 94.15 MedChemEx HY-10484 MLN4924 (hydrochloride) 443.163 NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 MPUQHZXIXSTTDU-QXGSTGNESA-N 16720766 BRD-K67844266-001-02-1 pevonedistat 0 Active A-1139 MLN-4924 443.163 NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 "InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1" 16720766 BRD-K54519451-001-02-9 pexidartinib 0 94.9 MedChemEx HY-16749 Pexidartinib 417.097 FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 JGWRKYUXBBNENE-UHFFFAOYSA-N 25151352 BRD-K53405000-001-01-0 pexmetinib 0 98.39 Selleck S7799 Pexmetinib (ARRY-614) 556.26 Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)ccc1Oc1ccc2n(CCO)ncc2c1)C(C)(C)C LNMRSSIMGCDUTP-UHFFFAOYSA-N 24765037 BRD-K53405000-001-02-8 pexmetinib 0 99.4 Selleck S7799 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)benzyl)urea 556.26 Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)ccc1Oc1ccc2n(CCO)ncc2c1)C(C)(C)C LNMRSSIMGCDUTP-UHFFFAOYSA-N 24765037 BRD-K00004632-001-01-9 PF-02413873 0 96.06 Sigma PZ0367 "4-({3-cyclopropyl-5-methyl-1-[(methylsulfonyl)methyl]-1H-pyrazol-4-yl}oxy)-2,6-dimethylbenzonitrile" 359.13 Cc1c(Oc2cc(C)c(C#N)c(C)c2)c(nn1CS(C)(=O)=O)C1CC1 QSFGZNVRVZHUGV-UHFFFAOYSA-N 16662425 BRD-K31519811-001-02-2 PF-02545920 0 95.3 Selleck S2687 392.164 Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 AZEXWHKOMMASPA-UHFFFAOYSA-N 11581936 BRD-K07070922-001-01-4 PF-03049423 0 97.3 Key GE-0036 "3-[4-(2-hydroxyethyl)-1-piperazinyl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one" 468.249 CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1 MNLNAGRCHNMKKJ-UHFFFAOYSA-N 24963293 BRD-K61691541-303-02-9 PF-03084014 0 89.41 Tocris 5751 PF 3084014 hydrobromide 489.328 CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C VFCRKLWBYMDAED-REWPJTCUSA-N 46224413 BRD-K61691541-001-01-1 PF-03084014 0 91.79 MedChemEx HY-15185 PF-3084014 489.328 CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C VFCRKLWBYMDAED-REWPJTCUSA-N 46224413 BRD-K37764012-001-04-1 PF-03758309 0 95.43 MedChemEx HY-13007 PF-3758309 490.226 CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 AYCPARAPKDAOEN-LJQANCHMSA-N 25227462 BRD-K37764012-001-01-7 PF-03758309 0 Broad Institute PF-3758309 490.226 CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 "InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1" 25227462 BRD-K68747584-001-06-9 PF-03814735 0 96.21 Tocris 4821 PF 03814735 474.199 CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 RYYNGWLOYLRZLK-RBUKOAKNSA-N 51346455 BRD-K68747584-001-03-8 PF-03814735 0 98.35 Tocris 4821 PF 03814735 474.199 CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 RYYNGWLOYLRZLK-RBUKOAKNSA-N 51346455 BRD-K68747584-001-02-0 PF-03814735 0 99.4 MedChemEx HY-14574 PF-03814735 474.199 CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 RYYNGWLOYLRZLK-RBUKOAKNSA-N 51346455 BRD-K51041191-001-02-9 PF-03882845 0 84.61 Sigma PZ0031 "(S)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-2,3,4,5-tetrahydro-1H-benzo[g]indazole-7-carboxylic acid" 419.14 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)C3CCc2c1)c1ccc(C#N)c(Cl)c1 |t:7| XNULRSOGWPFPBL-AKRCKQFNSA-N 101541332 BRD-K51041191-001-01-4 PF-03882845 0 91.12 Sigma PZ0031 "(S)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-2,3,4,5-tetrahydro-1H-benzo[g]indazole-7-carboxylic acid" 419.14 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)C3CCc2c1)c1ccc(C#N)c(Cl)c1 |t:7| XNULRSOGWPFPBL-AKRCKQFNSA-N 101541332 BRD-K94420399-001-01-9 PF-04136309 0 97.35 MedChemEx HY-13245 PF-4136309 568.241 O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 ZNSVOHSYDRPBGI-LXWOLXCRSA-N BRD-K94420399-001-02-9 PF-04136309 0 95.56 MedChemEx HY-13245 PF-4136309 568.241 O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 ZNSVOHSYDRPBGI-LXWOLXCRSA-N BRD-K73319509-001-08-0 PF-04217903 0 97.26 Selleck S1094 PF-04217903 372.145 OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 PDMUGYOXRHVNMO-UHFFFAOYSA-N 17754438 BRD-K73319509-001-06-4 PF-04217903 0 91.87 Selleck S1094 PF-04217903 372.145 OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 "InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2" 17754438 BRD-K54871792-001-01-4 PF-04418948 0 97.38 Selleck S7211 PF-04418948 409.133 COc1ccc2cc(OCC3(CN(C3)C(=O)c3ccc(F)cc3)C(O)=O)ccc2c1 LWJGMYMNSNVCEM-UHFFFAOYSA-N 25114442 BRD-K54871792-001-02-2 PF-04418948 0 99.27 Tocris 4818 PF 04418948 409.133 COc1ccc2cc(OCC3(CN(C3)C(=O)c3ccc(F)cc3)C(O)=O)ccc2c1 LWJGMYMNSNVCEM-UHFFFAOYSA-N 25114442 BRD-K50031829-001-01-6 PF-04447943 0 97.37 MedChemEx HY-15441 PF-04447943 395.207 C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1 IWXUVYOOUMLUTQ-CZUORRHYSA-N 135564558 BRD-K50031829-001-02-9 PF-04447943 0 92.66 MedChemEx HY-15441 PF-04447943 395.207 C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1 IWXUVYOOUMLUTQ-CZUORRHYSA-N 135564558 BRD-K86816506-001-02-9 PF-04457845 0 95.61 Tocris 6374 PF 04457845 455.157 FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1 BATCTBJIJJEPHM-UHFFFAOYSA-N 24771824 BRD-K86816506-001-01-8 PF-04457845 0 99.1 MedChemEx HY-14376 PF-04457845 455.157 FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1 BATCTBJIJJEPHM-UHFFFAOYSA-N 24771824 BRD-K30550578-001-02-9 PF-04620110 0 94.07 Tocris 5863 PF 04620110 396.18 Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r| GEVVQZHMFVFGLN-HDJSIYSDSA-N BRD-K30550578-001-01-3 PF-04620110 0 99.59 MedChemEx HY-13009 PF-04620110 396.18 Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r| GEVVQZHMFVFGLN-HDJSIYSDSA-N BRD-K07310275-001-02-5 PF-04691502 0 96.68 Selleck S2743 PF-04691502 425.206 COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r| XDLYKKIQACFMJG-WKILWMFISA-N BRD-K92435527-001-03-9 PF-04885614 0 91.35 Tocris 4916 PF 04885614 285.109 CC(C)(N)c1nc(c[nH]1)-c1ccc(OC(F)(F)F)cc1 AGORGFNWYAUYSU-UHFFFAOYSA-N 65459349 BRD-K92435527-001-01-4 PF-04885614 0 84.39 Tocris 4916 PF 04885614 285.109 CC(C)(N)c1nc(c[nH]1)-c1ccc(OC(F)(F)F)cc1 AGORGFNWYAUYSU-UHFFFAOYSA-N 65459349 BRD-K27755542-001-01-6 PF-04937319 0 97.36 Sigma PZ0320 432.155 CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 MASKQITXHVYVFL-UHFFFAOYSA-N 46916694 BRD-K00004635-001-01-9 PF-04995274 0 95.7 Sigma PZ0310 (R)-4-((4-(((4-((tetrahydrofuran-3-yl)oxy)benzo[d]isoxazol-3-yl)oxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol 432.226 OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 WLLOFQROROXOMO-GOSISDBHSA-N 53354764 BRD-K00003145-001-01-9 PF-05089771 0 92.1 MedChemEx HY-12883 PF 05089771 498.974 Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 ZYSCOUXLBXGGIM-UHFFFAOYSA-N 46840946 BRD-K00002423-001-02-9 PF-05175157 0 97.16 MedChemEx HY-12942 PF-05175157 405.216 [H]n1c(C)nc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 BDXXSFOJPYSYOC-UHFFFAOYSA-N 52934180 BRD-K00003097-001-01-9 PF-05180999 0 97.87 MedChemEx HY-111371 PF-05180999 414.153 Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 CLGCHUKGBICQTE-UHFFFAOYSA-N 60143346 BRD-K02554563-001-01-6 PF-05190457 0 87.74 Sigma PZ0270 512.236 Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 ZIUDADZJCKGWKR-AREMUKBSSA-N 58438464 BRD-K07955840-001-04-9 PF-05212384 0 97.48 Key FE-0013 "N-(4-{[4-(dimethylamino)-1-piperidinyl]carbonyl}phenyl)-N'-{4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl}urea" 615.328 CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 DWZAEMINVBZMHQ-UHFFFAOYSA-N 44516953 BRD-K07955840-001-02-3 PF-05212384 0 78.45 Selleck S2628 PF-05212384 (PKI-587) 615.328 CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 DWZAEMINVBZMHQ-UHFFFAOYSA-N 44516953 BRD-K07955840-001-03-1 PF-05212384 0 82.26 Selleck S2628 PF-05212384 (PKI-587) 615.328 CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 DWZAEMINVBZMHQ-UHFFFAOYSA-N 44516953 BRD-K00004644-001-01-9 PF-06260414 0 17.39 Sigma PZ0343 "6-[(4R)-4-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl]isoquinoline-1-carbonitrile" 302.084 C[C@@H]1CNS(=O)(=O)N(C1)c1ccc2c(nccc2c1)C#N ZKAVFOXYJCREBQ-SNVBAGLBSA-N 76071881 BRD-K00004638-001-01-9 PF-06273340 0 96.55 Sigma PZ0254 "N-[5-[2-amino-7-(2-hydroxy-1,1-dimethyl-ethyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridyl]-2-(5-chloro-2-pyridyl)acetamide" 479.147 CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc12 BPIWZDNVMQQBQX-UHFFFAOYSA-N 66571548 BRD-K00003279-001-01-9 PF-06282999 0 97.4 MedChemEx HY-19321 PF-06282999 325.029 COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O ICYNYWFGIDGBRD-UHFFFAOYSA-N 71571306 BRD-K00004712-001-01-9 PF-06305591 0 94.3 Sigma PZ0297 "(2R,3S)-3-amino-3-(5-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-propanamide" 274.179 C[C@H]([C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C)C(N)=O APWZIFIAVVFPNT-PELKAZGASA-N 71666749 BRD-K00003731-001-01-9 PF-06409577 0 96.7 MedChemEx HY-103683 PF-06409577 341.082 OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 FHQXLWCFSUSXBF-UHFFFAOYSA-N 71748255 BRD-K00004652-001-01-9 PF-06412562 0 97.43 Sigma PZ0357 "4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methyl-phenoxy]-1H-pyrazolo[4,3-c]pyridine" 331.143 Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C IDIUJOHYYBNCPC-UHFFFAOYSA-N 74223726 BRD-K83114366-001-02-8 PF-06447475 0 99.15 Tocris 5716 PF 06447475 305.128 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 BHTWDJBVZQBRKP-UHFFFAOYSA-N 72706840 BRD-K83114366-001-01-0 PF-06447475 0 97.77 MedChemEx HY-12477 PF-06447475 305.128 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 BHTWDJBVZQBRKP-UHFFFAOYSA-N 72706840 BRD-K00003311-001-01-9 PF-06459988 0 96.87 MedChemEx HY-19985 PF-06459988 431.147 CO[C@H]1CN(C[C@@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C ODMXWZROLKITMS-RISCZKNCSA-N 71535003 BRD-A23124853-001-01-4 PF-06463922 0 98.98 Selleck S7536 PF-06463922 406.155 "C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |&1:1,r|" IIXWYSCJSQVBQM-UHFFFAOYSA-N 78162481 BRD-K00003296-001-01-9 PF-06650833 0 95.84 MedChemEx HY-19836 PF06650833 361.144 CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F JKDGKIBAOAFRPJ-ZBINZKHDSA-N 118414016 BRD-K47084954-001-02-9 PF-06651600 0 95.62 MedChemEx HY-100754 PF-06651600 285.159 C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 CBRJPFGIXUFMTM-WDEREUQCSA-N 118115473 BRD-K00004648-001-01-9 PF-06747775 0 96.39 Sigma PZ0302 "N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-9-methyl-purin-2-yl]pyrrolidin-3-yl]prop-2-enamide" 415.188 COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C JYIUNVOCEFIUIU-GHMZBOCLSA-N 91668194 BRD-K00004598-001-01-9 PF-06751979 0 95.8 MedChemEx HY-112157 PF-06751979 455.09 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |c:7| ZLZUHACSRMOLLV-RAALSFIWSA-N 118435360 BRD-K00003400-001-01-9 PF-06840003 0 96.34 MedChemEx HY-101111 PF-06840003 232.065 "Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |&1:8,r|" MXKLDYKORJEOPR-MRVPVSSYSA-N 118512017 BRD-K00004750-001-01-9 PF-06873600 0 94.5 MedChemEx HY-114177 PF-06873600 471.175 C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O QIEKHLDZKRQLLN-FOIQADDNSA-N 134247638 BRD-K00005326-001-01-9 PF-06928215 0 95.58 MedChemEx HY-114182 PF-06928215 380.148 OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 PHGTYMRDHDEHLI-HIFRSBDPSA-N BRD-K31417912-001-01-9 PF-3274167 0 96.73 MedChemEx HY-15023 PF-3274167 419.116 COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 HNIFCPBQMKPRCX-UHFFFAOYSA-N 11683187 BRD-K68997413-001-06-9 PF-3845 0 95.56 Tocris 4175 PF 3845 456.177 FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1 NBOJHRYUGLRASX-UHFFFAOYSA-N 25154867 BRD-K68997413-001-05-1 PF-3845 0 96.31 Selleck S2666 PF-3845 456.177 FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1 NBOJHRYUGLRASX-UHFFFAOYSA-N 25154867 BRD-K00004633-001-01-9 PF-4191834 0 97.27 Sigma PZ0360 4-(3-{[4-(1-methyl-1H-pyrazol-5-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide 393.151 Cn1nccc1-c1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1 DVNQWYLVSNPCJZ-UHFFFAOYSA-N 24986635 BRD-K11821338-300-01-8 PF-429242 0 91.17 Tocris 3354 PF 429242 409.273 CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@@H]1CCNC1 XKPJTOHUPQWSOJ-HSZRJFAPSA-N 23661637 BRD-K11821338-300-02-9 PF-429242 0 96.02 Tocris 3354 PF 429242 409.273 CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@@H]1CCNC1 XKPJTOHUPQWSOJ-HSZRJFAPSA-N 23661637 BRD-K93788137-001-04-1 PF-431396 0 97.24 Tocris 4278 PF 431396 506.135 CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O POJZIZBONPAWIV-UHFFFAOYSA-N 11598628 BRD-K93788137-001-05-9 PF-431396 0 93.64 Tocris 4278 PF 431396 506.135 CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O POJZIZBONPAWIV-UHFFFAOYSA-N 11598628 BRD-K14711741-001-02-1 PF-4708671 0 98.79 Selleck S2163 PF-4708671 390.178 CCc1cncnc1N1CCN(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)CC1 FBLPQCAQRNSVHB-UHFFFAOYSA-N 51371303 BRD-K14711741-001-05-4 PF-4708671 0 96.75 Tocris 4032 PF 4708671 390.178 CCc1cncnc1N1CCN(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)CC1 FBLPQCAQRNSVHB-UHFFFAOYSA-N 51371303 BRD-K03063480-001-06-6 PF-477736 0 87.14 Selleck S2904 PF 477736 419.207 Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O NDEXUOWTGYUVGA-LJQANCHMSA-N 135565545 BRD-K03063480-001-07-4 PF-477736 0 91.23 Tocris 4277 PF 477736 419.207 Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O NDEXUOWTGYUVGA-LJQANCHMSA-N 135565545 BRD-K03063480-001-08-9 PF-477736 0 95 Tocris 4277 PF 477736 419.207 Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O NDEXUOWTGYUVGA-LJQANCHMSA-N 135565545 BRD-K03063480-001-05-8 PF-477736 0 75.45 Selleck S2904 PF-477736 419.207 Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O NDEXUOWTGYUVGA-LJQANCHMSA-N 135565545 BRD-K43428468-003-04-0 PF-4800567 0 98.53 Tocris 4281 PF 4800567 hydrochloride 359.115 Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 AUMDBEHGJRZSOO-UHFFFAOYSA-N 53472153 BRD-K43428468-003-01-6 PF-4800567 0 99.49 Tocris 4281 ppn-ctd2-20-PF4800567 359.115 Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 AUMDBEHGJRZSOO-UHFFFAOYSA-N 53472153 BRD-K78318619-001-03-9 PF-4981517 0 95.79 Tocris 4252 PF 4981517 456.275 Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 WDWIMDKOXZZYHH-FQEVSTJZSA-N 71315139 BRD-K78318619-001-02-7 PF-4981517 0 96.16 Selleck S2921 PF-4981517 456.275 Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 WDWIMDKOXZZYHH-FQEVSTJZSA-N 71315139 BRD-K00004642-001-01-9 PF-514273 0 92.1 Sigma SML0389 "2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one" 451.067 CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O FJMQJSUOOGOWBD-UHFFFAOYSA-N 11316919 BRD-K40302533-003-03-9 PF-5274857 0 96.18 Tocris 5262 PF 5274857 hydrochloride 436.134 Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O BBVNTTZIOTWDSV-UHFFFAOYSA-N 56956240 BRD-K40302533-003-01-7 PF-5274857 0 92.45 Tocris 5262 PF 5274857 hydrochloride 436.134 Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O BBVNTTZIOTWDSV-UHFFFAOYSA-N 56956240 BRD-K40302533-001-02-9 PF-5274857 0 93.06 Selleck S2777 PF-5274857 436.134 Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O BBVNTTZIOTWDSV-UHFFFAOYSA-N 56956240 BRD-K99545815-001-07-9 PF-562271 0 94.15 MedChemEx HY-10459 PF-562271 507.13 CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O MZDKLVOWGIOKTN-UHFFFAOYSA-N 11713159 BRD-K99545815-074-02-9 PF-562271 0 93.37 Selleck S2672 PF-00562271 507.13 CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O MZDKLVOWGIOKTN-UHFFFAOYSA-N 11713159 BRD-K99545815-003-01-0 PF-562271 0 92.3 Selleck S7357 PF-562271 HCl 507.13 CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O MZDKLVOWGIOKTN-UHFFFAOYSA-N 11713159 BRD-K99545815-074-03-7 PF-562271 0 88.33 Selleck S2672 PF-00562271 507.13 CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O MZDKLVOWGIOKTN-UHFFFAOYSA-N 11713159 BRD-K99545815-001-06-3 PF-562271 0 94.41 Selleck S2890 PF-562271 507.13 CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O MZDKLVOWGIOKTN-UHFFFAOYSA-N 11713159 BRD-K79239947-001-06-8 PF-573228 0 96.83 Selleck S2013 PF-573228 491.124 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 HESLKTSGTIBHJU-UHFFFAOYSA-N 11612883 BRD-K79239947-001-08-9 PF-573228 0 96.78 Tocris 3239 PF 573228 491.124 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 HESLKTSGTIBHJU-UHFFFAOYSA-N 11612883 BRD-K79239947-001-07-6 PF-573228 0 97.54 Tocris 3239 PF 573228 491.124 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 HESLKTSGTIBHJU-UHFFFAOYSA-N 11612883 BRD-K96295391-300-01-7 PF-670462 0 97.92 MedChemEx HY-15490 PF-670462 337.17 Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1 WUDBUIUHVNECTM-UHFFFAOYSA-N 11681588 BRD-K96295391-300-02-5 PF-670462 0 86.76 Tocris 3316 PF 670462 337.17 Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1 WUDBUIUHVNECTM-UHFFFAOYSA-N 11681588 BRD-K83213911-001-07-7 PF-750 0 92.71 Tocris 3307 PF 750 345.184 O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 BIODYGOZWZNCAG-UHFFFAOYSA-N 25154868 BRD-K83213911-001-08-9 PF-750 0 96.11 Tocris 3307 PF 750 345.184 O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 BIODYGOZWZNCAG-UHFFFAOYSA-N 25154868 BRD-K50865540-001-02-3 PF-8380 0 87.86 MedChemEx HY-13344 PF-8380 477.086 Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 JMSUDQYHPSNBSN-UHFFFAOYSA-N 25265312 BRD-K50865540-001-01-5 PF-8380 0 65.51 MedChemEx HY-13344 PF-8380 477.086 Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 JMSUDQYHPSNBSN-UHFFFAOYSA-N 25265312 BRD-K18289362-001-02-2 PF-915275 0 98.29 Tocris 3291 PF 915275 350.084 Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 ZESFDAKNYJQYKO-UHFFFAOYSA-N 23725123 BRD-K18289362-001-01-4 PF-915275 0 89.67 MedChemEx HY-18056 PF-915275 350.084 Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 ZESFDAKNYJQYKO-UHFFFAOYSA-N 23725123 BRD-K18289362-001-03-9 PF-915275 0 96.08 Tocris 3291 PF 915275 350.084 Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 ZESFDAKNYJQYKO-UHFFFAOYSA-N 23725123 BRD-K13094524-001-04-2 PFI-1 0 57.34 Selleck S1216 PFI-1 (PF-6405761) 347.094 COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 TXZPMHLMPKIUGK-UHFFFAOYSA-N 71271629 BRD-K13094524-001-09-1 PFI-1 0 83.35 Tocris 4445 PFI 1 347.094 COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 TXZPMHLMPKIUGK-UHFFFAOYSA-N 71271629 BRD-K13094524-001-07-5 PFI-1 0 91.99 Selleck S1216 PFI-1(PF-6405761) 347.094 COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 TXZPMHLMPKIUGK-UHFFFAOYSA-N 71271629 BRD-K61524559-001-01-3 PFI-3 0 94.54 Tocris 5072 PFI 3 321.148 Oc1ccccc1C(=O)\C=C\N1C[C@H]2C[C@@H]1CN2c1ccccn1 INAICWLVUAKEPB-QSTFCLMHSA-N 78243717 BRD-K61524559-001-03-9 PFI-3 0 0 MedChemEx HY-B0117B Tigecycline 321.148 Oc1ccccc1C(=O)\C=C\N1C[C@H]2C[C@@H]1CN2c1ccccn1 INAICWLVUAKEPB-QSTFCLMHSA-N 78243717 BRD-K13106865-001-01-7 PFI-4 0 98.24 Tocris 5576 PFI 4 380.185 COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 QCIJLRJBZDBVDB-UHFFFAOYSA-N 40642506 BRD-K13106865-001-02-9 PFI-4 0 95.05 Tocris 5576 PFI 4 380.185 COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 QCIJLRJBZDBVDB-UHFFFAOYSA-N 40642506 BRD-K95573441-001-02-0 PFK-015 0 94.52 MedChemEx HY-12204 PFK-015 260.095 O=C(\C=C\c1ccc2ccccc2n1)c1ccncc1 UJJUKZPBUMCSJZ-BQYQJAHWSA-N 25142799 BRD-K95573441-001-01-2 PFK-015 0 89.21 MedChemEx HY-12204 PFK-015 260.095 O=C(\C=C\c1ccc2ccccc2n1)c1ccncc1 UJJUKZPBUMCSJZ-BQYQJAHWSA-N 25142799 BRD-K28010364-001-01-0 PFK-158 0 90.57 MedChemEx HY-12203 PFK-158 328.082 FC(F)(F)c1ccc2ccc(\C=C\C(=O)c3ccncc3)nc2c1 IAJOMYABKVAZCN-AATRIKPKSA-N 71730058 BRD-K28010364-001-02-9 PFK-158 0 82.39 MedChemEx HY-12203 PFK-158 328.082 FC(F)(F)c1ccc2ccc(\C=C\C(=O)c3ccncc3)nc2c1 IAJOMYABKVAZCN-AATRIKPKSA-N 71730058 BRD-K00004212-001-01-9 PG-9 0 87.9 Tocris 750 PG-9 maleate 351.083 "C[C@@H](C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 |&1:5,7,10,&2:1,r,TLB:13:12:8.9:5.6.11|" GHDWIFTUSXQYGK-FWYOQMDTSA-N BRD-A53813595-001-03-4 PGL5001 0 90.93 MedChemEx HY-14761 AS 602801 457.157 "N#C[C@@H](c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 |&1:2,r|" XCPPIJCBCWUBNT-HXUWFJFHSA-N 76969933 BRD-A53813595-001-01-8 PGL5001 0 80.63 MedChemEx HY-14761 AS 602801 457.157 "N#C[C@@H](c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 |&1:2,r|" XCPPIJCBCWUBNT-HXUWFJFHSA-N 76969933 BRD-A53813595-001-02-6 PGL5001 0 89.24 MedChemEx HY-14761 AS 602801 457.157 "N#C[C@@H](c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 |&1:2,r|" XCPPIJCBCWUBNT-HXUWFJFHSA-N 76969933 BRD-K95880107-001-03-9 PH-797804 0 97.66 Tocris 5866 PH 797804 476.055 CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O KCAJXIDMCNPGHZ-UHFFFAOYSA-N 22049997 BRD-K95880107-001-02-4 PH-797804 0 97.63 Selleck S2726 PH-797804 476.055 CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O KCAJXIDMCNPGHZ-UHFFFAOYSA-N 22049997 BRD-K00004641-001-01-9 PHA-543613 0 98.87 Sigma PZ0135 "N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide" 271.132 O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 IPKZCLGGYKRDES-ZDUSSCGKSA-N 9930121 BRD-K48053228-051-01-7 PHA-568487 0 79.3 Tocris 3134 PHA 568487 288.147 O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1 LUVXHMJTVXZFPD-ZDUSSCGKSA-N 9932000 BRD-K48053228-051-02-9 PHA-568487 0 98.49 Tocris 3134 PHA 568487 288.147 O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1 LUVXHMJTVXZFPD-ZDUSSCGKSA-N 9932000 BRD-K95435023-001-07-7 PHA-665752 0 88.99 Tocris 2693 PHA 665752 640.168 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 OYONTEXKYJZFHA-SSHUPFPWSA-N 10461815 BRD-K95435023-001-08-5 PHA-665752 0 97.63 Selleck S1070 PHA-665752 640.168 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 OYONTEXKYJZFHA-SSHUPFPWSA-N 10461815 BRD-K95435023-001-10-1 PHA-665752 0 89.31 Selleck S1070 PHA-665752 640.168 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 OYONTEXKYJZFHA-SSHUPFPWSA-N 10461815 BRD-K55218890-001-01-8 BRD-K95435023-001-11-9 PHA-665752 0 95.73 Tocris 2693 PHA 665752 640.168 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 OYONTEXKYJZFHA-SSHUPFPWSA-N 10461815 BRD-K95435023-001-09-3 PHA-665752 0 95.32 Tocris 2693 PHA 665752 640.168 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 OYONTEXKYJZFHA-SSHUPFPWSA-N 10461815 BRD-K09443272-001-04-9 PHA-680632 0 93.89 MedChemEx HY-10178 PHA-680632 501.285 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1 OBWNXGOQPLDDPS-UHFFFAOYSA-N 11249084 BRD-K09443272-001-03-3 PHA-680632 0 92.06 Selleck S1454 PHA-680632 501.285 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1 OBWNXGOQPLDDPS-UHFFFAOYSA-N 11249084 BRD-K50000283-001-04-4 PHA-767491 0 96.2 Selleck S2742 PHA-767491 213.09 O=C1NCCc2[nH]c(cc12)-c1ccncc1 DKXHSOUZPMHNIZ-UHFFFAOYSA-N 11715767 BRD-K50000283-003-02-4 PHA-767491 0 98.06 Tocris 3140 PHA 767491 hydrochloride 213.09 O=C1NCCc2[nH]c(cc12)-c1ccncc1 DKXHSOUZPMHNIZ-UHFFFAOYSA-N 11715767 BRD-K64800655-001-11-9 PHA-793887 0 81.79 MedChemEx HY-11001 PHA-793887 361.248 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C HUXYBQXJVXOMKX-UHFFFAOYSA-N 46191454 BRD-K64800655-001-09-0 PHA-793887 0 91.57 Selleck S1487 PHA-793887 361.248 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C HUXYBQXJVXOMKX-UHFFFAOYSA-N 46191454 BRD-K64800655-001-07-4 PHA-793887 0 87.02 Selleck S1487 PHA-793887 361.248 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C HUXYBQXJVXOMKX-UHFFFAOYSA-N 46191454 BRD-K60997853-001-03-9 PHA-848125 0 98.48 MedChemEx HY-10424 Milciclib 460.27 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 RXZMYLDMFYNEIM-UHFFFAOYSA-N 16718576 BRD-K60997853-001-02-3 PHA-848125 0 97.05 Selleck S2751 Milciclib (PHA-848125) 460.27 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 RXZMYLDMFYNEIM-UHFFFAOYSA-N 16718576 BRD-K00004222-001-01-9 PHCCC 0 91.91 Tocris 1027 PHCCC 294.1 "O\N=C1/[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |&1:3,5|" FPXPIEZPAXSELW-RGNAGUPPSA-N 44572113 BRD-K81092066-311-01-6 phenacaine 0 99.16 MPBio 5201349 PHENACAINE HCl MONOHYDRATE 298.168 CCOc1ccc(NC(C)=Nc2ccc(OCC)cc2)cc1 QXDAEKSDNVPFJG-UHFFFAOYSA-N 7588 BRD-K40905133-001-05-9 phenacemide 0 89.55 Sigma MFCD00007948 N-(PHENYLACETYL)UREA 178.074 NC(=O)NC(=O)Cc1ccccc1 XPFRXWCVYUEORT-UHFFFAOYSA-N 4753 BRD-K40905133-001-04-9 phenacemide 0 99.38 MicroSource 1500472 PHENACEMIDE 178.074 NC(=O)NC(=O)Cc1ccccc1 XPFRXWCVYUEORT-UHFFFAOYSA-N 4753 BRD-K38323065-001-22-9 phenacetin 0 91.12 MedChemEx HY-B0476 Phenacetin 179.095 CCOc1ccc(NC(C)=O)cc1 CPJSUEIXXCENMM-UHFFFAOYSA-N 4754 BRD-K38323065-001-19-9 phenacetin 0 99.33 MicroSource 1500642 PHENACETIN 179.095 CCOc1ccc(NC(C)=O)cc1 CPJSUEIXXCENMM-UHFFFAOYSA-N 4754 BRD-K38323065-001-18-1 phenacetin 0 92.01 Selleck S2577 Phenacetin 179.095 CCOc1ccc(NC(C)=O)cc1 CPJSUEIXXCENMM-UHFFFAOYSA-N 4754 BRD-K46937689-001-16-9 phenazone 0 97.12 MedChemEx HY-B0171 Antipyrine 188.095 Cc1cc(=O)n(-c2ccccc2)n1C VEQOALNAAJBPNY-UHFFFAOYSA-N 2206 BRD-K46937689-001-15-0 phenazone 0 99.14 MicroSource 1500128 ANTIPYRINE 188.095 Cc1cc(=O)n(-c2ccccc2)n1C VEQOALNAAJBPNY-UHFFFAOYSA-N 2206 BRD-K46937689-001-14-3 phenazone 0 96.59 Selleck S3173 Antipyrine 188.095 Cc1cc(=O)n(-c2ccccc2)n1C VEQOALNAAJBPNY-UHFFFAOYSA-N 2206 BRD-K76304753-003-22-9 phenazopyridine 0 95.52 MedChemEx HY-B0985 Phenazopyridine (hydrochloride) 213.101 Nc1ccc(\N=N\c2ccccc2)c(N)n1 QPFYXYFORQJZEC-FOCLMDBBSA-N BRD-K76304753-003-19-5 phenazopyridine 0 87.46 Selleck S4235 Phenazopyridine HCl 213.101 Nc1ccc(\N=N\c2ccccc2)c(N)n1 QPFYXYFORQJZEC-FOCLMDBBSA-N BRD-K76304753-003-20-3 phenazopyridine 0 96.12 MicroSource 1500473 PHENAZOPYRIDINE HYDROCHLORIDE 213.101 Nc1ccc(\N=N\c2ccccc2)c(N)n1 QPFYXYFORQJZEC-FOCLMDBBSA-N BRD-K76304753-003-21-1 phenazopyridine 0 93.75 Selleck S4235 Phenazopyridine HCl 213.101 Nc1ccc(\N=N\c2ccccc2)c(N)n1 QPFYXYFORQJZEC-FOCLMDBBSA-N BRD-K87024524-001-04-0 phenelzine 0 0 Sigma MFCD00047825 1-(2-phenylethyl)hydrazine 136.1 NNCCc1ccccc1 RMUCZJUITONUFY-UHFFFAOYSA-N 3675 BRD-K87024524-065-17-7 phenelzine 0 80.24 MicroSource 1500476 PHENELZINE SULFATE 136.1 NNCCc1ccccc1 RMUCZJUITONUFY-UHFFFAOYSA-N 3675 BRD-K87024524-065-18-5 phenelzine 0 77.3 Sigma MFCD00050687 sulfuric acid compound with 1-(2-phenylethyl)hydrazine (1:1) 136.1 NNCCc1ccccc1 RMUCZJUITONUFY-UHFFFAOYSA-N 3675 BRD-A66025870-237-06-9 phenethicillin 0 55.17 Prestwick Prestw-723 Phenethicillin potassium salt 364.109 "C[C@@H](Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |a:12,13,18,&1:1|" NONJJLVGHLVQQM-ADGXKJENSA-N 8604 BRD-K56700933-001-03-9 phenethyl-isothiocyanate 0 0 Sigma 68488 (2-isothiocyanatoethyl)benzene 163.046 S=C=NCCc1ccccc1 IZJDOKYDEWTZSO-UHFFFAOYSA-N 16741 BRD-K11399644-003-10-5 phenformin 0 97.03 MicroSource 1505983 PHENFORMIN HYDROCHLORIDE 205.133 NC(N)=NC(=N)NCCc1ccccc1 ICFJFFQQTFMIBG-UHFFFAOYSA-N 8249 BRD-K11399644-003-11-3 phenformin 0 97.99 MicroSource 1501059 PHENFORMIN HYDROCHLORIDE 205.133 NC(N)=NC(=N)NCCc1ccccc1 ICFJFFQQTFMIBG-UHFFFAOYSA-N 8249 BRD-K11399644-003-19-9 phenformin 0 90.7 MedChemEx HY-16397A Phenformin (hydrochloride) 205.133 NC(N)=NC(=N)NCCc1ccccc1 ICFJFFQQTFMIBG-UHFFFAOYSA-N 8249 BRD-K11399644-003-09-7 phenformin 0 93.67 Selleck S2542 Phenformin HCl 205.133 NC(N)=NC(=N)NCCc1ccccc1 ICFJFFQQTFMIBG-UHFFFAOYSA-N 8249 BRD-A33178345-001-01-4 phenindamine 0 47.35 AMS A001025678 "2-methyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine" 261.152 "CN1CCC2=C(C1)[C@@H](c1ccccc21)c1ccccc1 |&1:7,r,c:4|" ISFHAYSTHMVOJR-LJQANCHMSA-N 57086802 BRD-A33178345-001-02-2 phenindamine 0 41.4 AMS A001025678 "2-methyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine" 261.152 "CN1CCC2=C(C1)[C@@H](c1ccccc21)c1ccccc1 |&1:7,r,c:4|" ISFHAYSTHMVOJR-LJQANCHMSA-N 57086802 BRD-K70592963-001-33-2 phenindione 0 95.63 MedChemEx HY-B0325 Phenindione 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-K70592963-001-31-6 phenindione 0 87.93 Sigma 1522006 3-hydroxy-2-phenyl-1H-inden-1-one 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-K70592963-001-29-0 phenindione 0 80.26 Selleck S1921 Phenindione (Rectadione) 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-K70592963-001-27-4 phenindione 0 16.12 Selleck S1921 Phenindione 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-K70592963-001-32-4 phenindione 0 61.78 MedChemEx HY-B0325 Phenindione 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-K70592963-001-28-2 phenindione 0 0 MicroSource 1500477 PHENINDIONE 222.068 O=C1C(C(=O)c2ccccc12)c1ccccc1 NFBAXHOPROOJAW-UHFFFAOYSA-N 4760 BRD-A23072235-050-17-7 pheniramine 0 96.6 Selleck S4045 Pheniramine Maleate 240.163 CN(C)CC[C@@H](c1ccccc1)c1ccccn1 |&1:5| IJHNSHDBIRRJRN-HNNXBMFYSA-N 667440 BRD-A23072235-050-18-5 pheniramine 0 98.32 MicroSource 1500478 PHENIRAMINE MALEATE 240.163 CN(C)CC[C@@H](c1ccccc1)c1ccccn1 |&1:5| IJHNSHDBIRRJRN-HNNXBMFYSA-N 667440 BRD-A23072235-050-19-9 pheniramine 0 92.63 MedChemEx HY-B0971 Pheniramine (Maleate) 240.163 CN(C)CC[C@@H](c1ccccc1)c1ccccn1 |&1:5| IJHNSHDBIRRJRN-HNNXBMFYSA-N 667440 BRD-K76549667-001-04-6 phenol 0 0 Sigma V800301 phenol 94.042 Oc1ccccc1 ISWSIDIOOBJBQZ-UHFFFAOYSA-N 996 BRD-K19227686-001-19-9 phenolphthalein 0 97.58 MedChemEx HY-D0211 Phenolphthalein 318.089 Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 KJFMBFZCATUALV-UHFFFAOYSA-N 4764 BRD-K19227686-001-18-6 phenolphthalein 0 98.24 MicroSource 1500480 PHENOLPHTHALEIN 318.089 Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 KJFMBFZCATUALV-UHFFFAOYSA-N 4764 BRD-K79892937-236-04-9 phenolsulfonphthalein 0 94.8 MedChemEx HY-D0169A Phenol Red (sodium salt) 354.056 Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1 BELBBZDIHDAJOR-UHFFFAOYSA-N 4766 BRD-K79892937-001-02-5 phenolsulfonphthalein 0 91.1 MicroSource 1500769 PHENOLSULFONPHTHALEIN 354.056 Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1 BELBBZDIHDAJOR-UHFFFAOYSA-N 4766 BRD-K59597909-001-19-2 phenothiazine 0 83.99 MicroSource 1506171 PHENOTHIAZINE 199.046 N1c2ccccc2Sc2ccccc12 WJFKNYWRSNBZNX-UHFFFAOYSA-N 7108 BRD-K59597909-001-17-6 phenothiazine 0 86.77 Selleck S4251 Phenothiazine 199.046 N1c2ccccc2Sc2ccccc12 WJFKNYWRSNBZNX-UHFFFAOYSA-N 7108 BRD-K59597909-001-20-0 phenothiazine 0 96.7 Selleck S4251 Phenothiazine 199.046 N1c2ccccc2Sc2ccccc12 WJFKNYWRSNBZNX-UHFFFAOYSA-N 7108 BRD-A22106989-001-06-8 phenothrin 0 74.08 MicroSource 1504098 PHENOTHRIN 350.188 "CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C |&1:4,&2:5,r|" SBNFWQZLDJGRLK-SFTDATJTSA-N 187827 BRD-A22106989-001-05-0 phenothrin 0 76.28 Selleck S4364 Phenothrin 350.188 "CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C |&1:4,&2:5,r|" SBNFWQZLDJGRLK-SFTDATJTSA-N 187827 BRD-A22106989-001-08-9 phenothrin 0 72.1 Sigma 36193 Phenothrin 350.188 "CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C |&1:4,&2:5,r|" SBNFWQZLDJGRLK-SFTDATJTSA-N 187827 BRD-A67799922-003-28-6 phenoxybenzamine 0 0 MedChemEx HY-B0431A Phenoxybenzamine (hydrochloride) 303.139 CC(COc1ccccc1)N(CCCl)Cc1ccccc1 QZVCTJOXCFMACW-UHFFFAOYSA-N 657233 BRD-A67799922-003-26-0 phenoxybenzamine 0 0 Selleck S2499 Phenoxybenzamine HCl 303.139 CC(COc1ccccc1)N(CCCl)Cc1ccccc1 QZVCTJOXCFMACW-UHFFFAOYSA-N 657233 BRD-A67799922-003-29-4 phenoxybenzamine 0 0 MedChemEx HY-B0431A Phenoxybenzamine (hydrochloride) 303.139 CC(COc1ccccc1)N(CCCl)Cc1ccccc1 QZVCTJOXCFMACW-UHFFFAOYSA-N 657233 BRD-A67799922-003-27-8 phenoxybenzamine 0 0 Selleck S2499 Phenoxybenzamine HCl 303.139 CC(COc1ccccc1)N(CCCl)Cc1ccccc1 QZVCTJOXCFMACW-UHFFFAOYSA-N 657233 BRD-K22009844-001-12-5 phenprobamate 0 98.85 Prestwick Prestw-1776 Phenprobamate 179.095 NC(=O)OCCCc1ccccc1 CAMYKONBWHRPDD-UHFFFAOYSA-N 4770 BRD-A49838158-001-01-1 phenprocoumon 0 97.47 Abblis AB2000540 280.11 "CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |&1:2,r|" DQDAYGNAKTZFIW-ZDUSSCGKSA-N 54681533 BRD-K46580984-001-03-6 phenserine 0 83.49 Sigma MFCD00672748 "(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl phenylcarbamate" 337.179 CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 PBHFNBQPZCRWQP-QUCCMNQESA-N 192706 BRD-K46580984-001-02-8 phenserine 0 63.7 Enzo AC909 (-)-N-Phenylcarbamoyleseroline 337.179 CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 PBHFNBQPZCRWQP-QUCCMNQESA-N 192706 BRD-A18043272-001-09-9 phensuximide 0 98.87 MicroSource 1505458 PHENSUCCIMIDE 189.079 "CN1C(=O)C[C@@H](C1=O)c1ccccc1 |&1:5,r|" WLWFNJKHKGIJNW-SECBINFHSA-N 6604215 BRD-A18043272-001-10-7 phensuximide 0 95.53 USP 1528002 Phensuximide 189.079 "CN1C(=O)C[C@@H](C1=O)c1ccccc1 |&1:5,r|" WLWFNJKHKGIJNW-SECBINFHSA-N 6604215 BRD-K90333595-066-24-9 phentolamine 0 98.72 MedChemEx HY-B0362A Phentolamine (mesylate) 281.153 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| MRBDMNSDAVCSSF-UHFFFAOYSA-N 5775 BRD-K90333595-003-22-2 phentolamine 0 99.38 Enzo AC121 Phentolamine 281.153 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| MRBDMNSDAVCSSF-UHFFFAOYSA-N 5775 BRD-K90333595-066-17-9 phentolamine 0 92.66 Selleck S2038 Phentolamine Mesylate 281.153 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| MRBDMNSDAVCSSF-UHFFFAOYSA-N 5775 BRD-K90333595-003-21-4 phentolamine 0 90.53 MicroSource 1500691 PHENTOLAMINE HYDROCHLORIDE 281.153 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| MRBDMNSDAVCSSF-UHFFFAOYSA-N 5775 BRD-K90333595-066-16-1 phentolamine 0 80.47 Selleck S2038 Phentolamine Mesylate 281.153 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| MRBDMNSDAVCSSF-UHFFFAOYSA-N 5775 BRD-K73157543-001-04-1 phenyl-aminosalicylate 0 99.55 MicroSource 305025 PHENYL AMINOSALICYLATE 229.074 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 DNVVZWSVACQWJE-UHFFFAOYSA-N 8609 BRD-K73157543-001-05-9 phenyl-aminosalicylate 0 96 FrontierSci 500014575 Phenyl 4-Aminosalicylate 229.074 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 DNVVZWSVACQWJE-UHFFFAOYSA-N 8609 BRD-K44091963-001-04-9 phenyl-salicylate 0 88.66 MedChemEx HY-B1731 Phenyl Salicylate 214.063 Oc1ccccc1C(=O)Oc1ccccc1 ZQBAKBUEJOMQEX-UHFFFAOYSA-N 8361 BRD-K44091963-001-01-5 phenyl-salicylate 0 0 Enamine Z57206005 214.063 Oc1ccccc1C(=O)Oc1ccccc1 ZQBAKBUEJOMQEX-UHFFFAOYSA-N 8361 BRD-K70592483-001-01-0 phenylacetylglutamine 0 89.95 Cayman 16724 264.111 NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(O)=O JFLIEFSWGNOPJJ-JTQLQIEISA-N 92258 BRD-K02729857-001-01-9 phenylbenzimidazole-sulfonic-acid 0 92.52 Vitas-M STK034479 274.041 OS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1 UVCJGUGAGLDPAA-UHFFFAOYSA-N 33919 BRD-K10843433-001-26-9 phenylbutazone 0 95.68 MedChemEx HY-B0230 Phenylbutazone 308.152 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 VYMDGNCVAMGZFE-UHFFFAOYSA-N 4781 BRD-K10843433-001-23-5 phenylbutazone 0 94.51 Selleck S1654 "Phenylbutazone (Butazolidin, Butatron)" 308.152 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 VYMDGNCVAMGZFE-UHFFFAOYSA-N 4781 BRD-K10843433-001-21-9 phenylbutazone 0 69.27 Selleck S1654 Phenylbutazone 308.152 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 VYMDGNCVAMGZFE-UHFFFAOYSA-N 4781 BRD-K10843433-001-22-7 phenylbutazone 0 98.14 MicroSource 1500482 PHENYLBUTAZONE 308.152 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 VYMDGNCVAMGZFE-UHFFFAOYSA-N 4781 BRD-K67102207-236-08-5 phenylbutyrate 0 96.7 MicroSource 1300040 SODIUM PHENYLBUTYRATE 164.084 OC(=O)CCCc1ccccc1 OBKXEAXTFZPCHS-UHFFFAOYSA-N 4775 BRD-K67102207-236-10-1 phenylbutyrate 0 70.78 Tocris 2682 Sodium 4-Phenylbutyrate 164.084 OC(=O)CCCc1ccccc1 OBKXEAXTFZPCHS-UHFFFAOYSA-N 4775 BRD-K67102207-236-07-7 phenylbutyrate 0 97.03 Tocris 2682 Sodium 4-Phenylbutyrate 164.084 OC(=O)CCCc1ccccc1 OBKXEAXTFZPCHS-UHFFFAOYSA-N 4775 BRD-K67102207-236-06-9 phenylbutyrate 0 93.24 Selleck S4125 Sodium Phenylbutyrate 164.084 OC(=O)CCCc1ccccc1 OBKXEAXTFZPCHS-UHFFFAOYSA-N 4775 BRD-K73381542-003-22-6 phenylephrine 0 85.84 Selleck S2569 Phenylephrine HCl 167.095 CNC[C@H](O)c1cccc(O)c1 SONNWYBIRXJNDC-VIFPVBQESA-N 6041 BRD-K73381542-003-24-2 phenylephrine 0 93.38 Selleck S2569 Phenylephrine hydrochloride 167.095 CNC[C@H](O)c1cccc(O)c1 SONNWYBIRXJNDC-VIFPVBQESA-N 6041 BRD-K73381542-003-23-4 phenylephrine 0 93.12 MicroSource 1500483 PHENYLEPHRINE HYDROCHLORIDE 167.095 CNC[C@H](O)c1cccc(O)c1 SONNWYBIRXJNDC-VIFPVBQESA-N 6041 BRD-K42371134-001-06-6 phenylethyl-alcohol 0 0 MicroSource 1505398 PHENYLETHYL ALCOHOL 122.073 OCCc1ccccc1 WRMNZCZEMHIOCP-UHFFFAOYSA-N 6054 BRD-K42371134-001-09-9 phenylethyl-alcohol 0 0 MedChemEx HY-B1290 2-Phenylethanol 122.073 OCCc1ccccc1 WRMNZCZEMHIOCP-UHFFFAOYSA-N 6054 BRD-K74193284-001-05-9 phenylmercuric-acetate 1 0 MedChemEx HY-B1310 Phenylmercuric acetate 338.023 CC(=O)O[Hg]c1ccccc1 XEBWQGVWTUSTLN-UHFFFAOYSA-M 9905811 BRD-K74193284-001-04-8 phenylmercuric-acetate 1 0 MicroSource 1500644 PHENYLMERCURIC ACETATE 338.023 CC(=O)O[Hg]c1ccccc1 XEBWQGVWTUSTLN-UHFFFAOYSA-M 9905811 BRD-K33422401-001-06-4 phenylmethylsulfonyl-fluoride 1 0 Selleck S3025 PMSF (Phenylmethylsulfonyl Fluoride) 174.015 FS(=O)(=O)Cc1ccccc1 YBYRMVIVWMBXKQ-UHFFFAOYSA-N 4784 BRD-K33422401-001-05-6 phenylmethylsulfonyl-fluoride 1 0 Selleck S3025 PMSF 174.015 FS(=O)(=O)Cc1ccccc1 YBYRMVIVWMBXKQ-UHFFFAOYSA-N 4784 BRD-A65683612-001-07-7 phenylpiracetam 0 91.32 MedChemEx HY-14840 Phenylpiracetam 218.106 "NC(=O)CN1C[C@@H](CC1=O)c1ccccc1 |&1:6,r|" LYONXVJRBWWGQO-SNVBAGLBSA-N 781884 BRD-K55930204-236-23-5 phenytoin 0 96.16 Selleck S2524 Phenytoin sodium 252.09 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 CXOFVDLJLONNDW-UHFFFAOYSA-N 1775 BRD-K55930204-236-24-3 phenytoin 0 99.77 MicroSource 1500485 PHENYTOIN SODIUM 252.09 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 CXOFVDLJLONNDW-UHFFFAOYSA-N 1775 BRD-K55930204-001-20-9 phenytoin 0 98.26 Selleck S2525 Phenytoin 252.09 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 CXOFVDLJLONNDW-UHFFFAOYSA-N 1775 BRD-K44400149-003-01-1 PhiKan-083 0 85.55 Tocris 4326 PhiKan 083 238.147 CCn1c2ccccc2c2cc(CNC)ccc12 LBPNOEAFWYTTEB-UHFFFAOYSA-N 4722579 BRD-K44400149-003-02-9 PhiKan-083 0 97.41 Tocris 4326 PhiKan 083 238.147 CCn1c2ccccc2c2cc(CNC)ccc12 LBPNOEAFWYTTEB-UHFFFAOYSA-N 4722579 BRD-K15563106-001-18-0 phloretin 0 95.59 Selleck S2342 Phloretin 274.084 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 VGEREEWJJVICBM-UHFFFAOYSA-N 4788 BRD-K73756878-001-07-9 phlorizin 0 97.11 Tocris 4627 Phlorizin 436.137 OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O IOUVKUPGCMBWBT-QNDFHXLGSA-N 6072 BRD-K00405906-001-03-9 phloroglucin 0 100 Sigma MFCD00002286 Phloroglucinol 126.032 Oc1cc(O)cc(O)c1 QCDYQQDYXPDABM-UHFFFAOYSA-N 359 BRD-K00405906-001-01-9 phloroglucin 0 98.67 Vitas-M STL146346 126.032 Oc1cc(O)cc(O)c1 QCDYQQDYXPDABM-UHFFFAOYSA-N 359 BRD-K74558903-300-01-5 phortress 0 92.95 Key GS-1302 "(S)-2,6-diamino-N-(4-(5-fluorobenzo[d]thiazol-2-yl)-2-methylphenyl)hexanamide dihydrochloride" 386.158 Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)-c1nc2cc(F)ccc2s1 LFDOEFHQLNGBQQ-HNNXBMFYSA-N 399465 BRD-A10131665-001-02-0 phosphatidylcholine 1 0 Selleck S4411 Phosphatidylcholine. 758.57 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |a:19,&1:22|" JLPULHDHAOZNQI-ZTIMHPMXSA-O 446962 BRD-A10131665-001-03-8 phosphatidylcholine 1 0 Selleck S4411 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 758.57 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |a:19,&1:22|" JLPULHDHAOZNQI-ZTIMHPMXSA-O 446962 BRD-K07460388-019-02-9 PHP-501 0 95.71 Tocris 4466 PHP 501 trifluoroacetate 319.168 On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1 UHEYIOPHTBWBQN-UHFFFAOYSA-N 46204221 BRD-K07460388-019-01-6 PHP-501 0 79.59 Tocris 4466 PHP 501 trifluoroacetate 319.168 On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1 UHEYIOPHTBWBQN-UHFFFAOYSA-N 46204221 BRD-K59745944-001-05-9 PHT-427 0 93.76 Tocris 4598 PHT 427 409.186 CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1 BYWWNRBKPCPJMG-UHFFFAOYSA-N 44240850 BRD-K59745944-001-04-6 PHT-427 0 92.09 Tocris 4598 PHT 427 409.186 CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1 BYWWNRBKPCPJMG-UHFFFAOYSA-N 44240850 BRD-K59745944-001-03-8 PHT-427 0 96.76 Selleck S1556 PHT-427 409.186 CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1 BYWWNRBKPCPJMG-UHFFFAOYSA-N 44240850 BRD-K59745944-001-02-0 PHT-427 0 87.25 Selleck S1556 PHT-427 409.186 CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1 BYWWNRBKPCPJMG-UHFFFAOYSA-N 44240850 BRD-K77115421-001-02-6 phthalylsulfacetamide 0 82.6 Selleck S4365 Phthalylsulfacetamide 362.057 CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1 SNWQKAWITMVCQW-UHFFFAOYSA-N 8574 BRD-K77115421-001-03-4 phthalylsulfacetamide 0 77.69 MicroSource 1505728 PHTHALYLSULFACETAMIDE 362.057 CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1 SNWQKAWITMVCQW-UHFFFAOYSA-N 8574 BRD-K77115421-001-05-9 phthalylsulfacetamide 0 94.32 MedChemEx HY-B0967 Phthalylsulfacetamide 362.057 CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1 SNWQKAWITMVCQW-UHFFFAOYSA-N 8574 BRD-K77115421-001-04-2 phthalylsulfacetamide 0 84.21 Selleck S4365 phthalylsulfacetamide 362.057 CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1 SNWQKAWITMVCQW-UHFFFAOYSA-N 8574 BRD-K64659768-001-13-6 phthalylsulfathiazole 0 80.25 MedChemEx HY-B1407 Phthalylsulfathiazole 403.03 OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 PBMSWVPMRUJMPE-UHFFFAOYSA-N 4806 BRD-K64659768-001-12-8 phthalylsulfathiazole 0 83.45 MicroSource 1502021 PHTHALYLSULFATHIAZOLE 403.03 OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 PBMSWVPMRUJMPE-UHFFFAOYSA-N 4806 BRD-K76568384-001-03-0 PHTPP 0 93.41 Tocris 2662 PHTPP 423.081 Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 AEZPAUSGTAHLOQ-UHFFFAOYSA-N 11201035 BRD-K76568384-001-02-2 PHTPP 0 89.89 Tocris 2662 PHTPP 423.081 Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 AEZPAUSGTAHLOQ-UHFFFAOYSA-N 11201035 BRD-K76568384-001-04-9 PHTPP 0 95.16 Tocris 2662 PHTPP 423.081 Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 AEZPAUSGTAHLOQ-UHFFFAOYSA-N 11201035 BRD-K25650355-065-02-0 physostigmine 0 86.09 MicroSource 2300067 PHYSOSTIGMINE SULFATE 275.163 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 PIJVFDBKTWXHHD-HIFRSBDPSA-N 5983 BRD-K25650355-059-19-7 physostigmine 0 87.8 Selleck S4346 Physostigmine Salicylate 275.163 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 PIJVFDBKTWXHHD-HIFRSBDPSA-N 5983 BRD-A37052580-059-07-6 BRD-K25650355-059-18-9 physostigmine 0 93.77 Selleck S4346 physostigmine salicylate 275.163 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 PIJVFDBKTWXHHD-HIFRSBDPSA-N 5983 BRD-K25650355-059-20-5 physostigmine 0 88.71 Selleck S4346 Physostigmine salicylate 275.163 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 PIJVFDBKTWXHHD-HIFRSBDPSA-N 5983 BRD-K76661572-001-07-6 phytonadione 0 2.14 MicroSource 1505485 PHYTONADIONE [5mM] 450.35 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O |c:20| MBWXNTAXLNYFJB-NKFFZRIASA-N 5284607 BRD-K76661572-001-08-4 phytonadione 0 0 Sigma MFCD00214063 "2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone" 450.35 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O |c:20| MBWXNTAXLNYFJB-NKFFZRIASA-N 5284607 BRD-K05048137-001-03-9 phytosphingosine 0 77.82 Enzo SL150 Phytosphingosine 317.293 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO AERBNCYCJBRYDG-KSZLIROESA-N 122121 BRD-K05048137-001-01-3 phytosphingosine 0 Avanti 860499P phytosphingosine 4-hydroxysphinganine 317.293 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO "InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1" 122121 BRD-K67868012-003-02-3 PI-103 0 96.95 Tocris 2930 PI 103 hydrochloride 348.122 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 TUVCWJQQGGETHL-UHFFFAOYSA-N 9884685 BRD-K67868012-001-07-6 PI-103 0 95.67 Selleck S1038 PI-103 348.122 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 TUVCWJQQGGETHL-UHFFFAOYSA-N 9884685 BRD-K67868012-001-14-2 PI-103 0 Calbiochem 528101 PI-103 348.122 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 "InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2" 9884685 BRD-K97365803-001-04-7 PI-828 0 92.29 Tocris 2814 8-(4-aminophenyl)-2-(4-morpholinyl)-4H-chromen-4-one 322.132 Nc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1 WUKMIBOGGXMBAC-UHFFFAOYSA-N 25181195 BRD-K97365803-001-02-1 PI-828 0 82.48 Tocris 2814 PI 828 322.132 Nc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1 WUKMIBOGGXMBAC-UHFFFAOYSA-N 25181195 BRD-K97365803-001-03-9 PI-828 0 93.17 Tocris 2814 PI 828 322.132 Nc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1 WUKMIBOGGXMBAC-UHFFFAOYSA-N 25181195 BRD-K62374002-001-01-5 PI3K-IN-2 0 94.14 MedChemEx HY-12868 PQR309 411.163 Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F ADGGYDAFIHSYFI-UHFFFAOYSA-N 58507717 BRD-K00004592-001-01-9 PI3Kd-IN-2 0 90.49 MedChemEx HY-102031 PI3Kd-IN-2 588.253 COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)cc(F)cc12)N1CCOCC1 NVWKNQGHVMMAJW-UHFFFAOYSA-N 91754520 BRD-K75528696-001-01-2 PI4KIII-beta-inhibitor-1 0 94.57 MedChemEx HY-100198 PI4KIIIbeta-IN-10 475.124 COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C PLUYFBRIGUAKBR-UHFFFAOYSA-N 71549093 BRD-K17026858-305-02-9 pibenzimol 0 94.39 Tocris 5824 Hoechst 33258 424.201 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(O)cc1 INAAIJLSXJJHOZ-UHFFFAOYSA-N 2392 BRD-K17026858-001-01-2 pibenzimol 0 93.13 MedChemEx HY-15558 Hoechst 33258 424.201 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(O)cc1 INAAIJLSXJJHOZ-UHFFFAOYSA-N 2392 BRD-K02750403-001-02-2 piboserod 0 95.02 MedChemEx HY-15574 Piboserod 369.242 CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 KVCSJPATKXABRQ-UHFFFAOYSA-N 177336 BRD-K02750403-001-01-4 piboserod 0 96.02 MedChemEx HY-15574 Piboserod 369.242 CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 KVCSJPATKXABRQ-UHFFFAOYSA-N 177336 BRD-A71765060-001-01-4 picartamide 0 98.26 Enamine Z2327673151 N-methyl-2-(2-pyridinyl)tetrahydro-2-thiophenecarbothioamide 238.06 "CNC(=S)[C@]1(CCCS1)c1ccccn1 |&1:4,r|" ITNLONMDUMHEOK-NSHDSACASA-N 76960918 BRD-K91509126-001-26-9 piceatannol 0 93.02 Tocris 1554 Piceatannol 244.074 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 CDRPUGZCRXZLFL-OWOJBTEDSA-N 667639 BRD-K91509126-001-25-1 piceatannol 0 97.51 Selleck S3026 Piceatannol 244.074 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 CDRPUGZCRXZLFL-OWOJBTEDSA-N 667639 BRD-K91509126-001-23-6 piceatannol 0 83.85 Selleck S3026 Piceatannol 244.074 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 CDRPUGZCRXZLFL-OWOJBTEDSA-N 667639 BRD-K91509126-001-24-4 piceatannol 0 39.74 Tocris 1554 Piceatannol 244.074 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 CDRPUGZCRXZLFL-OWOJBTEDSA-N 667639 BRD-K47642186-001-04-9 piclamilast 0 98.33 Tocris 4525 Piclamilast 380.069 COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl RRRUXBQSQLKHEL-UHFFFAOYSA-N 154575 BRD-K47642186-001-02-1 piclamilast 0 99.07 Tocris 4525 Piclamilast 380.069 COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl RRRUXBQSQLKHEL-UHFFFAOYSA-N 154575 BRD-K47642186-001-01-3 piclamilast 0 98.27 Enamine Z1629094848 380.069 COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl RRRUXBQSQLKHEL-UHFFFAOYSA-N 154575 BRD-K68653965-001-02-9 picolamine 0 81.94 MedChemEx HY-Y0047 NSC 59706 108.069 NCc1cccnc1 HDOUGSFASVGDCS-UHFFFAOYSA-N 31018 BRD-K68653965-001-01-1 picolamine 0 98.78 MicroSource 1506167 PICOLAMINE 108.069 NCc1cccnc1 HDOUGSFASVGDCS-UHFFFAOYSA-N 31018 BRD-K60612034-001-08-7 picolinic-acid 0 0 Enamine EN300-18459 2-pyridinecarboxylic acid 123.032 OC(=O)c1ccccn1 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1018 BRD-K60612034-001-07-9 picolinic-acid 0 0 Enamine Z57968195 123.032 OC(=O)c1ccccn1 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1018 BRD-K28492574-001-02-9 piconol 0 87.58 MedChemEx HY-Y0004 2-Pyridinemethanol 109.053 OCc1ccccn1 SHNUBALDGXWUJI-UHFFFAOYSA-N 11474 BRD-K28492574-001-01-6 piconol 0 88.45 MicroSource 1506166 PICONOL 109.053 OCc1ccccn1 SHNUBALDGXWUJI-UHFFFAOYSA-N 11474 BRD-K67277431-001-11-9 picotamide 0 94.18 Sigma P8477 Picotamide 376.154 COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1 KYWCWBXGRWWINE-UHFFFAOYSA-N 4814 BRD-K67277431-002-10-5 picotamide 0 99.78 Prestwick Prestw-119 Picotamide monohydrate 376.154 COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1 KYWCWBXGRWWINE-UHFFFAOYSA-N 4814 BRD-A91822151-001-05-0 picrotin 0 100 SantaCruz sc-228947 Picrotin 310.105 "CC(C)(O)[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(O)C[C@H]3O[C@]33C(=O)O[C@@H]2[C@@]13C |&1:4,&2:5,&3:9,&4:10,&5:13,&6:15,&7:19,&8:20,r|" RYEFFICCPKWYML-XSVQNFTRSA-N BRD-K36461289-001-05-8 picrotoxinin 0 100 Selleck S4405 Picrotoxinin 292.095 CC(=C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C PIMZUZSSNYHVCU-KBLUICEQSA-N 7098683 BRD-K36461289-001-06-6 picrotoxinin 0 57.4 Selleck S4405 Picrotoxinin 292.095 CC(=C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C PIMZUZSSNYHVCU-KBLUICEQSA-N 7098683 BRD-K57313110-001-06-8 pidolic-acid 0 92.71 MicroSource 1506185 PIDOLIC ACID 129.043 OC(=O)[C@@H]1CCC(=O)N1 ODHCTXKNWHHXJC-VKHMYHEASA-N 7405 BRD-K44442813-001-13-9 pidotimod 0 94.03 MedChemEx HY-B0944 Pidotimod 244.052 OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 UUTKICFRNVKFRG-WDSKDSINSA-N 65944 BRD-K44442813-001-12-9 pidotimod 0 92.63 MicroSource 1502322 PIDOTIMOD 244.052 OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 UUTKICFRNVKFRG-WDSKDSINSA-N 65944 BRD-K44442813-001-11-1 pidotimod 0 91.7 Selleck S3106 Pidotimod 244.052 OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 UUTKICFRNVKFRG-WDSKDSINSA-N 65944 BRD-K66874953-004-07-0 pifithrin-alpha 0 0 Selleck S2929 Pifithrin-? (PFT?) 286.114 Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N OLTZHXYLLRJLST-UHFFFAOYSA-N 4817 BRD-K66874953-004-09-6 pifithrin-alpha 0 29.69 Selleck S2929 Pifithrin-?? 286.114 Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N OLTZHXYLLRJLST-UHFFFAOYSA-N 4817 BRD-K66874953-004-08-8 pifithrin-alpha 0 0 Tocris 1267 Pifithrin-? hydrobromide 286.114 Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N OLTZHXYLLRJLST-UHFFFAOYSA-N 4817 BRD-K31792052-004-02-7 pifithrin-cyclic 0 94.97 Tocris 3843 Cyclic Pifithrin-? hydrobromide 268.103 Cc1ccc(cc1)-c1cn2c3CCCCc3sc2n1 IMUKUMUNZJILCG-UHFFFAOYSA-N 443278 BRD-K31792052-004-03-9 pifithrin-cyclic 0 97.07 Tocris 3843 Cyclic Pifithrin-alpha hydrobromide 268.103 Cc1ccc(cc1)-c1cn2c3CCCCc3sc2n1 IMUKUMUNZJILCG-UHFFFAOYSA-N 443278 BRD-K96799727-001-06-6 pifithrin-mu 0 93.79 Tocris 2653 Pifithrin-? 181.02 NS(=O)(=O)C#Cc1ccccc1 ZZUZYEMRHCMVTB-UHFFFAOYSA-N 327653 BRD-K96799727-001-05-8 pifithrin-mu 0 88.74 Selleck S2930 Pifithrin-? 181.02 NS(=O)(=O)C#Cc1ccccc1 ZZUZYEMRHCMVTB-UHFFFAOYSA-N 327653 BRD-K96799727-001-07-4 pifithrin-mu 0 95.11 Selleck S2930 Pifithrin-?? 181.02 NS(=O)(=O)C#Cc1ccccc1 ZZUZYEMRHCMVTB-UHFFFAOYSA-N 327653 BRD-K30977212-001-02-8 PIK-293 0 96.54 Selleck S2207 PIK-293 397.165 Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc23)nc2cccc(C)c2c1=O KQDBVHKNIYROHU-UHFFFAOYSA-N 53245636 BRD-K30977212-001-03-6 PIK-293 0 96.72 Selleck S2207 PIK-293 397.165 Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc23)nc2cccc(C)c2c1=O KQDBVHKNIYROHU-UHFFFAOYSA-N 53245636 BRD-K50631926-001-03-9 PIK-294 0 97.48 MedChemEx HY-10303 PIK-294 489.191 Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O WFSLJOPRIJSOJR-UHFFFAOYSA-N 24905149 BRD-K50631926-001-02-3 PIK-294 0 97.97 Selleck S2227 PIK-294 489.191 Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O WFSLJOPRIJSOJR-UHFFFAOYSA-N 24905149 BRD-K49371609-003-03-8 PIK-75 0 98 Selleck S1205 PIK-75 450.995 CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O QTHCAAFKVUWAFI-DJKKODMXSA-N 10275789 BRD-K29395450-001-06-8 PIK-93 0 92.8 Selleck S1489 PIK-93 389.027 CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO JFVNFXCESCXMBC-UHFFFAOYSA-N 6852167 BRD-K56691760-001-01-2 pikamilone 0 98.59 Enamine Z235541930 208.085 OC(=O)CCCNC(=O)c1cccnc1 NAJVRARAUNYNDX-UHFFFAOYSA-N 60608 BRD-A85548292-001-01-8 piketoprofen 0 93.58 Enamine Z1537384907 344.152 "C[C@@H](C(=O)Nc1cc(C)ccn1)c1cccc(c1)C(=O)c1ccccc1 |&1:1,r|" ASFKKFRSMGBFRO-MRXNPFEDSA-N 68571753 BRD-A85548292-001-02-9 piketoprofen 0 Broad Institute Piketoprofen Piketoprofen 344.152 "C[C@@H](C(=O)Nc1cc(C)ccn1)c1cccc(c1)C(=O)c1ccccc1 |&1:1,r|" ASFKKFRSMGBFRO-MRXNPFEDSA-N 68571753 BRD-K49456274-001-01-9 pilaralisib 0 95.08 MedChemEx HY-16526 XL-147 540.135 COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 QINPEPAQOBZPOF-UHFFFAOYSA-N 56599306 BRD-K49456274-001-03-9 pilaralisib 0 96.13 MedChemEx HY-16526 Pilaralisib 540.135 COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 QINPEPAQOBZPOF-UHFFFAOYSA-N 56599306 BRD-K85090592-003-20-2 pilocarpine 0 83.07 Tocris 694 Pilocarpine hydrochloride 208.121 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O QCHFTSOMWOSFHM-WPRPVWTQSA-N 5910 BRD-K85090592-003-23-9 pilocarpine 0 88.76 Tocris 694 Pilocarpine hydrochloride 208.121 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O QCHFTSOMWOSFHM-WPRPVWTQSA-N 5910 BRD-K85090592-008-22-7 pilocarpine 0 99.14 MicroSource 1500487 PILOCARPINE NITRATE 208.121 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O QCHFTSOMWOSFHM-WPRPVWTQSA-N 5910 BRD-K85090592-003-19-4 pilocarpine 0 95.8 Tocris 694 Pilocarpine hydrochloride 208.121 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O QCHFTSOMWOSFHM-WPRPVWTQSA-N 5910 BRD-K85090592-003-18-6 pilocarpine 0 90.14 Selleck S4231 Pilocarpine HCl 208.121 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O QCHFTSOMWOSFHM-WPRPVWTQSA-N 5910 BRD-K83245588-001-01-4 pilsicainide 0 99.35 AKSci H671 272.189 Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2 BCQTVJKBTWGHCX-UHFFFAOYSA-N 4820 BRD-K48832421-001-02-2 PIM-1-Inhibitor-2 0 86.98 Tocris 3589 PIM-1 Inhibitor 2 322.062 Nc1nccc(n1)-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 AQVFETGXIRKVAQ-UHFFFAOYSA-N 2765355 BRD-K48832421-001-01-4 PIM-1-Inhibitor-2 0 62.41 Tocris 3589 PIM-1 Inhibitor 2 322.062 Nc1nccc(n1)-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 AQVFETGXIRKVAQ-UHFFFAOYSA-N 2765355 BRD-K48832421-001-03-9 PIM-1-Inhibitor-2 0 96.9 Tocris 3589 PIM-1 Inhibitor 2 322.062 Nc1nccc(n1)-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 AQVFETGXIRKVAQ-UHFFFAOYSA-N 2765355 BRD-K00003280-300-01-9 PIM-447 0 97.01 MedChemEx HY-19322B PIM-447 (dihydrochloride) 440.182 C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F VRQXRVAKPDCRCI-ZNMIVQPWSA-N 44814409 BRD-K83405785-001-01-5 pimavanserin 0 88.73 MedChemEx HY-14557 Pimavanserin 427.264 CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 RKEWSXXUOLRFBX-UHFFFAOYSA-N 10071196 BRD-K83405785-001-03-9 pimavanserin 0 98.11 MedChemEx HY-14557 Pimavanserin 427.264 CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 RKEWSXXUOLRFBX-UHFFFAOYSA-N 10071196 BRD-K92107055-001-02-9 pimecrolimus 0 95.57 MedChemEx HY-13723 Pimecrolimus 809.448 CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC |c:3| KASDHRXLYQOAKZ-YFMQXNBHSA-N 133659920 BRD-K92107055-001-01-9 pimecrolimus 0 90.71 Selleck S5004 Pimecrolimus 809.448 CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC |c:3| KASDHRXLYQOAKZ-YFMQXNBHSA-N 133659920 BRD-K97729603-001-01-2 BRD-K88090157-050-10-8 pimethixene 0 97.82 MicroSource 1501114 PIMETHIXENE MALEATE 293.124 CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12 NZLVRVYNQYGMAB-UHFFFAOYSA-N 4822 BRD-K88090157-050-11-9 pimethixene 0 98.19 Toronto p445503 pimethixene maleate 293.124 CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12 NZLVRVYNQYGMAB-UHFFFAOYSA-N 4822 BRD-K01826269-001-04-9 pimobendan 0 99.25 MedChemEx HY-B0204 Pimobendan 334.143 "COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C1=NNC(=O)C[C@H]1C |&1:23,t:20|" GLBJJMFZWDBELO-LLVKDONJSA-N 7120080 BRD-K00003127-001-01-9 pimodivir 0 95.34 MedChemEx HY-12353A Pimodivir 399.151 OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 JGPXDNKSIXAZEQ-SBBZOCNPSA-N 67286591 BRD-A67521319-001-01-6 pimonidazole 0 94.99 Cayman 89130 254.138 "O[C@@H](CN1CCCCC1)Cn1ccnc1[N+]([O-])=O |&1:1,r|" WVWOOAYQYLJEFD-JTQLQIEISA-N 6713657 BRD-K01292756-001-27-6 pimozide 0 95.41 Tocris 937 Pimozide 461.228 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 YVUQSNJEYSNKRX-UHFFFAOYSA-N 16362 BRD-K01292756-001-23-5 pimozide 0 96.89 Selleck S4358 Pimozide 461.228 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 YVUQSNJEYSNKRX-UHFFFAOYSA-N 16362 BRD-K01292756-001-25-0 pimozide 0 97.81 MicroSource 1501134 PIMOZIDE 461.228 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 YVUQSNJEYSNKRX-UHFFFAOYSA-N 16362 BRD-K01292756-001-24-3 pimozide 0 96.53 Tocris 937 Pimozide 461.228 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 YVUQSNJEYSNKRX-UHFFFAOYSA-N 16362 BRD-A43882281-001-14-8 pinacidil 0 97.33 Selleck S4366 245.164 "C[C@@H](NC(Nc1ccncc1)=NC#N)C(C)(C)C |&1:1,r|" IVVNZDGDKPTYHK-SNVBAGLBSA-N 12428581 BRD-A43882281-001-15-5 pinacidil 0 98.87 MicroSource 2300270 245.164 "C[C@@H](NC(Nc1ccncc1)=NC#N)C(C)(C)C |&1:1,r|" IVVNZDGDKPTYHK-SNVBAGLBSA-N 12428581 BRD-A43882281-002-18-9 pinacidil 0 94.96 MedChemEx HY-14290A Pinacidil monohydrate 245.164 "C[C@@H](NC(Nc1ccncc1)=NC#N)C(C)(C)C |&1:1,r|" IVVNZDGDKPTYHK-SNVBAGLBSA-N 12428581 BRD-K32485706-001-01-5 pinanediol 0 1.44 Sigma 282367-1G "(1S,2R,3R,5S)-(+)-Pinanediol" 170.131 CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@H](O)C2 MOILFCKRQFQVFS-OORONAJNSA-N 10219606 BRD-A13175897-004-01-0 pinaverium 0 99.42 CombiBlocks QE-3811 510.222 "COc1cc(Br)c(C[N+]2(CCOCC[C@H]3CC[C@@H]4C[C@H]3C4(C)C)CCOCC2)cc1OC |&1:17,19,&2:14,r|" DDHUTBKXLWCZCO-CEMLEFRQSA-N 73416161 BRD-K90727284-001-05-0 pincainide 0 96.6 Enamine Z46160202 "2-(1-azepanyl)-N-(2,6-dimethylphenyl)acetamide" 260.189 Cc1cccc(C)c1NC(=O)CN1CCCCCC1 RJOUHGWLHPOQSA-UHFFFAOYSA-N 71267 BRD-A97701745-001-14-5 pindolol 0 81.9 Selleck S4406 Pindolol 248.152 "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12 |&1:5,r|" JZQKKSLKJUAGIC-LLVKDONJSA-N 155030 BRD-A97701745-001-18-9 pindolol 0 92.46 Tocris 994 Pindolol 248.152 "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12 |&1:5,r|" JZQKKSLKJUAGIC-LLVKDONJSA-N 155030 BRD-A97701745-001-15-2 pindolol 0 89.87 Tocris 994 Pindolol 248.152 "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12 |&1:5,r|" JZQKKSLKJUAGIC-LLVKDONJSA-N 155030 BRD-A97701745-001-16-0 pindolol 0 97.25 MicroSource 1500488 PINDOLOL 248.152 "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12 |&1:5,r|" JZQKKSLKJUAGIC-LLVKDONJSA-N 155030 BRD-K95598440-001-10-9 pindolol-(-) 0 93.26 Tocris 1060 (S)-(-)-Pindolol 248.152 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 JZQKKSLKJUAGIC-NSHDSACASA-N 688095 BRD-K95598440-001-09-3 pindolol-(-) 0 71.68 Tocris 1060 (S)-(-)-Pindolol 248.152 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 JZQKKSLKJUAGIC-NSHDSACASA-N 688095 BRD-K87873585-001-02-9 pinitol 0 CombiBlocks JRSACHER_006-10-2 D-pinitol 194.079 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O DSCFFEYYQKSRSV-KLJZZCKASA-N BRD-K94689771-001-09-0 pinocembrin 0 0 Enzo NP233 Pinocembrin 256.074 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 URFCJEUYXNAHFI-ZDUSSCGKSA-N 68071 BRD-K94689771-001-10-9 pinocembrin 0 97.52 Sigma MFCD06858345 Pinocembrin 256.074 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 URFCJEUYXNAHFI-ZDUSSCGKSA-N 68071 BRD-K01826904-001-08-9 pioglitazone 0 97.91 Selleck S2590 356.119 CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 |&1:14| HYAFETHFCAUJAY-QGZVFWFLSA-N 29010894 BRD-K26801045-001-02-9 pipamperone 0 89.65 MicroSource 1505690 PIPAMPERONE 375.232 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 AXKPFOAXAHJUAG-UHFFFAOYSA-N 4830 BRD-K26801045-300-01-7 pipamperone 0 92.76 Sigma P3246-100MG Pipamperone dihydrochloride 375.232 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 AXKPFOAXAHJUAG-UHFFFAOYSA-N 4830 BRD-A21544762-303-01-5 pipecuronium 0 98.54 Kemprotec 52212-02-9 "4,4'-((2S,3S,5S,8R,9S,10S,13S,14S,16S)-3,17-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1,1-dimethylpiperazin-1-ium) bromide" 602.477 "CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 |a:5,7,8,11,13,18,20,22,25,&1:4|" OWWLUIWOFHMHOQ-XGHATYIMSA-N 50192 BRD-K08999871-001-16-9 pipemidic-acid 0 99.07 MedChemEx HY-B1210 Pipemidic acid 303.133 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCNCC1 JOHZPMXAZQZXHR-UHFFFAOYSA-N 6921791 BRD-K08999871-213-01-5 pipemidic-acid 0 90.96 MicroSource 1502024 PIPEMIDIC ACID 303.133 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCNCC1 JOHZPMXAZQZXHR-UHFFFAOYSA-N 6921791 BRD-A53561827-004-22-3 pipenzolate 0 94.39 Selleck S4347 Pipenzolate Bromide 354.207 "CC[N@@+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:2,&2:7|" WPUKUEMZZRVAKZ-REWPJTCUSA-N 16048561 BRD-A53561827-004-23-1 pipenzolate 0 97.76 MicroSource 1503053 PIPENZOLATE BROMIDE 354.207 "CC[N@@+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:2,&2:7|" WPUKUEMZZRVAKZ-REWPJTCUSA-N 16048561 BRD-A53561827-004-24-9 pipenzolate 0 95.14 Selleck S4347 PIPENZOLATE BROMIDE 354.207 "CC[N@@+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |&1:2,&2:7|" WPUKUEMZZRVAKZ-REWPJTCUSA-N 16048561 BRD-K16277217-001-10-9 piperacetazine 0 94.04 MicroSource 1503874 PIPERACETAZINE 410.203 CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1 BTFMCMVEUCGQDX-UHFFFAOYSA-N 19675 BRD-K16277217-001-11-9 piperacetazine 0 93.37 MedChemEx HY-B1152 Piperacetazine 410.203 CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1 BTFMCMVEUCGQDX-UHFFFAOYSA-N 19675 BRD-K86873305-236-17-0 piperacillin 0 96.3 MedChemEx HY-B1286 Piperacillin (sodium) 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K86873305-236-16-2 piperacillin 0 66.97 MedChemEx HY-B1286 Piperacillin (sodium) 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K86873305-236-15-4 piperacillin 0 26.27 Sigma MFCD00917471 "sodium (2S,5R,6R)-6-[((2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylethanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K86873305-236-18-8 piperacillin 0 34.75 Selleck S4222 Piperacillin Sodium 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K67009182-236-01-6 BRD-K86873305-236-19-6 piperacillin 0 81.18 Selleck S4222 PIPERACILLIN SODIUM 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K86873305-236-14-7 piperacillin 0 79.83 Selleck S4222 Piperacillin Sodium 517.163 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O IVBHGBMCVLDMKU-GXNBUGAJSA-N 43672 BRD-K27382019-418-01-9 piperaquine-phosphate 0 96.15 AKSci H853 534.207 Clc1ccc2c(ccnc2c1)N1CCN(CCCN2CCN(CC2)c2ccnc3cc(Cl)ccc23)CC1 UCRHFBCYFMIWHC-UHFFFAOYSA-N 122262 BRD-K13249881-001-05-9 piperazine 0 100 MedChemEx HY-B0912 Piperazine 86.084 C1CNCCN1 GLUUGHFHXGJENI-UHFFFAOYSA-N 4837 BRD-K13249881-001-02-3 piperazine 0 100 MicroSource 1500490 PIPERAZINE 86.084 C1CNCCN1 GLUUGHFHXGJENI-UHFFFAOYSA-N 4837 BRD-K95941975-001-01-5 piperazinedione 0 97.3 Enamine Z56854487 "2,5-piperazinedione" 114.043 O=C1CNC(=O)CN1 BXRNXXXXHLBUKK-UHFFFAOYSA-N 7817 BRD-A97479839-003-13-3 piperidolate 0 98.09 MicroSource 1502197 PIPERIDOLATE HYDROCHLORIDE 323.189 CCN1CCC[C@@H](C1)OC(=O)C(c1ccccc1)c1ccccc1 |&1:6| KTHVBAZBLKXIHZ-IBGZPJMESA-N 688565 BRD-A97479839-001-14-9 piperidolate 0 95.69 MedChemEx HY-B0962A Piperidolate 323.189 CCN1CCC[C@@H](C1)OC(=O)C(c1ccccc1)c1ccccc1 |&1:6| KTHVBAZBLKXIHZ-IBGZPJMESA-N 688565 BRD-K59522102-001-13-8 piperine 0 43.11 Selleck S2344 Piperine 285.136 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1 MXXWOMGUGJBKIW-YPCIICBESA-N 638024 BRD-K59522102-001-18-9 piperine 0 91.57 MedChemEx HY-N0144 Piperine 285.136 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1 MXXWOMGUGJBKIW-YPCIICBESA-N 638024 BRD-K59522102-001-14-6 piperine 0 94.51 MicroSource 1500873 PIPERINE 285.136 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1 MXXWOMGUGJBKIW-YPCIICBESA-N 638024 BRD-K59522102-001-15-3 piperine 0 97.26 Selleck S2344 Piperine (1-Piperoylpiperidine) 285.136 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1 MXXWOMGUGJBKIW-YPCIICBESA-N 638024 BRD-K76452401-001-05-9 piperonyl-butoxide 0 90.25 MedChemEx HY-B1198 Piperonyl butoxide 338.209 CCCCOCCOCCOCc1cc2OCOc2cc1CCC FIPWRIJSWJWJAI-UHFFFAOYSA-N 5794 BRD-K76452401-001-03-6 piperonyl-butoxide 0 88.86 MicroSource 1504191 PIPERONYL BUTOXIDE 338.209 CCCCOCCOCCOCc1cc2OCOc2cc1CCC FIPWRIJSWJWJAI-UHFFFAOYSA-N 5794 BRD-K15656090-001-04-0 pipobroman 0 0 MicroSource 1503393 PIPOBROMAN 353.958 BrCCC(=O)N1CCN(CC1)C(=O)CCBr NJBFOOCLYDNZJN-UHFFFAOYSA-N 4842 BRD-K15656090-001-06-5 pipobroman 0 0 MedChemEx HY-16398 Pipobroman 353.958 BrCCC(=O)N1CCN(CC1)C(=O)CCBr NJBFOOCLYDNZJN-UHFFFAOYSA-N 4842 BRD-K15656090-001-07-3 pipobroman 0 81.16 MedChemEx HY-16398 Pipobroman 353.958 BrCCC(=O)N1CCN(CC1)C(=O)CCBr NJBFOOCLYDNZJN-UHFFFAOYSA-N 4842 BRD-K00003317-312-01-9 pipofezine 0 97.43 MedChemEx HY-A0022A Azaphen (dihydrochloride monohydrate) 297.159 CN1CCN(CC1)c1cc2N(C)c3ccccc3Oc2nn1 SDYYIRPAZHJOLM-UHFFFAOYSA-N 159977 BRD-K00004560-001-01-9 pipotiazine 0 0 Sigma MFCD00941480 "10-{3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl}-N,N-dimethyl-10H-phenothiazine-2-sulfonamide" 475.196 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1 JOMHSQGEWSNUKU-UHFFFAOYSA-N 62867 BRD-K48429278-001-01-3 pipotiazine-palmitate 0 75.11 Sigma MFCD00866713 2-[1-(3-{2-[(dimethylamino)sulfonyl]-10H-phenothiazin-10-yl}propyl)-4-piperidinyl]ethyl palmitate 713.426 CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)S(=O)(=O)N(C)C)CC1 KTOYYUONFQWSMW-UHFFFAOYSA-N 37767 BRD-K19456237-001-27-6 piracetam 0 100 MicroSource 1502195 PIRACETAM 142.074 NC(=O)CN1CCCC1=O GMZVRMREEHBGGF-UHFFFAOYSA-N 4843 BRD-K19456237-001-26-8 piracetam 0 93.28 Selleck S3070 Piracetam 142.074 NC(=O)CN1CCCC1=O GMZVRMREEHBGGF-UHFFFAOYSA-N 4843 BRD-K83794624-003-02-1 pirarubicin 0 71.82 MedChemEx HY-13725A Pirarubicin (Hydrochloride) 627.232 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO KMSKQZKKOZQFFG-YXRRJAAWSA-N 11296583 BRD-K83794624-003-01-3 pirarubicin 0 28.49 MedChemEx HY-13725A "(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxy-4-O-[(2R)-tetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranoside hydrochloride" 627.232 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO KMSKQZKKOZQFFG-YXRRJAAWSA-N 11296583 BRD-K83794624-001-02-5 pirarubicin 0 2.19 Selleck S1393 Pirarubicin 627.232 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO KMSKQZKKOZQFFG-YXRRJAAWSA-N 11296583 BRD-K83794624-001-03-3 pirarubicin 0 29.74 Selleck S1393 Pirarubicin 627.232 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO KMSKQZKKOZQFFG-YXRRJAAWSA-N 11296583 BRD-K65992024-001-01-5 pirenoxine 0 94.2 AKSci H039 308.043 OC(=O)c1cc(=O)c2c3nc4ccccc4oc3cc(=O)c2[nH]1 OKPNYGAWTYOBFZ-UHFFFAOYSA-N 4846 BRD-K25224017-001-26-9 pirenperone 0 95.78 Sigma MFCD00069332 Pirenperone 393.185 Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 HXCNRYXBZNHDNE-UHFFFAOYSA-N 4847 BRD-K25224017-001-25-0 pirenperone 0 98.26 Prestwick Prestw-531 Pirenperone 393.185 Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 HXCNRYXBZNHDNE-UHFFFAOYSA-N 4847 BRD-K89375097-300-08-8 pirenzepine 0 98.27 MicroSource 1501138 PIRENZEPINE HYDROCHLORIDE 351.17 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 RMHMFHUVIITRHF-UHFFFAOYSA-N 4848 BRD-K89375097-300-09-9 pirenzepine 0 98.33 MedChemEx HY-17037 Pirenzepine (dihydrochloride) 351.17 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 RMHMFHUVIITRHF-UHFFFAOYSA-N 4848 BRD-K87990216-001-10-2 piretanide 0 99.31 Prestwick Prestw-1047 Piretanide 362.094 NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc1ccccc1)C(O)=O UJEWTUDSLQGTOA-UHFFFAOYSA-N 4849 BRD-K96862998-001-17-9 pirfenidone 0 96.76 MedChemEx HY-B0673 Pirfenidone 185.084 Cc1ccc(=O)n(c1)-c1ccccc1 ISWRGOKTTBVCFA-UHFFFAOYSA-N 40632 BRD-K96862998-001-14-8 pirfenidone 0 95.49 Selleck S2907 Pirfenidone 185.084 Cc1ccc(=O)n(c1)-c1ccccc1 ISWRGOKTTBVCFA-UHFFFAOYSA-N 40632 BRD-K96862998-001-15-5 pirfenidone 0 97.6 Tocris 1093 Pirfenidone 185.084 Cc1ccc(=O)n(c1)-c1ccccc1 ISWRGOKTTBVCFA-UHFFFAOYSA-N 40632 BRD-K47936004-003-11-4 piribedil 0 87.35 Tocris 1031 Piribedil hydrochloride 298.143 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1 OQDPVLVUJFGPGQ-UHFFFAOYSA-N 4850 BRD-K00004544-001-01-9 piricapiron 0 94.85 Vitas-M STK012745 "1,8,8-trimethyl-3-{4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3-azabicyclo[3.2.1]octane-2,4-dione" 398.268 "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(CC1)c1ccccn1)C2=O |&1:3,6|" NCMIPRCQUMYAEC-JPYJTQIMSA-N 5545745 BRD-K01902415-001-13-3 pirinixic-acid 0 96.42 Tocris 1312 WY 14643 323.05 Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C SZRPDCCEHVWOJX-UHFFFAOYSA-N 5694 BRD-K01902415-001-14-9 pirinixic-acid 0 94.09 Tocris 1312 WY 14643 323.05 Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C SZRPDCCEHVWOJX-UHFFFAOYSA-N 5694 BRD-K01902415-001-10-9 pirinixic-acid 0 96.66 Selleck S8029 WY-14643 (Pirinixic Acid) 323.05 Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C SZRPDCCEHVWOJX-UHFFFAOYSA-N 5694 BRD-K01902415-001-11-7 pirinixic-acid 0 97.87 Tocris 1312 WY 14643 323.05 Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C SZRPDCCEHVWOJX-UHFFFAOYSA-N 5694 BRD-K01826702-066-07-9 pirlindole 0 90 Tocris 724 Pirlindole mesylate 226.147 Cc1ccc2n3CCN[C@H]4CCCc(c34)c2c1 |&1:9| IWVRVEIKCBFZNF-ZDUSSCGKSA-N 667444 BRD-K00003530-003-01-9 pirmenol 0 74.62 MedChemEx HY-100795A Pirmenol (hydrochloride) 338.236 "C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1 |a:1,5,&1:11|" APUDBKTWDCXQJA-XQBPLPMBSA-N 76962234 BRD-A96510685-213-03-7 piroctone-olamine 0 0 MicroSource 1503875 PIROCTONE OLAMINE 237.173 C[C@@H](Cc1cc(C)cc(=O)n1O)CC(C)(C)C |&1:1| OIQJEQLSYJSNDS-NSHDSACASA-N 38988592 BRD-M95050869-001-01-2 BRD-K22261391-001-01-2 pirodavir 0 98.34 MedChemEx HY-13784 Pirodavir 369.205 CCOC(=O)c1ccc(OCCC2CCN(CC2)c2ccc(C)nn2)cc1 KCHIOGFOPPOUJC-UHFFFAOYSA-N 71345 BRD-K22261391-001-02-9 pirodavir 0 95.62 MedChemEx HY-13784 Pirodavir 369.205 CCOC(=O)c1ccc(OCCC2CCN(CC2)c2ccc(C)nn2)cc1 KCHIOGFOPPOUJC-UHFFFAOYSA-N 71345 BRD-K37682401-001-10-9 piromidic-acid 0 100 MedChemEx HY-B1043 Piromidic acid 288.122 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1 RCIMBBZXSXFZBV-UHFFFAOYSA-N 4855 BRD-K37682401-213-01-1 piromidic-acid 0 88.48 MicroSource 1502045 PIROMIDIC ACID 288.122 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1 RCIMBBZXSXFZBV-UHFFFAOYSA-N 4855 BRD-K37682401-001-08-5 piromidic-acid 0 63.45 Selleck S4348 Piromidic Acid 288.122 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1 RCIMBBZXSXFZBV-UHFFFAOYSA-N 4855 BRD-K37682401-001-09-3 piromidic-acid 0 96.79 Selleck S4348 piromidic acid 288.122 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1 RCIMBBZXSXFZBV-UHFFFAOYSA-N 4855 BRD-K01826746-001-05-9 piroxicam 0 93.49 Tocris 960 Piroxicam 331.063 CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12| QYSPLQLAKJAUJT-UHFFFAOYSA-N 54676228 BRD-K71977764-001-01-2 piroximone 0 99.6 Enamine Z2306534716 "4-ethyl-5-isonicotinoyl-1,3-dihydro-2H-imidazol-2-one" 217.085 CCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1 OQGWJZOWLHWFME-UHFFFAOYSA-N 55263 BRD-K00004581-001-01-9 pirozadil 0 97.32 MedChemEx HY-100144 Pirozadil 527.179 COc1cc(cc(OC)c1OC)C(=O)OCc1cccc(COC(=O)c2cc(OC)c(OC)c(OC)c2)n1 DIIBXMIIOQXTHW-UHFFFAOYSA-N 68711 BRD-K63651590-001-01-3 pirquinozol 0 98.69 Enamine Z2467129407 "2-(hydroxymethyl)pyrazolo[1,5-c]quinazolin-5(6H)-one" 215.069 OCc1cc2c3ccccc3[nH]c(=O)n2n1 XLUKOGNIEDDIMV-UHFFFAOYSA-N 135449340 BRD-K43978949-075-03-9 PIT 0 41.7 Tocris 1682 PIT 224.059 [O-][N+]1=C(C(=O)c2ccccc12)c1ccccn1 |t:1| LXEZPPZLNVOLDI-UHFFFAOYSA-N 124334 BRD-K43978949-075-02-5 PIT 0 24.71 Tocris 1682 PIT 224.059 [O-][N+]1=C(C(=O)c2ccccc12)c1ccccn1 |t:1| LXEZPPZLNVOLDI-UHFFFAOYSA-N 124334 BRD-K75958547-238-03-9 pitavastatin 0 96.93 Tocris 4942 Pitavastatin calcium 421.169 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O VGYFMXBACGZSIL-MCBHFWOFSA-N 5282452 BRD-K75958547-238-04-9 pitavastatin 0 94.74 Adooq A10737 Livalo 421.169 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O VGYFMXBACGZSIL-MCBHFWOFSA-N 5282452 BRD-K75958547-238-02-8 pitavastatin 0 95.88 Tocris 4942 Pitavastatin calcium 421.169 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O VGYFMXBACGZSIL-MCBHFWOFSA-N 5282452 BRD-M62817595-238-02-0 BRD-K75958547-238-01-0 pitavastatin 0 96.25 Selleck S1759 Pitavastatin Calcium 421.169 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O VGYFMXBACGZSIL-MCBHFWOFSA-N 5282452 BRD-M62817595-238-01-2 BRD-K21673112-003-02-1 pitolisant 0 93.31 Tocris 3743 BF 2649 295.17 Clc1ccc(CCCOCCCN2CCCCC2)cc1 NNACHAUCXXVJSP-UHFFFAOYSA-N 9948102 BRD-K21673112-003-01-3 pitolisant 0 97 Tocris 3743 BF 2649 295.17 Clc1ccc(CCCOCCCN2CCCCC2)cc1 NNACHAUCXXVJSP-UHFFFAOYSA-N 9948102 BRD-K21673112-003-03-9 pitolisant 0 90.58 Tocris 3743 BF 2649 hydrochloride 295.17 Clc1ccc(CCCOCCCN2CCCCC2)cc1 NNACHAUCXXVJSP-UHFFFAOYSA-N 9948102 BRD-K62264492-001-02-3 pivagabine 0 0 Enamine Z85888809 "4-[(2,2-dimethylpropanoyl)amino]butanoic acid" 187.121 CC(C)(C)C(=O)NCCCC(O)=O SRPNQDXRVRCTNK-UHFFFAOYSA-N 68888 BRD-K62264492-001-01-5 pivagabine 0 53.16 Enamine Z85888809 187.121 CC(C)(C)C(=O)NCCCC(O)=O SRPNQDXRVRCTNK-UHFFFAOYSA-N 68888 BRD-K32791151-001-04-0 pivampicillin 0 38.24 Prestwick Prestw-1009 Pivampicillin 463.178 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O ZEMIJUDPLILVNQ-ZXFNITATSA-N 33478 BRD-K20504455-001-01-0 pivanex 0 0 Sigma MFCD00209896 "[(2,2-dimethylpropanoyl)oxy]methyl butyrate" 202.121 CCCC(=O)OCOC(=O)C(C)(C)C GYKLFBYWXZYSOW-UHFFFAOYSA-N 60748 BRD-K67100011-001-01-8 pivmecillinam 0 58.05 Sigma SML0817 "[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6R)-6-{[(E)-1-azepanylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" 439.214 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](\N=C\N1CCCCCC1)C2=O NPGNOVNWUSPMDP-UTEPHESZSA-N BRD-K67100011-003-07-1 pivmecillinam 0 95.37 MedChemEx HY-B0810A Pivmecillinam (hydrochloride) 439.214 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](\N=C\N1CCCCCC1)C2=O NPGNOVNWUSPMDP-UTEPHESZSA-N BRD-K67100011-003-06-3 pivmecillinam 0 84.34 Prestwick Prestw-1053 Pivmecillinam hydrochloride 439.214 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](\N=C\N1CCCCCC1)C2=O NPGNOVNWUSPMDP-UTEPHESZSA-N BRD-K48304345-332-02-4 pixantrone 0 48.21 MedChemEx HY-13727A Pixantrone (dimaleate) 325.154 NCCNc1ccc(NCCN)c2C(=O)c3cnccc3C(=O)c12 PEZPMAYDXJQYRV-UHFFFAOYSA-N 134019 BRD-K48304345-332-01-6 pixantrone 0 53.02 MedChemEx HY-13727A Pixantrone (dimaleate) 325.154 NCCNc1ccc(NCCN)c2C(=O)c3cnccc3C(=O)c12 PEZPMAYDXJQYRV-UHFFFAOYSA-N 134019 BRD-K75958195-001-10-9 pizotifen 0 94.33 MedChemEx HY-B0115 Pizotifen 295.139 CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12 FIADGNVRKBPQEU-UHFFFAOYSA-N 27400 BRD-K75958195-037-09-4 pizotifen 0 98.76 MicroSource 1505003 PIZOTYLINE MALATE 295.139 CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12 FIADGNVRKBPQEU-UHFFFAOYSA-N 27400 BRD-K75958195-037-08-6 pizotifen 0 99.14 Selleck S1394 Pizotifen Malate 295.139 CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12 FIADGNVRKBPQEU-UHFFFAOYSA-N 27400 BRD-K11853856-003-02-1 PJ-34 0 95.18 Tocris 3255 PJ 34 hydrochloride 295.132 CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 UYJZZVDLGDDTCL-UHFFFAOYSA-N 4858 BRD-K11853856-001-01-7 PJ-34 0 86.26 Selleck S2886 PJ34 295.132 CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 UYJZZVDLGDDTCL-UHFFFAOYSA-N 4858 BRD-K11853856-001-02-5 PJ-34 0 94.69 Selleck S2886 PJ34 295.132 CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 UYJZZVDLGDDTCL-UHFFFAOYSA-N 4858 BRD-A41451487-001-12-0 PK-11195 0 98.74 Tocris 670 PK 11195 352.134 "CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl |&1:2,r|" RAVIZVQZGXBOQO-CQSZACIVSA-N 24839733 BRD-A41451487-001-11-2 PK-11195 0 98.79 Tocris 670 PK 11195 352.134 "CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl |&1:2,r|" RAVIZVQZGXBOQO-CQSZACIVSA-N 24839733 BRD-K04035716-011-01-9 PK-44 0 84.96 Tocris 4145 PK 44 phosphate 429.134 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1[nH]nc2c(F)c(F)ccc12 LIPWZZYFIVYJSI-MRVPVSSYSA-N 46208486 BRD-K04035716-011-02-9 PK-44 0 91.71 Tocris 4145 PK 44 phosphate 429.134 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1[nH]nc2c(F)c(F)ccc12 LIPWZZYFIVYJSI-MRVPVSSYSA-N 46208486 BRD-K44043890-001-01-4 PK-THPP 0 97.46 Tocris 5338 PK-THPP 468.253 CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1 CJZGRIRZVHNUSM-UHFFFAOYSA-N 53464059 BRD-K44043890-001-02-9 PK-THPP 0 96.99 Tocris 5338 PK-THPP 468.253 CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1 CJZGRIRZVHNUSM-UHFFFAOYSA-N 53464059 BRD-K10115470-001-01-8 PKI-166 0 90.82 Sigma SML1095 "4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenol" 330.148 C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccccc1 XRYJULCDUUATMC-CYBMUJFWSA-N 6918403 BRD-A28467416-002-01-0 PKI-179 0 97.35 EMDBio 526561-5MG "PI 3-K/mTOR Inhibitor III, PKI-179" 488.228 "O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1[C@H]2CC[C@@H]1COC2 |&1:29,&2:32|" WXUUCRLKXQMWRY-OYRHEFFESA-N 76958312 BRD-K27625831-001-02-9 pleconaril 0 91.31 MedChemEx HY-19952 Pleconaril 381.13 Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1 KQOXLKOJHVFTRN-UHFFFAOYSA-N 1684 BRD-K27625831-001-01-1 pleconaril 0 71.1 SantaCruz sc-391701 381.13 Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1 KQOXLKOJHVFTRN-UHFFFAOYSA-N 1684 BRD-K33240821-001-06-2 plerixafor 0 97.85 MedChemEx HY-10046 Plerixafor 502.447 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 YIQPUIGJQJDJOS-UHFFFAOYSA-N 65015 BRD-K33240821-001-03-9 plerixafor 0 0 Selleck S8030 Plerixafor (AMD3100) 502.447 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 YIQPUIGJQJDJOS-UHFFFAOYSA-N 65015 BRD-K33240821-400-02-5 plerixafor 0 87.3 MedChemEx HY-50912 Plerixafor (octahydrochloride) 502.447 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 YIQPUIGJQJDJOS-UHFFFAOYSA-N 65015 BRD-K33240821-001-05-4 plerixafor 0 0 Selleck S8030 Plerixafor 502.447 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 YIQPUIGJQJDJOS-UHFFFAOYSA-N 65015 BRD-K36368047-001-01-7 plicamycin 0 59.72 Enzo GR305 Plicamycin (Mithramycin A) 1084.473 CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O CFCUWKMKBJTWLW-BGLFSJPPSA-N 457831 BRD-K36368047-001-02-9 plicamycin 0 68.85 Sigma M6891 Mithramycin A Streptomyces plicatus 1084.473 CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O CFCUWKMKBJTWLW-BGLFSJPPSA-N 457831 BRD-K99498722-001-04-2 plinabulin 0 78.21 MedChemEx HY-14444 Plinabulin 336.159 CC(C)(C)c1nc[nH]c1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O UNRCMCRRFYFGFX-TYPNBTCFSA-N 9949641 BRD-K99498722-001-02-6 plinabulin 0 78.05 MedChemEx HY-14444 Plinabulin 336.159 CC(C)(C)c1nc[nH]c1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O UNRCMCRRFYFGFX-TYPNBTCFSA-N 9949641 BRD-K99498722-001-03-4 plinabulin 0 49.93 Adooq A10654 "(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylene]-2,5-piperazinedione" 336.159 CC(C)(C)c1nc[nH]c1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O UNRCMCRRFYFGFX-TYPNBTCFSA-N 9949641 BRD-A20781140-001-02-5 plovamer-acetate 0 98.02 Sigma MFCD00063074 tyrosine 181.074 "N[C@@H](Cc1ccc(O)cc1)C(O)=O |&1:1,r|" OUYCCCASQSFEME-QMMMGPOBSA-N 6942100 BRD-A20781140-001-01-7 plovamer-acetate 0 81.57 EMDBio 6570-100GM "L-Tyrosine, Free Base" 181.074 "N[C@@H](Cc1ccc(O)cc1)C(O)=O |&1:1,r|" OUYCCCASQSFEME-QMMMGPOBSA-N 6942100 BRD-K36137799-001-06-9 plumbagin 0 89.25 Sigma MFCD00001682 Plumbagin from Plumbago indica 188.047 CC1=CC(=O)c2c(O)cccc2C1=O |t:1| VCMMXZQDRFWYSE-UHFFFAOYSA-N 10205 BRD-K99149715-001-04-9 plurisin-1 0 88.21 Tocris 4847 PluriSln 1 213.09 O=C(NNc1ccccc1)c1ccncc1 HUDWXDLBWRHCKO-UHFFFAOYSA-N 225362 BRD-K99149715-001-03-2 plurisin-1 0 66.15 Tocris 4847 PluriSln 1 213.09 O=C(NNc1ccccc1)c1ccncc1 HUDWXDLBWRHCKO-UHFFFAOYSA-N 225362 BRD-K99149715-001-01-6 plurisin-1 0 75.03 Selleck S8076 PluriSIn #1 (NSC 14613) 213.09 O=C(NNc1ccccc1)c1ccncc1 HUDWXDLBWRHCKO-UHFFFAOYSA-N 225362 BRD-K99149715-001-02-4 plurisin-1 0 95.05 Selleck S8076 PluriSIn #1 (NSC 14613) 213.09 O=C(NNc1ccccc1)c1ccncc1 HUDWXDLBWRHCKO-UHFFFAOYSA-N 225362 BRD-K16478699-001-09-2 PLX4720 0 97.49 Selleck S1152 PLX-4720 413.041 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F YZDJQTHVDDOVHR-UHFFFAOYSA-N 24180719 BRD-K00003099-001-01-9 PLX51107 0 97.86 MedChemEx HY-111422 PLX51107 438.169 C[C@@H](c1ccccn1)n1cc(-c2ccc(cc2)C(O)=O)c2ncc(cc12)-c1c(C)noc1C AMSUHYUVOVCWTP-INIZCTEOSA-N 90448953 BRD-K79294107-300-02-9 PLX647 0 94.1 Tocris 5102 PLX 647 dihydrochloride 382.141 FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1 NODCQQSEMCESEC-UHFFFAOYSA-N 11545419 BRD-K79294107-300-01-6 PLX647 0 71.86 Tocris 5102 PLX 647 dihydrochloride 382.141 FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1 NODCQQSEMCESEC-UHFFFAOYSA-N 11545419 BRD-K53723268-001-01-3 PLX8394 0 96.23 MedChemEx HY-18972 PLX8394 542.135 F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F YYACLQUDUDXAPA-MRXNPFEDSA-N 90116675 BRD-A74387232-001-03-9 PMPA 1 84.1 Tocris 1380 PMPA (NAALADase inhibitor) 226.024 "OC(=O)CC[C@@H](CP(O)(O)=O)C(O)=O |&1:5,r|" ISEYJGQFXSTPMQ-BYPYZUCNSA-N 11031538 BRD-A74387232-001-02-5 PMPA 1 0 Tocris 1380 PMPA (NAALADase inhibitor) 226.024 "OC(=O)CC[C@@H](CP(O)(O)=O)C(O)=O |&1:5,r|" ISEYJGQFXSTPMQ-BYPYZUCNSA-N 11031538 BRD-K71731651-001-05-0 PNU-120596 0 97.96 Tocris 2498 PNU 120596 311.067 COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl CEIIEALEIHQDBX-UHFFFAOYSA-N 311434 BRD-K71731651-001-04-3 PNU-120596 0 98.45 Tocris 2498 PNU 120596 311.067 COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl CEIIEALEIHQDBX-UHFFFAOYSA-N 311434 BRD-K71731651-001-06-9 PNU-120596 0 97.93 Tocris 2498 PNU 120596 311.067 COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl CEIIEALEIHQDBX-UHFFFAOYSA-N 311434 BRD-K71731651-001-03-5 PNU-120596 0 97.55 Selleck S2629 PNU-120596 311.067 COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl CEIIEALEIHQDBX-UHFFFAOYSA-N 311434 BRD-K81616657-001-01-4 PNU-142633 0 97.37 Tocris 1985 "(1S)-1-(2-{4-[4-(aminocarbonyl)phenyl]-1-piperazinyl}ethyl)-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide" 422.232 CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1 PNTVCCRNJOGKGA-QFIPXVFZSA-N 9845148 BRD-K04635846-003-01-6 PNU-177864 0 92.27 Tocris 3355 PNU 177864 hydrochloride 402.122 CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 JGGQWSXZZQPZTR-UHFFFAOYSA-N 9887351 BRD-K04635846-003-02-9 PNU-177864 0 96.5 Tocris 3355 PNU 177864 hydrochloride 402.122 CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 JGGQWSXZZQPZTR-UHFFFAOYSA-N 9887351 BRD-K16551401-003-03-4 PNU-22394 0 87.68 Tocris 2201 PNU 22394 hydrochloride 200.131 Cn1c2CCNCCc2c2ccccc12 ZBXDOQWPGBISAR-UHFFFAOYSA-N 27559 BRD-K16551401-003-04-9 PNU-22394 0 86.25 Tocris 2201 PNU 22394 hydrochloride 200.131 Cn1c2CCNCCc2c2ccccc12 ZBXDOQWPGBISAR-UHFFFAOYSA-N 27559 BRD-K28863208-001-03-8 PNU-282987 0 87.67 Tocris 2303 PNU 282987 264.103 Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 WECKJONDRAUFDD-ZDUSSCGKSA-N 9795278 BRD-K28863208-001-02-0 PNU-282987 0 95.1 Tocris 2303 PNU 282987 264.103 Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 WECKJONDRAUFDD-ZDUSSCGKSA-N 9795278 BRD-K28863208-001-04-9 PNU-282987 0 91.25 Tocris 2303 PNU 282987 264.103 Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 WECKJONDRAUFDD-ZDUSSCGKSA-N 9795278 BRD-K06341478-003-02-9 PNU-37883 0 96.83 Tocris 2095 PNU 37883 hydrochloride 345.278 C1CCC(CC1)N=C(NC12CC3CC(CC(C3)C1)C2)N1CCOCC1 GKCGWXNLOYTUNC-UHFFFAOYSA-N 64393 BRD-K30707190-001-05-8 PNU-74654 0 96.85 Tocris 3534 PNU 74654 320.116 Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1 JJEDWBQZCRESJL-DEDYPNTBSA-N 9836739 BRD-K30707190-001-04-1 PNU-74654 0 91.24 Tocris 3534 PNU 74654 320.116 Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1 JJEDWBQZCRESJL-DEDYPNTBSA-N 9836739 BRD-K30707190-001-01-7 PNU-74654 0 96.25 Tocris 3534 PNU 74654 320.116 Cc1ccc(\C=N\NC(=O)c2ccccc2Oc2ccccc2)o1 JJEDWBQZCRESJL-DEDYPNTBSA-N 9836739 BRD-K84507776-003-01-4 PNU-89843 0 7.39 Tocris 2734 "6,7-dimethyl-2,4-di(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine hydrochloride" 285.195 Cc1cc2c(nc(nc2n1C)N1CCCC1)N1CCCC1 UADIKEUOAMACNA-UHFFFAOYSA-N 154689 BRD-K00003464-001-01-9 pocapavir 0 0 MedChemEx HY-104074 Pocapavir 422.024 COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 XXMDDBVNWRWNCW-UHFFFAOYSA-N 1455 BRD-K47869605-001-32-0 podophyllotoxin 0 94.65 MicroSource 2300332 PODOFILOX 414.131 COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 YJGVMLPVUAXIQN-XVVDYKMHSA-N 10607 BRD-K47869605-001-34-9 podophyllotoxin 0 95.6 MedChemEx HY-15552 Podofilox 414.131 COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 YJGVMLPVUAXIQN-XVVDYKMHSA-N 10607 BRD-K00003535-001-01-9 polaprezinc 0 0 MedChemEx HY-B0729 Polaprezinc 288.02 O=C1CCN[Zn]OC(=O)[C@H](Cc2cnc[nH]2)N1 VBHDYBCWTAXBNA-FJXQXJEOSA-M BRD-K35798650-001-01-4 polidocanol 0 97.44 Sigma MFCD00043375 "3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol" 582.434 CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO ONJQDTZCDSESIW-UHFFFAOYSA-N 656641 BRD-K43236057-001-07-1 polydatin 0 93.06 Selleck S2390 Polydatin(Piceid) 390.131 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O HSTZMXCBWJGKHG-CUYWLFDKSA-N 5281718 BRD-K43236057-001-09-7 polydatin 0 67.34 Selleck S2390 Polydatin 390.131 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O HSTZMXCBWJGKHG-CUYWLFDKSA-N 5281718 BRD-K94506759-001-01-9 BRD-A67531813-001-01-6 polyinosine 0 98.8 Sigma MFCD00066754 "(3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate" 348.047 "O[C@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@@H]1O)n1cnc2c1[nH]cnc2=O |&1:1,&2:2,&3:10,&4:11,r|" GRSZFWQUAKGDAV-SQQSDITASA-N 138454308 BRD-A08641215-065-05-5 polymyxin-B-sulfate 0 84.9 Selleck S1395 POLYMYXIN B SULFATE 1202.75 "CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O |&1:2,&2:11,&3:18,&4:19,&5:25,&6:32,&7:38,&8:42,&9:49,&10:56,&11:64,&12:75,&13:82|" WQVJHHACXVLGBL-XLCZGQJLSA-N BRD-A08641215-065-04-8 polymyxin-B-sulfate 0 59.7 MicroSource 1500492 POLYMYXIN B SULFATE 1202.75 "CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O |&1:2,&2:11,&3:18,&4:19,&5:25,&6:32,&7:38,&8:42,&9:49,&10:56,&11:64,&12:75,&13:82|" WQVJHHACXVLGBL-XLCZGQJLSA-N BRD-A15739803-001-01-0 polythiazide 0 98.56 Kemprotec 346-18-9 "6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide" 438.971 "CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O |&1:2,r|" CYLWJCABXYDINA-JTQLQIEISA-N 12876779 BRD-A12994259-001-02-1 pomalidomide 0 96.64 Selleck S1567 Pomalidomide 273.075 "Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12 |&1:9,r|" UVSMNLNDYGZFPF-QMMMGPOBSA-N 9965330 BRD-A12994259-001-04-7 pomalidomide 0 98.67 MedChemEx HY-10984 pomalidomide 273.075 "Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12 |&1:9,r|" UVSMNLNDYGZFPF-QMMMGPOBSA-N 9965330 BRD-A12994259-001-03-9 pomalidomide 0 NCI Pomalidomide 273.075 "Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12 |&1:9,r|" "InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1" 9965330 BRD-K44227013-001-08-0 ponatinib 0 96.33 Selleck S1490 Ponatinib (AP24534) 532.22 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 PHXJVRSECIGDHY-UHFFFAOYSA-N 24826799 BRD-K44227013-001-06-4 ponatinib 0 83.5 Selleck S1490 Ponatinib (AP24534) 532.22 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 PHXJVRSECIGDHY-UHFFFAOYSA-N 24826799 BRD-K44030614-001-01-6 ponesimod 0 95 MedChemEx HY-10569 Ponesimod 460.122 CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C LPAUOXUZGSBGDU-STDDISTJSA-N BRD-K06222852-001-05-7 posaconazole 0 94.29 Selleck S1257 Posaconazole 700.33 CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O RAGOYPUPXAKGKH-XAKZXMRKSA-N 468595 BRD-K06222852-001-03-2 posaconazole 0 81.58 Selleck S1257 Posaconazole 700.33 CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O RAGOYPUPXAKGKH-XAKZXMRKSA-N 468595 BRD-K46556543-001-01-4 potassium-canrenoate 0 93.28 MicroSource 1500828 "CANRENOIC ACID, POTASSIUM SALT" 358.214 "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC(O)=O |c:6,t:8|" PBKZPPIHUVSDNM-WNHSNXHDSA-N 656615 BRD-A29322418-237-04-0 BRD-K46556543-237-09-7 potassium-canrenoate 0 84.92 Selleck S4392 Potassium Canrenoate 358.214 "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC(O)=O |c:6,t:8|" PBKZPPIHUVSDNM-WNHSNXHDSA-N 656615 BRD-K46556543-237-11-9 potassium-canrenoate 0 95.3 Selleck S4392 358.214 "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC(O)=O |c:6,t:8|" PBKZPPIHUVSDNM-WNHSNXHDSA-N 656615 BRD-K46556543-237-10-5 potassium-canrenoate 0 98.01 Selleck S4392 Potassium Canrenoate 358.214 "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC(O)=O |c:6,t:8|" PBKZPPIHUVSDNM-WNHSNXHDSA-N 656615 BRD-M55321172-001-03-3 potassium-iodide 1 0 Selleck S1897 Potassium iodide 166.876 [K].I KIRAUJWBCMCUBY-UHFFFAOYSA-N BRD-M55321172-001-02-5 potassium-iodide 1 0 Selleck S1897 Potassium Iodide 166.876 [K].I KIRAUJWBCMCUBY-UHFFFAOYSA-N BRD-K58497451-001-11-9 potassium-p-aminobenzoate 0 99.19 MedChemEx HY-B1008 4-Aminobenzoic acid 137.048 Nc1ccc(cc1)C(O)=O ALYNCZNDIQEVRV-UHFFFAOYSA-N 978 BRD-K58497451-237-10-7 potassium-p-aminobenzoate 0 100 MicroSource 1500113 POTASSIUM p-AMINOBENZOATE 137.048 Nc1ccc(cc1)C(O)=O ALYNCZNDIQEVRV-UHFFFAOYSA-N 978 BRD-K79803033-300-01-3 pozanicline 0 98.79 Sigma SML1487 192.126 Cc1ncccc1OC[C@@H]1CCCN1 YRVIKLBSVVNSHF-JTQLQIEISA-N 178052 BRD-K50010139-001-02-3 poziotinib 0 99.66 Adooq A13044 "1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one" 490.097 COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C LPFWVDIFUFFKJU-UHFFFAOYSA-N 25127713 BRD-K50010139-001-01-5 poziotinib 0 98.73 Selleck S7358 Poziotinib (HM781-36B) 490.097 COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C LPFWVDIFUFFKJU-UHFFFAOYSA-N 25127713 BRD-K47598052-001-14-1 PP-1 0 97.73 Selleck S7060 PP1 281.164 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C ZVPDNRVYHLRXLX-UHFFFAOYSA-N 1400 BRD-K47598052-001-17-9 PP-1 0 94.71 Tocris 1397 PP 1 281.164 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C ZVPDNRVYHLRXLX-UHFFFAOYSA-N 1400 BRD-K47598052-001-15-8 PP-1 0 99.39 Tocris 1397 PP 1 281.164 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C ZVPDNRVYHLRXLX-UHFFFAOYSA-N 1400 BRD-K81801188-001-02-8 PP-121 0 94.91 Selleck S2622 PP121 319.155 Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 NVRXTLZYXZNATH-UHFFFAOYSA-N 24905142 BRD-K81801188-001-05-1 PP-121 0 97.69 Tocris 3894 PP 121 319.155 Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 NVRXTLZYXZNATH-UHFFFAOYSA-N 24905142 BRD-K81801188-001-06-9 PP-121 0 96.79 Tocris 3894 PP 121 319.155 Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 NVRXTLZYXZNATH-UHFFFAOYSA-N 24905142 BRD-K95785537-001-22-3 PP-2 0 97.04 Selleck S7008 PP2 301.109 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 PBBRWFOVCUAONR-UHFFFAOYSA-N 4878 BRD-K95785537-001-26-9 PP-2 0 97.4 Tocris 1407 PP 2 301.109 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 PBBRWFOVCUAONR-UHFFFAOYSA-N 4878 BRD-K95785537-001-24-9 PP-2 0 93.64 Tocris 1407 PP 2 301.109 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 PBBRWFOVCUAONR-UHFFFAOYSA-N 4878 BRD-K95785537-001-23-1 PP-2 0 99.23 Tocris 1407 PP 2 301.109 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 PBBRWFOVCUAONR-UHFFFAOYSA-N 4878 BRD-K87112191-001-04-5 PP242 0 80.36 Selleck S2218 PP242 308.139 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 MFAQYJIYDMLAIM-UHFFFAOYSA-N 135565635 BRD-K87112191-001-06-0 PP242 0 89.25 Tocris 4257 PP 242 308.139 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 MFAQYJIYDMLAIM-UHFFFAOYSA-N 135565635 BRD-K87112191-001-05-2 PP242 0 76.23 Selleck S2218 Torkinib (PP242) 308.139 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 MFAQYJIYDMLAIM-UHFFFAOYSA-N 135565635 BRD-K00312224-001-10-3 PPT 0 97.57 Tocris 1426 PPT 386.163 CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 IOTXSIGGFRQYKW-UHFFFAOYSA-N 5040063 BRD-K00312224-001-11-9 PPT 0 97.84 Tocris 1426 PPT 386.163 CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 IOTXSIGGFRQYKW-UHFFFAOYSA-N 5040063 BRD-K00312224-001-09-5 PPT 0 94.6 Tocris 1426 PPT 386.163 CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 IOTXSIGGFRQYKW-UHFFFAOYSA-N 5040063 BRD-K72514671-001-02-9 PPY-A 0 97.34 Tocris 4730 PPY A 372.159 COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cncc(c1)C(=O)N(C)C GYQRHHQPEMOLKH-UHFFFAOYSA-N 16750094 BRD-K72514671-001-01-4 PPY-A 0 99.07 Tocris 4730 PPY A 372.159 COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cncc(c1)C(=O)N(C)C GYQRHHQPEMOLKH-UHFFFAOYSA-N 16750094 BRD-K67537649-001-03-7 PQ-401 0 95.59 Selleck S8003 PQ 401 341.093 COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 YBLWOZUPHDKFOT-UHFFFAOYSA-N 9549305 BRD-K67537649-001-04-5 PQ-401 0 97.12 Tocris 2768 PQ 401 341.093 COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 YBLWOZUPHDKFOT-UHFFFAOYSA-N 9549305 BRD-K67537649-001-06-9 PQ-401 0 96.8 Tocris 2768 PQ 401 341.093 COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 YBLWOZUPHDKFOT-UHFFFAOYSA-N 9549305 BRD-K67537649-001-05-2 PQ-401 0 93.94 Tocris 2768 PQ 401 341.093 COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12 YBLWOZUPHDKFOT-UHFFFAOYSA-N 9549305 BRD-K54395039-001-03-9 PR-619 0 95.84 Tocris 4482 PR 619 222.999 Nc1nc(N)c(SC#N)cc1SC#N ZXOBLNBVNROVLC-UHFFFAOYSA-N 2817763 BRD-K54395039-001-01-7 PR-619 0 82.97 Selleck S7130 PR-619 222.999 Nc1nc(N)c(SC#N)cc1SC#N ZXOBLNBVNROVLC-UHFFFAOYSA-N 2817763 BRD-K54395039-001-02-5 PR-619 0 93 Selleck S7130 PR-619 222.999 Nc1nc(N)c(SC#N)cc1SC#N ZXOBLNBVNROVLC-UHFFFAOYSA-N 2817763 BRD-A41304429-001-17-1 practolol 0 87.63 Sigma SML1462 N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide 266.163 "CC(C)NC[C@@H](O)COc1ccc(NC(C)=O)cc1 |&1:5,r|" DURULFYMVIFBIR-CYBMUJFWSA-N 6918924 BRD-A41304429-001-14-8 practolol 0 75.52 Prestwick Prestw-332 Practolol 266.163 "CC(C)NC[C@@H](O)COc1ccc(NC(C)=O)cc1 |&1:5,r|" DURULFYMVIFBIR-CYBMUJFWSA-N 6918924 BRD-K00003119-066-01-9 pradefovir 0 97.65 MedChemEx HY-112690A Pradefovir mesylate 423.086 Nc1ncnc2n(CCOC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cnc12 GWNHAOBXDGOXRR-HJFSHJIFSA-N 9604654 BRD-A74914197-001-02-9 pralatrexate 0 94.33 Selleck S1497 Pralatrexate 477.176 "Nc1nc(N)c2nc(C[C@@H](CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |a:22,&1:9|" OGSBUKJUDHAQEA-ZBFHGGJFSA-N 11155808 BRD-A74914197-001-01-1 pralatrexate 0 94.49 Selleck S1497 Pralatrexate(Folotyn) 477.176 "Nc1nc(N)c2nc(C[C@@H](CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |a:22,&1:9|" "InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14-,16+/m1/s1" 11155808 BRD-K84281997-003-09-2 pralidoxime 0 58.19 MicroSource 1505449 PRALIDOXIME CHLORIDE 137.071 C[n+]1ccccc1\C=N\O JBKPUQTUERUYQE-UHFFFAOYSA-O 4884 BRD-K61327230-003-13-9 BRD-K84281997-066-03-2 pralidoxime 0 46.67 MicroSource 1502043 PRALIDOXIME MESYLATE 137.071 C[n+]1ccccc1\C=N\O JBKPUQTUERUYQE-UHFFFAOYSA-O 4884 BRD-K84281997-003-08-4 pralidoxime 0 96.7 MedChemEx HY-B1200 Pralidoxime (chloride) 137.071 C[n+]1ccccc1\C=N\O JBKPUQTUERUYQE-UHFFFAOYSA-O 4884 BRD-K24221957-003-01-6 pralidoxime-chloride 0 97.1 Sigma MFCD00011981 2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium chloride 137.071 C[n+]1ccccc1CN=O MHOAUIZFSQGCNM-UHFFFAOYSA-N 54072659 BRD-K00004629-001-01-9 pralmorelin 0 91.62 Sigma SML2056 "(2S,5R,8S,11S,14R,17R)-17-amino-2-(4-aminobutyl)-5-benzyl-8-(1H-indol-3-ylmethyl)-11-methyl-14-(2-naphthylmethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-amide" 817.428 C[C@@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O HRNLPPBUBKMZMT-RDRUQFPZSA-N 6918245 BRD-K06388322-300-01-3 pramipexole 0 43.51 Tocris 4174 Pramipexole dihydrochloride 211.114 CCCN[C@H]1CCc2nc(N)sc2C1 FASDKYOPVNHBLU-ZETCQYMHSA-N 119570 BRD-K06388322-300-10-9 pramipexole 0 100 Tocris 4174 Pramipexole dihydrochloride 211.114 CCCN[C@H]1CCc2nc(N)sc2C1 FASDKYOPVNHBLU-ZETCQYMHSA-N 119570 BRD-K06388322-001-07-4 pramipexole 0 97.04 Selleck S2460 Pramipexole 211.114 CCCN[C@H]1CCc2nc(N)sc2C1 FASDKYOPVNHBLU-ZETCQYMHSA-N 119570 BRD-K06388322-312-02-6 pramipexole 0 100 Selleck S2011 Pramipexole dihydrochloride monohydrate 211.114 CCCN[C@H]1CCc2nc(N)sc2C1 FASDKYOPVNHBLU-ZETCQYMHSA-N 119570 BRD-K21123171-001-02-9 pramiracetam 0 91.48 Selleck S2594 Pramiracetam 269.21 CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C ZULJGOSFKWFVRX-UHFFFAOYSA-N 51712 BRD-K21123171-001-03-9 pramiracetam 0 93.06 MedChemEx HY-17455 Pramiracetam 269.21 CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C ZULJGOSFKWFVRX-UHFFFAOYSA-N 51712 BRD-K46523383-003-23-9 pramoxine 0 95.7 MedChemEx HY-B1319 Pramocaine (hydrochloride) 293.199 CCCCOc1ccc(OCCCN2CCOCC2)cc1 DQKXQSGTHWVTAD-UHFFFAOYSA-N 4886 BRD-K46523383-003-21-1 pramoxine 0 95.61 Selleck S4092 Pramoxine HCl 293.199 CCCCOc1ccc(OCCCN2CCOCC2)cc1 DQKXQSGTHWVTAD-UHFFFAOYSA-N 4886 BRD-K46523383-003-22-9 pramoxine 0 95.87 MicroSource 1501139 PRAMOXINE HYDROCHLORIDE 293.199 CCCCOc1ccc(OCCCN2CCOCC2)cc1 DQKXQSGTHWVTAD-UHFFFAOYSA-N 4886 BRD-A68083442-001-01-6 pranidipine 0 98.76 AKSci R730 448.163 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |r,c:4,9|" XTFPDGZNWTZCMF-OXHGWOFKSA-N 29986494 BRD-K97045029-001-02-7 pranlukast 0 99.8 MedChemEx HY-B0290 Pranlukast 481.175 O=C(Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 NBQKINXMPLXUET-UHFFFAOYSA-N 4887 BRD-K97045029-001-07-9 pranlukast 0 97.04 Tocris 3026 ONO 1078 481.175 O=C(Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 NBQKINXMPLXUET-UHFFFAOYSA-N 4887 BRD-K97045029-001-04-3 pranlukast 0 98.89 Selleck S1829 Pranlukast 481.175 O=C(Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 NBQKINXMPLXUET-UHFFFAOYSA-N 4887 BRD-K91497079-001-03-3|BRD-U02566398-000-01-1|BRD-K91497079-001-02-5 BRD-A64610707-001-04-4 pranoprofen 0 94.28 MicroSource 1502324 PRANOPROFEN 255.09 "C[C@@H](C(O)=O)c1ccc2Oc3ncccc3Cc2c1 |&1:1,r|" TVQZAMVBTVNYLA-SECBINFHSA-N 40467222 BRD-A64610707-001-03-6 pranoprofen 0 67.79 Selleck S1960 Pranoprofen 255.09 "C[C@@H](C(O)=O)c1ccc2Oc3ncccc3Cc2c1 |&1:1,r|" TVQZAMVBTVNYLA-SECBINFHSA-N 40467222 BRD-A64610707-001-07-9 pranoprofen 0 94.15 MedChemEx HY-B0336 Pranoprofen 255.09 "C[C@@H](C(O)=O)c1ccc2Oc3ncccc3Cc2c1 |&1:1,r|" TVQZAMVBTVNYLA-SECBINFHSA-N 40467222 BRD-A64610707-001-05-1 pranoprofen 0 98.99 Selleck S1960 Pranoprofen 255.09 "C[C@@H](C(O)=O)c1ccc2Oc3ncccc3Cc2c1 |&1:1,r|" TVQZAMVBTVNYLA-SECBINFHSA-N 40467222 BRD-K96527333-001-09-9 prasterone-acetate 0 80.86 MedChemEx HY-B1405 Dehydroisoandrosterone 3-acetate 330.219 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 |c:23| NCMZQTLCXHGLOK-ZKHIMWLXSA-N 14709 BRD-A83029242-001-08-7 prasugrel 0 77.49 MedChemEx HY-15284 Prasugrel 373.115 "CC(=O)Oc1cc2CN(CCc2s1)[C@@H](C(=O)C1CC1)c1ccccc1F |&1:13,r|" DTGLZDAWLRGWQN-LJQANCHMSA-N 51698431 BRD-A83029242-001-06-1 prasugrel 0 62.51 Selleck S1258 Prasugrel (Effient) 373.115 "CC(=O)Oc1cc2CN(CCc2s1)[C@@H](C(=O)C1CC1)c1ccccc1F |&1:13,r|" DTGLZDAWLRGWQN-LJQANCHMSA-N 51698431 BRD-A83029242-001-05-3 prasugrel 0 83.3 Selleck S1258 Prasugrel 373.115 "CC(=O)Oc1cc2CN(CCc2s1)[C@@H](C(=O)C1CC1)c1ccccc1F |&1:13,r|" DTGLZDAWLRGWQN-LJQANCHMSA-N 51698431 BRD-A83029242-001-07-9 prasugrel 0 0 MedChemEx HY-15284 Prasugrel 373.115 "CC(=O)Oc1cc2CN(CCc2s1)[C@@H](C(=O)C1CC1)c1ccccc1F |&1:13,r|" DTGLZDAWLRGWQN-LJQANCHMSA-N 51698431 BRD-K46209126-001-06-4 pravadoline 0 99.34 Cayman 10006973 (4-methoxyphenyl){2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}methanone 378.194 COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 MEUQWHZOUDZXHH-UHFFFAOYSA-N 56463 BRD-K60511616-236-07-1 pravastatin 0 83.54 Tocris 2318 Pravastatin sodium salt 424.246 "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|" TUZYXOIXSAXUGO-PZAWKZKUSA-N 54687 BRD-K60511616-236-06-3 pravastatin 0 93.62 Tocris 2318 Pravastatin sodium salt 424.246 "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|" TUZYXOIXSAXUGO-PZAWKZKUSA-N 54687 BRD-K60511616-236-09-9 pravastatin 0 86.41 Tocris 2318 Pravastatin sodium salt 424.246 "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|" TUZYXOIXSAXUGO-PZAWKZKUSA-N 54687 BRD-K60511616-236-08-9 pravastatin 0 95.56 Selleck S3036 Pravastatin sodium 424.246 "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|" TUZYXOIXSAXUGO-PZAWKZKUSA-N 54687 BRD-K31447894-236-01-0 BRD-A21858158-001-22-7 praziquantel 0 97.63 Selleck S1691 Praziquantel 312.184 "O=C(C1CCCCC1)N1C[C@H]2N(CCc3ccccc23)C(=O)C1 |&1:10,r|" FSVJFNAIGNNGKK-QGZVFWFLSA-N 1917817 BRD-A21858158-001-23-5 praziquantel 0 99.62 MicroSource 1500494 PRAZIQUANTEL 312.184 "O=C(C1CCCCC1)N1C[C@H]2N(CCc3ccccc23)C(=O)C1 |&1:10,r|" FSVJFNAIGNNGKK-QGZVFWFLSA-N 1917817 BRD-K49111258-003-30-5 prazosin 0 97.05 Tocris 623 Prazosin hydrochloride 383.159 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 IENZQIKPVFGBNW-UHFFFAOYSA-N 4893 BRD-K49111258-003-29-7 prazosin 0 98.79 MicroSource 1500495 PRAZOSIN HYDROCHLORIDE 383.159 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 IENZQIKPVFGBNW-UHFFFAOYSA-N 4893 BRD-K49111258-003-27-1 prazosin 0 95.26 Selleck S1424 Prazosin HCl 383.159 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 IENZQIKPVFGBNW-UHFFFAOYSA-N 4893 BRD-K49111258-003-28-9 prazosin 0 97.41 Tocris 623 Prazosin hydrochloride 383.159 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 IENZQIKPVFGBNW-UHFFFAOYSA-N 4893 BRD-K57304726-003-07-7 PRE-084 0 93.29 Tocris 589 PRE-084 hydrochloride 317.199 O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1 RQHKZUBCUZVZEF-UHFFFAOYSA-N 126402 BRD-K57304726-003-08-9 PRE-084 0 95.86 Tocris 589 PRE-084 hydrochloride 317.199 O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1 RQHKZUBCUZVZEF-UHFFFAOYSA-N 126402 BRD-K57304726-003-06-9 PRE-084 0 97.96 Tocris 589 PRE-084 hydrochloride 317.199 O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1 RQHKZUBCUZVZEF-UHFFFAOYSA-N 126402 BRD-K02908048-003-06-4 preclamol 0 91.07 SantaCruz sc-253355 219.162 CCCN1CCC[C@@H](C1)c1cccc(O)c1 HTSNFXAICLXZMA-ZDUSSCGKSA-N 202478 BRD-A93963402-001-01-6 prednicarbate 0 0 MicroSource 1503876 PREDNICARBATE 488.241 "CCOC(=O)O[C@@]1(CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC |a:6,19,22,25,&1:9,&2:10,&3:21,c:17,t:13|" FNPXMHRZILFCKX-HGVFMWMISA-N BRD-A27887842-001-04-0 prednisolone 0 96.97 MicroSource 1500496 PREDNISOLONE 360.194 "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |a:1,3,15,20,&1:5,&2:6,&3:17,c:13,t:9|" OIGNJSKKLXVSLS-VWUMJDOOSA-N 5755 BRD-A27887842-001-05-7 prednisolone 0 90.25 Selleck S1737 Prednisolone 360.194 "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |a:1,3,15,20,&1:5,&2:6,&3:17,c:13,t:9|" OIGNJSKKLXVSLS-VWUMJDOOSA-N 5755 BRD-K00645576-001-01-9 BRD-K45664306-001-19-6 prednisolone-acetate 0 93.2 Selleck S2570 Prednisolone acetate (Omnipred) 402.204 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |c:19,t:15|" LRJOMUJRLNCICJ-JZYPGELDSA-N 5834 BRD-A01643550-001-04-9 prednisolone-acetate 0 91.18 MicroSource 1500497 PREDNISOLONE ACETATE 402.204 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3[C@@H](O)C[C@]12C |a:7,24,27,&1:11,&2:12,&3:21,&4:23,c:19,t:15|" LRJOMUJRLNCICJ-WXLIAARGSA-N 11865455 BRD-K45664306-001-20-4 prednisolone-acetate 0 86.79 Selleck S2570 Prednisolone acetate (Omnipred) 402.204 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |c:19,t:15|" LRJOMUJRLNCICJ-JZYPGELDSA-N 5834 BRD-K87234558-001-01-0 BRD-K45664306-001-21-9 prednisolone-acetate 0 97.37 MedChemEx HY-B1214 Prednisolone (21-acetate) 402.204 "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |c:19,t:15|" LRJOMUJRLNCICJ-JZYPGELDSA-N 5834 BRD-A78391468-001-02-8 prednisolone-hemisuccinate 0 95.56 MicroSource 1505450 PREDNISOLONE HEMISUCCINATE 460.21 "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O |a:1,3,15,20,&1:5,&2:6,&3:17,c:13,t:9|" APGDTXUMTIZLCJ-CGVGKPPMSA-N 656804 BRD-K00003654-304-01-9 prednisolone-sodium-phosphate 0 87.18 MedChemEx HY-B0645 Prednisolone (disodium phosphate) 440.16 "[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:31,t:27|" JDOZJEUDSLGTLU-VWUMJDOOSA-N 72078 BRD-A53151380-001-01-2 prednisolone-tebutate 0 96.64 MicroSource 1505451 PREDNISOLONE TEBUTATE 458.267 "CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C |a:11,25,28,31,&1:15,&2:16,&3:27,c:23,t:19|" HUMXXHTVHHLNRO-HGVFMWMISA-N BRD-K85883481-001-26-9 prednisone 0 90.99 MedChemEx HY-B0214 Prednisone 358.178 "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |c:13,t:9|" XOFYZVNMUHMLCC-ZPOLXVRWSA-N 5865 BRD-K85883481-001-22-4 prednisone 0 0 Selleck S1622 Prednisone (Adasone) 358.178 "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |c:13,t:9|" XOFYZVNMUHMLCC-ZPOLXVRWSA-N 5865 BRD-K85883481-001-25-7 prednisone 0 95.73 MicroSource 1500499 PREDNISONE 358.178 "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |c:13,t:9|" XOFYZVNMUHMLCC-ZPOLXVRWSA-N 5865 BRD-A62525898-001-05-2 BRD-K85883481-001-24-0 prednisone 0 0 Selleck S1622 Prednisone 358.178 "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |c:13,t:9|" XOFYZVNMUHMLCC-ZPOLXVRWSA-N 5865 BRD-K60679745-001-01-1 BRD-K43880410-001-16-9 pregnenolone 0 88.29 MedChemEx HY-B0151 Pregnenolone 316.24 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9| ORNBQBCIOKFOEO-QGVNFLHTSA-N 8955 BRD-K43880410-001-15-1 pregnenolone 0 87.8 MicroSource 1500645 PREGNENOLONE 316.24 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9| ORNBQBCIOKFOEO-QGVNFLHTSA-N 8955 BRD-A35054627-001-09-7 BRD-K43880410-001-14-4 pregnenolone 0 98.34 Selleck S1914 Pregnenolone 316.24 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9| ORNBQBCIOKFOEO-QGVNFLHTSA-N 8955 BRD-K52183142-001-01-3 BRD-A35912562-001-02-8 pregnenolone-succinate 0 99.33 MicroSource 1505713 PREGNENOLONE SUCCINATE 416.256 "CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)OC(=O)CCC(O)=O |a:3,12,15,20,&1:6,&2:7,&3:17,t:9|" OZZAYJQNMKMUSD-VQLNUFJUSA-N BRD-K46290096-001-02-9 preladenant 0 94.76 MedChemEx HY-10889 Preladenant 503.239 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 DTYWJKSSUANMHD-UHFFFAOYSA-N 10117987 BRD-K46290096-001-01-1 preladenant 0 94.31 MedChemEx HY-10889 Preladenant 503.239 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 DTYWJKSSUANMHD-UHFFFAOYSA-N 10117987 BRD-A10662413-043-11-2 prenylamine 0 98.19 Prestwick Prestw-560 Prenylamine lactate 329.214 C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 |&2:1| IFFPICMESYHZPQ-FQEVSTJZSA-N 181757 BRD-K45906612-001-01-8 presatovir 0 95.26 MedChemEx HY-16727 Presatovir 531.182 Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O GOFXWTVKPWJNGD-UWJYYQICSA-N 58029842 BRD-K96671969-001-05-9 pretomanid 0 96.03 MedChemEx HY-10844 Pretomanid 359.073 [O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1 ZLHZLMOSPGACSZ-NSHDSACASA-N 456199 BRD-K96671969-001-03-1 pretomanid 0 96.87 Selleck S1162 PA-824 359.073 [O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1 ZLHZLMOSPGACSZ-NSHDSACASA-N 456199 BRD-K17565903-066-22-3 pridinol 0 96.44 Selleck S4371 Pridinol Methanesulfonate 295.194 OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 RQXCLMGKHJWMOA-UHFFFAOYSA-N 4904 BRD-K17565903-066-23-1 pridinol 0 98.23 MicroSource 1503077 PRIDINOL METHANESULFONATE 295.194 OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 RQXCLMGKHJWMOA-UHFFFAOYSA-N 4904 BRD-K17565903-066-24-9 pridinol 0 96 Selleck S4371 PRIDINOL METHANESULFONATE 295.194 OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 RQXCLMGKHJWMOA-UHFFFAOYSA-N 4904 BRD-K00003473-001-01-9 pridopidine 0 94.48 MedChemEx HY-10684 Pridopidine 281.145 CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O YGKUEOZJFIXDGI-UHFFFAOYSA-N 9795739 BRD-K01825595-001-03-9 prilocaine 0 82.01 MedChemEx HY-B0137 Prilocaine 220.158 "CCCN[C@@H](C)C(=O)Nc1ccccc1C |&1:4,r|" MVFGUOIZUNYYSO-NSHDSACASA-N 6603976 BRD-K01825595-001-02-9 prilocaine 0 91.74 Selleck S1619 Prilocaine 220.158 "CCCN[C@@H](C)C(=O)Nc1ccccc1C |&1:4,r|" MVFGUOIZUNYYSO-NSHDSACASA-N 6603976 BRD-K15318909-001-12-1 PRIMA1 0 100 Tocris 1862 "2,2-bis(hydroxymethyl)quinuclidin-3-one" 185.105 OCC1(CO)N2CCC(CC2)C1=O RFBVBRVVOPAAFS-UHFFFAOYSA-N 322968 BRD-K15318909-001-10-5 PRIMA1 0 81.98 Tocris 1862 PRIMA-1 185.105 OCC1(CO)N2CCC(CC2)C1=O RFBVBRVVOPAAFS-UHFFFAOYSA-N 322968 BRD-K00003556-316-01-9 primaquine 0 81.19 MedChemEx HY-12651 Primaquine (Diphosphate) 259.168 COc1cc(N[C@@H](C)CCCN)c2ncccc2c1 |r| INDBQLZJXZLFIT-NSHDSACASA-N 3044369 BRD-K32247306-001-27-8 primidone 0 95.99 Selleck S1965 Primidone 218.106 CCC1(C(=O)NCNC1=O)c1ccccc1 DQMZLTXERSFNPB-UHFFFAOYSA-N 4909 BRD-K32247306-001-30-9 primidone 0 86.25 Tocris 830 Primidone 218.106 CCC1(C(=O)NCNC1=O)c1ccccc1 DQMZLTXERSFNPB-UHFFFAOYSA-N 4909 BRD-K32247306-001-28-6 primidone 0 97.54 Tocris 830 Primidone 218.106 CCC1(C(=O)NCNC1=O)c1ccccc1 DQMZLTXERSFNPB-UHFFFAOYSA-N 4909 BRD-K32247306-001-29-4 primidone 0 99.02 MicroSource 1500501 PRIMIDONE 218.106 CCC1(C(=O)NCNC1=O)c1ccccc1 DQMZLTXERSFNPB-UHFFFAOYSA-N 4909 BRD-K87316765-001-01-4 prinaberel 0 94.73 MedChemEx HY-14933 Prinaberel 271.064 Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 MQIMZDXIAHJKQP-UHFFFAOYSA-N 656954 BRD-K00003122-001-01-9 prinomastat 0 91.29 MedChemEx HY-12170 Prinomastat 423.092 CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 YKPYIPVDTNNYCN-INIZCTEOSA-N 466151 BRD-K01662324-066-01-1 priralfinamide 0 93.13 Tocris 4029 Ralfinamide mesylate 302.143 C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O BHJIBOFHEFDSAU-LBPRGKRZSA-N 5745207 BRD-K01662324-001-01-8 priralfinamide 0 98.67 AMS A002801679 (2S)-2-({4-[(2-fluorobenzyl)oxy]benzyl}amino)propanamide 302.143 C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O BHJIBOFHEFDSAU-LBPRGKRZSA-N 5745207 BRD-K00004547-001-01-9 prisotinol 0 95.47 Sigma MFCD00867783 6-[2-(isopropylamino)propyl]-3-pyridinol 194.142 "CC(C)N[C@H](C)Cc1ccc(O)cn1 |&1:4,r|" WQRPBKUCJBWQRT-SECBINFHSA-N 76965811 BRD-K25204779-001-01-1 pritelivir 0 98.06 MedChemEx HY-15303 BAY 57-1293 402.082 CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O IVZKZONQVYTCKC-UHFFFAOYSA-N 491941 BRD-K25204779-001-02-9 pritelivir 0 96.24 MedChemEx HY-15303 Pritelivir 402.082 CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O IVZKZONQVYTCKC-UHFFFAOYSA-N 491941 BRD-K00004604-001-01-9 PRLX-93936 0 92.91 Key GS-9006 3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone 364.19 CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O OBWOSMGNXYUDFB-UHFFFAOYSA-N 11559627 BRD-K00004599-001-01-9 PRN1008 0 93.58 MedChemEx HY-112166 PRN1008 665.324 CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1 LCFFREMLXLZNHE-GBOLQPHISA-N 73388818 BRD-K00003430-001-01-9 PRN1371 0 96.05 MedChemEx HY-101768 PRN1371 560.171 CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 PUIXMSRTTHLNKI-UHFFFAOYSA-N 118295624 BRD-K53605365-001-01-4 proacipimox 0 97.66 Enamine Z2306534452 5-(methoxymethyl)-2-methylpyrazine 1-oxide 154.074 COCc1c[n+]([O-])c(C)cn1 KKKHJYGCTVKQEM-UHFFFAOYSA-N 3068148 BRD-K46317332-003-16-0 proadifen 0 89.96 Selleck S4381 Proadifen HCl 353.235 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 SNTQPLDRUZOSDP-UHFFFAOYSA-N 4910 BRD-K46317332-003-17-8 proadifen 0 92.91 MicroSource 1502084 PROADIFEN HYDROCHLORIDE 353.235 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 SNTQPLDRUZOSDP-UHFFFAOYSA-N 4910 BRD-K46317332-003-18-6 proadifen 0 93.97 Selleck S4381 proadifen hydrochloride 353.235 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 SNTQPLDRUZOSDP-UHFFFAOYSA-N 4910 BRD-K95237249-001-27-3 probenecid 0 88 Tocris 4107 Probenecid 285.103 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O DBABZHXKTCFAPX-UHFFFAOYSA-N 4911 BRD-K95237249-001-26-5 probenecid 0 98.66 MicroSource 1500502 PROBENECID 285.103 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O DBABZHXKTCFAPX-UHFFFAOYSA-N 4911 BRD-K95237249-001-28-9 probenecid 0 91.53 Tocris 4107 Probenecid 285.103 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O DBABZHXKTCFAPX-UHFFFAOYSA-N 4911 BRD-K95237249-001-25-7 probenecid 0 95.89 Selleck S4022 Probenecid 285.103 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O DBABZHXKTCFAPX-UHFFFAOYSA-N 4911 BRD-K72029282-001-23-8 probucol 0 88.71 MicroSource 1501109 PROBUCOL 516.31 CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C FYPMFJGVHOHGLL-UHFFFAOYSA-N 4912 BRD-K72029282-001-25-9 probucol 0 0 Tocris 2775 Probucol 516.31 CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C FYPMFJGVHOHGLL-UHFFFAOYSA-N 4912 BRD-K72029282-001-22-0 probucol 0 93.74 Selleck S2119 Probucol 516.31 CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C FYPMFJGVHOHGLL-UHFFFAOYSA-N 4912 BRD-K75089421-003-26-9 procainamide 0 96.86 MedChemEx HY-A0084 Procainamide (hydrochloride) 235.168 CCN(CC)CCNC(=O)c1ccc(N)cc1 REQCZEXYDRLIBE-UHFFFAOYSA-N 4913 BRD-K75089421-003-24-5 procainamide 0 97.98 MicroSource 1500503 PROCAINAMIDE HYDROCHLORIDE 235.168 CCN(CC)CCNC(=O)c1ccc(N)cc1 REQCZEXYDRLIBE-UHFFFAOYSA-N 4913 BRD-K24616672-003-20-1 procaine 0 99.21 MicroSource 1500504 PROCAINE HYDROCHLORIDE 236.152 CCN(CC)CCOC(=O)c1ccc(N)cc1 MFDFERRIHVXMIY-UHFFFAOYSA-N 4914 BRD-K24616672-003-19-3 procaine 0 95.04 Selleck S4023 Procaine HCl 236.152 CCN(CC)CCOC(=O)c1ccc(N)cc1 MFDFERRIHVXMIY-UHFFFAOYSA-N 4914 BRD-K13032584-001-01-5 procarbazine 0 36.14 MicroSource 1502326 PROCARBAZINE HYDROCHLORIDE 221.153 CNNCc1ccc(cc1)C(=O)NC(C)C CPTBDICYNRMXFX-UHFFFAOYSA-N 4915 BRD-K13032584-003-19-3 procarbazine 0 47.77 Selleck S1995 Procarbazine hydrochloride (Matulane) 221.153 CNNCc1ccc(cc1)C(=O)NC(C)C CPTBDICYNRMXFX-UHFFFAOYSA-N 4915 BRD-K13032584-003-18-5 procarbazine 0 24.7 Selleck S1995 Procarbazine HCl (Matulane) 221.153 CNNCc1ccc(cc1)C(=O)NC(C)C CPTBDICYNRMXFX-UHFFFAOYSA-N 4915 BRD-K13032584-003-21-9 procarbazine 0 0 MedChemEx HY-13733 Procarbazine (Hydrochloride) 221.153 CNNCc1ccc(cc1)C(=O)NC(C)C CPTBDICYNRMXFX-UHFFFAOYSA-N 4915 BRD-K78666826-003-02-4 procaterol 0 47.03 Tocris 1102 Procaterol hydrochloride 290.163 CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 FKNXQNWAXFXVNW-BLLLJJGKSA-N 688561 BRD-K78666826-003-03-9 procaterol 0 97.34 Tocris 1102 Procaterol hydrochloride 290.163 CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 FKNXQNWAXFXVNW-BLLLJJGKSA-N 688561 BRD-K78666826-003-01-6 procaterol 0 96.33 Tocris 1102 Procaterol hydrochloride 290.163 CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 FKNXQNWAXFXVNW-BLLLJJGKSA-N 688561 BRD-K19352500-332-09-4 prochlorperazine 0 90.92 Tocris 3287 Prochlorperazine dimaleate 373.138 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 WIKYUJGCLQQFNW-UHFFFAOYSA-N 4917 BRD-K19352500-332-07-8 prochlorperazine 0 87.05 Selleck S4407 Prochlorperazine Dimaleate 373.138 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 WIKYUJGCLQQFNW-UHFFFAOYSA-N 4917 BRD-K19352500-070-12-4 prochlorperazine 0 89 MicroSource 1500505 PROCHLORPERAZINE EDISYLATE 373.138 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 WIKYUJGCLQQFNW-UHFFFAOYSA-N 4917 BRD-K19352500-332-08-6 prochlorperazine 0 93 Selleck S4407 prochlorperazine dimaleate 373.138 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 WIKYUJGCLQQFNW-UHFFFAOYSA-N 4917 BRD-K54824716-001-04-0 procodazole 0 98.53 MicroSource 1506175 PROCODAZOLE 190.074 OC(=O)CCc1nc2ccccc2[nH]1 XYWJNTOURDMTPI-UHFFFAOYSA-N 65708 BRD-K54824716-001-03-2 procodazole 0 97.25 Selleck S4408 Procodazole 190.074 OC(=O)CCc1nc2ccccc2[nH]1 XYWJNTOURDMTPI-UHFFFAOYSA-N 65708 BRD-K72093555-001-03-9 procyanidin-B-2 0 81.11 MedChemEx HY-N0795 Procyanidin B1 578.142 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 XFZJEEAOWLFHDH-UKWJTHFESA-N 11250133 BRD-K72093555-001-02-8 procyanidin-B-2 0 79.94 SantaCruz SC-228996 Procyanidin B1 578.142 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 XFZJEEAOWLFHDH-UKWJTHFESA-N 11250133 BRD-K72093555-001-01-0 procyanidin-B-2 0 81.99 SantaCruz sc-228996 578.142 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 XFZJEEAOWLFHDH-UKWJTHFESA-N 11250133 BRD-K01826750-003-15-9 procyclidine 0 92.08 MedChemEx HY-B1487 Procyclidine (hydrochloride) 259.168 COc1cc(N[C@@H](C)CCCN)c2ncccc2c1 |&1:6| INDBQLZJXZLFIT-NSHDSACASA-N 3044369 BRD-K92413528-001-06-9 procysteine 0 93.1 Sigma MFCD00066092 "(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid" 146.999 OC(=O)[C@@H]1CSC(=O)N1 BMLMGCPTLHPWPY-REOHCLBHSA-N 72390 BRD-A16311756-003-08-5 profenamine 0 45.81 MicroSource 1500293 ETHOPROPAZINE HYDROCHLORIDE 312.166 CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc12 |&1:5| CDOZDBSBBXSXLB-HNNXBMFYSA-N 667534 BRD-A16311756-003-09-3 profenamine 0 39.2 Sigma MFCD00012653 "N,N-diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine hydrochloride" 312.166 CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc12 |&1:5| CDOZDBSBBXSXLB-HNNXBMFYSA-N 667534 BRD-K68408467-065-01-8 proflavine-hemisulfate 0 87.04 MicroSource 1504305 PROFLAVINE HEMISULFATE 209.095 Nc1ccc2cc3ccc(N)cc3nc2c1 WDVSHHCDHLJJJR-UHFFFAOYSA-N 7099 BRD-K68408467-065-02-9 proflavine-hemisulfate 0 72.27 MedChemEx HY-B0883 Proflavine (hemisulfate) 209.095 Nc1ccc2cc3ccc(N)cc3nc2c1 WDVSHHCDHLJJJR-UHFFFAOYSA-N 7099 BRD-K64994968-001-32-5 progesterone 0 97.71 MicroSource 1500508 PROGESTERONE 314.225 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10| RJKFOVLPORLFTN-LEKSSAKUSA-N 5994 BRD-A67479912-001-03-4 BRD-K64994968-001-33-3 progesterone 0 90.93 Selleck S1705 Progesterone 314.225 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10| RJKFOVLPORLFTN-LEKSSAKUSA-N 5994 BRD-K37762555-001-01-4 BRD-A19458515-001-01-2 proglumetacin 0 0 AKSci H841 843.397 "CCCN(CCC)C(=O)[C@@H](CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1 |&1:9,r|" PTXGHCGBYMQQIG-RRHRGVEJSA-N 76965948 BRD-K01826553-236-10-9 proglumide 0 94.44 Tocris 1478 Proglumide sodium salt 334.189 CCCN(CCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccccc1 |&1:9| DGMKFQYCZXERLX-OAHLLOKOSA-N 6603906 BRD-K28183345-003-11-4 proguanil 0 92.08 MicroSource 1504211 CHLOROGUANIDE HYDROCHLORIDE 253.109 CC(C)NC(=N)N=C(N)Nc1ccc(Cl)cc1 SSOLNOMRVKKSON-UHFFFAOYSA-N 6178111 BRD-A09911125-001-01-4 prolylleucylglycinamide 0 32.9 Pharmeks PHAR208436 N-(1-{[(2-amino-2-oxoethyl)amino]carbonyl}-3-methylbutyl)-2-pyrrolidinecarboxamide 284.185 "CC(C)C[C@@H](NC(=O)[C@H]1CCCN1)C(=O)NCC(N)=O |&1:4,&2:8,r|" NOOJLZTTWSNHOX-NXEZZACHSA-N 51387302 BRD-K06980535-003-26-7 promazine 0 94.85 MedChemEx HY-B1225 Promazine (hydrochloride) 284.135 CN(C)CCCN1c2ccccc2Sc2ccccc12 ZGUGWUXLJSTTMA-UHFFFAOYSA-N 4926 BRD-K06980535-003-25-9 promazine 0 78.48 MicroSource 1500509 PROMAZINE HYDROCHLORIDE 284.135 CN(C)CCCN1c2ccccc2Sc2ccccc12 ZGUGWUXLJSTTMA-UHFFFAOYSA-N 4926 BRD-K75097983-001-01-0 promestriene 0 0 Carbosynth PROMESTRIENE "(17beta)-17-methoxy-3-propoxyestra-1,3,5(10)-triene" 328.24 CCCOc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC IUWKNLFTJBHTSD-AANPDWTMSA-N 9883915 BRD-A46335897-003-27-8 promethazine 0 88.98 MedChemEx HY-B0781 Promethazine (hydrochloride) 284.135 CC(CN1c2ccccc2Sc2ccccc12)N(C)C PWWVAXIEGOYWEE-UHFFFAOYSA-N 89044377 BRD-A46335897-003-26-0 promethazine 0 63.89 MicroSource 1500510 PROMETHAZINE HYDROCHLORIDE 284.135 CC(CN1c2ccccc2Sc2ccccc12)N(C)C PWWVAXIEGOYWEE-UHFFFAOYSA-N 89044377 BRD-K01825804-003-02-9 pronethalol 0 97.29 Tocris 829 Pronethalol hydrochloride 229.147 "CC(C)NC[C@@H](O)c1ccc2ccccc2c1 |&1:5,r|" HRSANNODOVBCST-OAHLLOKOSA-N 25271722 BRD-K54496168-003-01-2 propacetamol 0 94.37 AKSci K088 264.147 CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1 QTGAJCQTLIRCFL-UHFFFAOYSA-N 68865 BRD-K01826541-003-08-9 propafenone 0 96.8 MedChemEx HY-B0432A Propafenone (hydrochloride) 341.199 "CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 |&1:5,r|" JWHAUXFOSRPERK-GOSISDBHSA-N 184819 BRD-K01826541-001-06-9 propafenone 0 96.58 Selleck S2500 Propafenone HCl 341.199 "CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 |&1:5,r|" JWHAUXFOSRPERK-GOSISDBHSA-N 184819 BRD-K53382462-001-02-0 propagermanium 1 0 Sigma MFCD00049319 "3,3'-(1,3-dioxodigermoxane-1,3-diyl)dipropionic acid" 341.885 OC(=O)CC[Ge](=O)O[Ge](=O)CCC(O)=O XEABSBMNTNXEJM-UHFFFAOYSA-N 83030 BRD-K90885812-004-25-9 propantheline 0 94.6 MedChemEx HY-B1188 Propantheline (bromide) 368.223 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C VVWYOYDLCMFIEM-UHFFFAOYSA-N 4934 BRD-K90885812-004-24-2 propantheline 0 80.23 MicroSource 1500511 PROPANTHELINE BROMIDE 368.223 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C VVWYOYDLCMFIEM-UHFFFAOYSA-N 4934 BRD-K56276053-001-01-8 propatylnitrate 0 0 Sigma MFCD00137315 "2-ethyl-2-((nitrooxy)methyl)propane-1,3-diyl dinitrate" 269.05 CCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O YZZCJYJBCUJISI-UHFFFAOYSA-N 66261 BRD-K59273480-001-10-6 propentofylline 0 95.57 Enzo AC648 Propentofylline 306.169 CCCn1cnc2n(C)c(=O)n(CCCCC(C)=O)c(=O)c12 RBQOQRRFDPXAGN-UHFFFAOYSA-N 4938 BRD-K59273480-001-11-9 propentofylline 0 90.49 Sigma MFCD00133785 Propentofylline 306.169 CCCn1cnc2n(C)c(=O)n(CCCCC(C)=O)c(=O)c12 RBQOQRRFDPXAGN-UHFFFAOYSA-N 4938 BRD-K14821965-302-06-9 propidium-iodide 0 94.88 Tocris 5135 Propidium iodide 414.278 CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 ZDWVWKDAWBGPDN-UHFFFAOYSA-O 4939 BRD-K14821965-302-05-2 propidium-iodide 0 37.12 Prestwick Prestw-792 Propidium iodide 414.278 CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 ZDWVWKDAWBGPDN-UHFFFAOYSA-O 4939 BRD-K76867903-001-03-8 propiolactone 0 1.17 MicroSource 1503234 PROPIOLACTONE 72.021 O=C1CCO1 VEZXCJBBBCKRPI-UHFFFAOYSA-N 2365 BRD-K76867903-001-04-9 propiolactone 0 20 Sigma P5648 beta-Propiolactone 72.021 O=C1CCO1 VEZXCJBBBCKRPI-UHFFFAOYSA-N 2365 BRD-K91244729-003-01-3 propiverine 0 97.84 Sigma MFCD01672343 1-methyl-4-piperidinyl diphenyl(propoxy)acetate hydrochloride 367.215 CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 QPCVHQBVMYCJOM-UHFFFAOYSA-N 4942 BRD-K82255054-001-15-9 propofol 0 76.91 MicroSource 1505022 PROPOFOL 178.136 CC(C)c1cccc(C(C)C)c1O OLBCVFGFOZPWHH-UHFFFAOYSA-N 4943 BRD-K82255054-001-17-5 propofol 0 0 Enamine Z1245735300 "2,6-diisopropylphenol" 178.136 CC(C)c1cccc(C(C)C)c1O OLBCVFGFOZPWHH-UHFFFAOYSA-N 4943 BRD-K08231299-001-09-9 propoxur 0 49.59 MedChemEx HY-B0916 Propoxur 209.105 CNC(=O)Oc1ccccc1OC(C)C ISRUGXGCCGIOQO-UHFFFAOYSA-N 4944 BRD-K08231299-001-08-1 propoxur 0 93.11 MicroSource 330066 PROPOXUR 209.105 CNC(=O)Oc1ccccc1OC(C)C ISRUGXGCCGIOQO-UHFFFAOYSA-N 4944 BRD-K18250272-003-12-9 propoxycaine 0 97.65 MedChemEx HY-B1243 Propoxycaine (hydrochloride) 294.194 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC CAJIGINSTLKQMM-UHFFFAOYSA-N 6843 BRD-K18250272-003-11-0 propoxycaine 0 98.96 MicroSource 1505572 PROPOXYCAINE HYDROCHLORIDE 294.194 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC CAJIGINSTLKQMM-UHFFFAOYSA-N 6843 BRD-A10070317-003-30-9 propranolol 0 96.64 MicroSource 1505270 PROPRANOLOL HYDROCHLORIDE (+/-) 259.157 CC(C)NCC(O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-UHFFFAOYSA-N 62882 BRD-A10070317-003-28-3 propranolol 0 97.75 Selleck S4076 Propranolol HCl 259.157 CC(C)NCC(O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-UHFFFAOYSA-N 62882 BRD-A10070317-003-29-1 propranolol 0 97.42 Tocris 624 Propranolol hydrochloride 259.157 CC(C)NCC(O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-UHFFFAOYSA-N 62882 BRD-K92830582-003-11-9 propranolol-(R) 0 97.86 Tocris 835 (R)-(+)-Propranolol hydrochloride 259.157 CC(C)NC[C@@H](O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-CQSZACIVSA-N 21138 BRD-K92830582-003-10-5 propranolol-(R) 0 98.07 Tocris 835 (R)-(+)-Propranolol hydrochloride 259.157 CC(C)NC[C@@H](O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-CQSZACIVSA-N 21138 BRD-K13994703-003-17-9 propranolol-(S) 0 97.47 Tocris 834 (S)-(-)-Propranolol hydrochloride 259.157 CC(C)NC[C@H](O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-AWEZNQCLSA-N 91536 BRD-K13994703-003-15-8 propranolol-(S) 0 97.96 Tocris 834 (S)-(-)-Propranolol hydrochloride 259.157 CC(C)NC[C@H](O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-AWEZNQCLSA-N 91536 BRD-K13994703-003-16-6 propranolol-(S) 0 97.21 MicroSource 1500514 DEXPROPRANOLOL HYDROCHLORIDE 259.157 CC(C)NC[C@H](O)COc1cccc2ccccc12 AQHHHDLHHXJYJD-AWEZNQCLSA-N 91536 BRD-K15329706-001-01-6 propyl-benzoate 0 0 Enamine Z53835171 164.084 CCCOC(=O)c1ccccc1 UDEWPOVQBGFNGE-UHFFFAOYSA-N 16846 BRD-K15329706-001-02-9 propyl-benzoate 0 9.32 Sigma 307009 Propyl benzoate 164.084 CCCOC(=O)c1ccccc1 UDEWPOVQBGFNGE-UHFFFAOYSA-N 16846 BRD-A19232309-001-08-6 propylene-glycol 1 0 Sigma V003356 propylene glycol 76.052 "C[C@@H](O)CO |&1:1,r|" DNIAPMSPPWPWGF-GSVOUGTGSA-N 259994 BRD-K01825844-001-01-9 propylhexedrine 0 76.33 PrincetonBio OSSL_312908 1-cyclohexyl-N-methyl-2-propanamine 155.167 "CN[C@@H](C)CC1CCCCC1 |&1:2,r|" JCRIVQIOJSSCQD-VIFPVBQESA-N 71197 BRD-K60783397-001-12-9 propylparaben 0 96.88 MedChemEx HY-N2026 Propylparaben 180.079 CCCOC(=O)c1ccc(O)cc1 QELSKZZBTMNZEB-UHFFFAOYSA-N 7175 BRD-K60783397-001-09-5 propylparaben 0 0 ChemDiv 0099-0143 180.079 CCCOC(=O)c1ccc(O)cc1 QELSKZZBTMNZEB-UHFFFAOYSA-N 7175 BRD-K48168960-001-19-2 propylthiouracil 0 97.48 MicroSource 1500515 PROPYLTHIOURACIL 170.051 CCCc1cc(=O)[nH]c(=S)[nH]1 KNAHARQHSZJURB-UHFFFAOYSA-N 657298 BRD-K48168960-001-18-4 propylthiouracil 0 95.14 Selleck S1988 Propylthiouracil 170.051 CCCc1cc(=O)[nH]c(=S)[nH]1 KNAHARQHSZJURB-UHFFFAOYSA-N 657298 BRD-K06520168-001-03-9 propyphenazone 0 89.98 MedChemEx HY-A0273 Propyphenazone 230.142 CC(C)c1c(C)n(C)n(-c2ccccc2)c1=O PXWLVJLKJGVOKE-UHFFFAOYSA-N 3778 BRD-K54339150-001-01-8 proquazone 0 97 AMS A001576823 1-isopropyl-7-methyl-4-phenyl-2(1H)-quinazolinone 278.142 CC(C)n1c2cc(C)ccc2c(nc1=O)-c1ccccc1 JTIGKVIOEQASGT-UHFFFAOYSA-N 31508 BRD-K00005354-001-01-9 proscillaridin-A 0 92.93 Toronto P838495 proscillaridin A 530.288 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O |c:26| MYEJFUXQJGHEQK-ALRJYLEOSA-N 5284613 BRD-K97863768-001-06-9 protionamide 0 94.39 MicroSource 1505316 PROTIONAMIDE 180.072 CCCc1cc(ccn1)C(N)=S VRDIULHPQTYCLN-UHFFFAOYSA-N 666418 BRD-K97863768-001-24-9 protionamide 0 92.68 MedChemEx HY-B0306 Prothionamide 180.072 CCCc1cc(ccn1)C(N)=S VRDIULHPQTYCLN-UHFFFAOYSA-N 666418 BRD-K97863768-001-07-9 protionamide 0 94.29 Selleck S1881 Protionamide 180.072 CCCc1cc(ccn1)C(N)=S VRDIULHPQTYCLN-UHFFFAOYSA-N 666418 BRD-K00003716-015-01-9 protirelin 0 92.56 MedChemEx HY-P0002A Protirelin (Acetate) 362.17 NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 XNSAINXGIQZQOO-SRVKXCTJSA-N 638678 BRD-K26813314-001-12-9 protoporphyrin-IX 0 62.13 MedChemEx HY-B1247 Protoporphyrin IX 562.258 Cc1c(C=C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C HGXFBVDWWKPUKZ-UJJXFSCMSA-N BRD-K26813314-001-08-5 protoporphyrin-IX 0 18.86 MicroSource 1501111 PROTOPORPHYRIN IX 562.258 Cc1c(C=C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C HGXFBVDWWKPUKZ-UJJXFSCMSA-N BRD-K42098891-003-21-9 protriptyline 0 98.39 MedChemEx HY-B0949 Protriptyline (hydrochloride) 263.167 CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| BWPIARFWQZKAIA-UHFFFAOYSA-N 4976 BRD-K42098891-003-20-5 protriptyline 0 97 MicroSource 1505984 PROTRYPTYLINE HYDROCHLORIDE 263.167 CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| BWPIARFWQZKAIA-UHFFFAOYSA-N 4976 BRD-A29944538-003-09-9 proxodolol 0 92.24 Vitas-M STL336260 "1-(tert-butylamino)-3-{2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy}-2-propanol" 335.185 Cc1noc(COc2ccccc2OC[C@@H](O)CNC(C)(C)C)n1 |&1:15| CEDZURSVVKNCSL-ZDUSSCGKSA-N 940099 BRD-A29944538-003-08-3 proxodolol 0 97.24 InterBioScreen STOCK3S-35298 335.185 Cc1noc(COc2ccccc2OC[C@@H](O)CNC(C)(C)C)n1 |&1:15| CEDZURSVVKNCSL-ZDUSSCGKSA-N 940099 BRD-K77171813-034-02-6 proxyfan 0 92.55 Tocris 2477 Proxyfan oxalate 216.126 C(COCc1ccccc1)Cc1cnc[nH]1 WNWALBVQAAIULR-UHFFFAOYSA-N 6421522 BRD-K77171813-034-01-8 proxyfan 0 97.13 Tocris 2477 Proxyfan maleate 216.126 C(COCc1ccccc1)Cc1cnc[nH]1 WNWALBVQAAIULR-UHFFFAOYSA-N 6421522 BRD-K77171813-034-03-9 proxyfan 0 88.87 Tocris 2477 Proxyfan oxalate 216.126 C(COCc1ccccc1)Cc1cnc[nH]1 WNWALBVQAAIULR-UHFFFAOYSA-N 6421522 BRD-K79116891-003-15-1 proxymetacaine 0 97.7 MicroSource 1505688 PROPARACAINE HYDROCHLORIDE 294.194 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC KCLANYCVBBTKTO-UHFFFAOYSA-N 4935 BRD-K79116891-003-16-9 proxymetacaine 0 97.08 MedChemEx HY-66012 Proparacaine (Hydrochloride) 294.194 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC KCLANYCVBBTKTO-UHFFFAOYSA-N 4935 BRD-K79116891-003-14-4 proxymetacaine 0 96.84 Selleck S1828 Proparacaine HCl 294.194 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC KCLANYCVBBTKTO-UHFFFAOYSA-N 4935 BRD-A28887267-001-19-3 Proxyphylline 0 97.93 MicroSource 1505915 PROXYPHYLLINE 238.107 "C[C@@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |&1:1,r|" KYHQZNGJUGFTGR-ZCFIWIBFSA-N 158962 BRD-A28887267-001-20-9 Proxyphylline 0 97.97 MedChemEx HY-B1742 Proxyphylline 238.107 "C[C@@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |&1:1,r|" KYHQZNGJUGFTGR-ZCFIWIBFSA-N 158962 BRD-K25835157-001-02-2 PRT062070 0 87.94 MedChemEx HY-15999 Cerdulatinib 445.19 CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 BGLPECHZZQDNCD-UHFFFAOYSA-N 44595079 BRD-K25835157-001-04-8 PRT062070 0 89.15 MedChemEx HY-15999 Cerdulatinib 445.19 CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 BGLPECHZZQDNCD-UHFFFAOYSA-N 44595079 BRD-K25835157-001-01-4 PRT062070 0 82.33 MedChemEx HY-15999 Cerdulatinib 445.19 CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 BGLPECHZZQDNCD-UHFFFAOYSA-N 44595079 BRD-K53734668-003-04-6 PRT062607 0 89.36 Selleck S8032 "PRT062607 (P505-15, BIIB057) HCl" 393.203 N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 TXGKRVFSSHPBAJ-JKSUJKDBSA-N 44462758 BRD-K98804570-003-01-7 BRD-K53734668-003-02-0 PRT062607 0 94.89 Selleck S8032 "PRT062607 (P505-15, PRT2607, BIIB057) HCl" 393.203 N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 TXGKRVFSSHPBAJ-JKSUJKDBSA-N 44462758 BRD-K53734668-003-01-2 PRT062607 0 Selleck S8032 "PRT062607 (P505-15, PRT2607, BIIB057) HCl" 393.203 N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 "InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1" 44462758 BRD-K32456483-001-02-3 PRT4165 0 61.66 MedChemEx HY-19817 PRT4165 235.063 O=C1C(=Cc2cccnc2)C(=O)c2ccccc12 OMHZFEWYVFWVLI-UHFFFAOYSA-N 207893 BRD-K32456483-001-04-9 PRT4165 0 62.32 MedChemEx HY-19817 PRT4165 235.063 O=C1C(=Cc2cccnc2)C(=O)c2ccccc12 OMHZFEWYVFWVLI-UHFFFAOYSA-N 207893 BRD-K32456483-001-03-1 PRT4165 0 43.25 Tocris 5047 PRT 4165 235.063 O=C1C(=Cc2cccnc2)C(=O)c2ccccc12 OMHZFEWYVFWVLI-UHFFFAOYSA-N 207893 BRD-K33681278-001-03-9 prucalopride 0 98.37 MedChemEx HY-14151 Prucalopride 367.166 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 ZPMNHBXQOOVQJL-UHFFFAOYSA-N 3052762 BRD-K33681278-036-01-2 prucalopride 0 97.6 Selleck S4247 Prucalopride Succinat 367.166 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 ZPMNHBXQOOVQJL-UHFFFAOYSA-N 3052762 BRD-K33681278-001-02-4 prucalopride 0 97.46 Selleck S2875 Prucalopride 367.166 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 ZPMNHBXQOOVQJL-UHFFFAOYSA-N 3052762 BRD-A92341659-001-03-2 prulifloxacin 0 0 MicroSource 1502328 PRULIFLOXACIN 461.106 "C[C@H]1Sc2c(C(O)=O)c(=O)c3cc(F)c(cc3n12)N1CCN(Cc2oc(=O)oc2C)CC1 |&1:1,r|" PWNMXPDKBYZCOO-LLVKDONJSA-N 6556267 BRD-A96891111-001-01-8 BRD-A92341659-001-04-0 prulifloxacin 0 79.74 MedChemEx HY-B0024 Prulifloxacin 461.106 "C[C@H]1Sc2c(C(O)=O)c(=O)c3cc(F)c(cc3n12)N1CCN(Cc2oc(=O)oc2C)CC1 |&1:1,r|" PWNMXPDKBYZCOO-LLVKDONJSA-N 6556267 BRD-K43837174-003-02-1 pruvanserin 0 98.28 Tocris 4470 EMD 281014 hydrochloride 376.17 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 AQRLDDAFYYAIJP-UHFFFAOYSA-N 6433122 BRD-K43837174-003-01-3 pruvanserin 0 98.48 Sigma MFCD08056253 7-(4-(4-fluorophenethyl)piperazine-1-carbonyl)-1H-indole-3-carbonitrile hydrochloride 376.17 Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 AQRLDDAFYYAIJP-UHFFFAOYSA-N 6433122 BRD-K00004616-001-01-9 PRX-07034 0 86.32 ChemDiv H025-0367C "N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-N-[2-(methylsulfonyl)-5-piperazinophenyl]amine" 453.149 "COc1cc(Cl)cc([C@H](C)Nc2cc(ccc2S(C)(=O)=O)N2CCNCC2)c1OC |&1:8,r|" BSLXKMCHXRCBIH-AWEZNQCLSA-N 67147340 BRD-K16757695-050-02-5 PRX-08066 0 97.22 Selleck S8010 PRX-08066 Maleic acid 401.088 Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N IENZFHBNCRQMNP-UHFFFAOYSA-N 11502243 BRD-K16757695-001-03-9 PRX-08066 0 95.68 MedChemEx HY-15472 PRX-08066 401.088 Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N IENZFHBNCRQMNP-UHFFFAOYSA-N 11502243 BRD-K99092662-001-02-9 PS178990 0 96.24 Tocris 5274 BMS 564929 305.057 Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O)C#N KEJORAMIZFOODM-PWSUYJOCSA-N 9882972 BRD-K99092662-001-01-1 PS178990 0 98.09 MedChemEx HY-12111 BMS-564929 305.057 Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O)C#N KEJORAMIZFOODM-PWSUYJOCSA-N 9882972 BRD-K71266197-236-02-7 PSB-06126 0 97.74 Tocris 2574 PSB 06126 444.078 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S(O)(=O)=O ZHQRPIRGSWEALJ-UHFFFAOYSA-N 25124826 BRD-K71266197-236-03-9 PSB-06126 0 95.53 Tocris 2574 PSB 06126 444.078 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S(O)(=O)=O ZHQRPIRGSWEALJ-UHFFFAOYSA-N 25124826 BRD-K10177585-003-03-2 PSB-11 0 97.61 Tocris 2012 PSB 11 hydrochloride 295.143 CC[C@@H]1CN2C(=N1)c1nc([nH]c1N(C)C2=O)-c1ccccc1 |c:5| RGDHRCXUMURWBJ-LLVKDONJSA-N BRD-K10177585-003-04-9 PSB-11 0 90.98 Tocris 2012 PSB 11 hydrochloride 295.143 CC[C@@H]1CN2C(=N1)c1nc([nH]c1N(C)C2=O)-c1ccccc1 |c:5| RGDHRCXUMURWBJ-LLVKDONJSA-N BRD-K10177585-003-02-4 PSB-11 0 96.39 Tocris 2012 PSB 11 hydrochloride 295.143 CC[C@@H]1CN2C(=N1)c1nc([nH]c1N(C)C2=O)-c1ccccc1 |c:5| RGDHRCXUMURWBJ-LLVKDONJSA-N BRD-K49027941-001-02-9 PSB-1115 0 90.87 Tocris 2009 PSB 1115 350.068 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O UYDRRQPGDSIMNU-UHFFFAOYSA-N 5311479 BRD-K49027941-001-03-9 PSB-1115 0 97.08 Tocris 2009 PSB 1115 350.068 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O UYDRRQPGDSIMNU-UHFFFAOYSA-N 5311479 BRD-K49027941-001-01-1 PSB-1115 0 96.91 Tocris 2009 PSB 1115 350.068 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O UYDRRQPGDSIMNU-UHFFFAOYSA-N 5311479 BRD-K00004243-001-01-9 PSB-36 0 96.07 Tocris 2019 PSB 36 386.232 "[H][C@]12C[C@H]3C[C@]([H])(C[C@]3(C1)c1nc3n(CCCO)c(=O)n(CCCC)c(=O)c3[nH]1)C2 |r,THB:9:1:4:7.8|" CIBIXJYFYPFMTN-FZUGUKJMSA-N BRD-K05419687-001-01-0 PSB-603 0 98.46 Tocris 3198 PSB 603 528.135 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 OVHCTHHFOHMNFV-UHFFFAOYSA-N 44185871 BRD-K05419687-001-02-9 PSB-603 0 96.79 Tocris 3198 PSB 603 528.135 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 OVHCTHHFOHMNFV-UHFFFAOYSA-N 44185871 BRD-K07798980-001-02-9 PSI-6130 0 100 MedChemEx HY-10165 PSI-6130 259.097 C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O NYPIRLYMDJMKGW-VPCXQMTMSA-N 6481236 BRD-K07798980-001-01-9 PSI-6130 0 100 MedChemEx HY-10165 PSI-6130 259.097 C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O NYPIRLYMDJMKGW-VPCXQMTMSA-N 6481236 BRD-K00003192-001-01-9 PSI-697 0 92.55 MedChemEx HY-15526 PSI-697 367.098 OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12 DIEPFYNZGUUVHD-UHFFFAOYSA-N 12004316 BRD-K05674516-001-01-7 PSI-7976 0 98.58 MedChemEx HY-15005A PSI-7976 529.163 CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 TTZHDVOVKQGIBA-YBSJRAAASA-N 45375809 BRD-K05674516-001-02-5 PSI-7976 0 98.52 MedChemEx HY-15005 PSI-7977 529.163 CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 TTZHDVOVKQGIBA-YBSJRAAASA-N 45375809 BRD-K05674516-001-03-9 PSI-7976 0 94.97 MedChemEx HY-15005A PSI-7976 529.163 CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 TTZHDVOVKQGIBA-YBSJRAAASA-N 45375809 BRD-K25524093-003-02-5 PSN-375963 0 60.28 Tocris 3353 PSN 375963 hydrochloride 285.184 CCCCC1CCC(CC1)c1nc(no1)-c1ccncc1 OAVLEYPTWABFLF-UHFFFAOYSA-N 2875918 BRD-K25524093-003-01-7 PSN-375963 0 65.92 Tocris 3353 PSN 375963 hydrochloride 285.184 CCCCC1CCC(CC1)c1nc(no1)-c1ccncc1 OAVLEYPTWABFLF-UHFFFAOYSA-N 2875918 BRD-K25524093-003-03-9 PSN-375963 0 66.55 Tocris 3353 PSN 375963 hydrochloride 285.184 CCCCC1CCC(CC1)c1nc(no1)-c1ccncc1 OAVLEYPTWABFLF-UHFFFAOYSA-N 2875918 BRD-K33502629-001-01-0 PSNCBAM-1 0 88.92 Tocris 5321 PSNCBAM-1 392.14 Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1 HDAYFSFWIPRJSO-UHFFFAOYSA-N 11560249 BRD-K33502629-001-02-9 PSNCBAM-1 0 96.73 Tocris 5321 PSNCBAM-1 392.14 Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1 HDAYFSFWIPRJSO-UHFFFAOYSA-N 11560249 BRD-K47264279-001-08-9 psoralen 0 91.19 Specs AA-504/20833002 186.032 O=c1ccc2cc3ccoc3cc2o1 ZCCUUQDIBDJBTK-UHFFFAOYSA-N 6199 BRD-K20850787-001-01-6 PT-2385 0 96.9 MedChemEx HY-12867 PT-2385 383.044 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 ONBSHRSJOPSEGS-INIZCTEOSA-N 91754484 BRD-K00010388-001-01-9 PTC-028 0 93.71 MedChemEx HY-103696 PTC-028 405.101 Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(cc2)C(F)(F)F)n1 JEZGPBWIZWPDHP-UHFFFAOYSA-N 73427235 BRD-K83834509-001-01-1 PTC-209 0 78.13 Selleck S7372 PTC-209 492.921 COc1cc(Br)c(Nc2nc(cs2)-c2c(C)nc3ncccn23)c(Br)c1 XVOOCQSWCCRVDY-UHFFFAOYSA-N 1117196 BRD-K83834509-001-04-9 PTC-209 0 81.39 MedChemEx HY-15888 PTC-209 492.921 COc1cc(Br)c(Nc2nc(cs2)-c2c(C)nc3ncccn23)c(Br)c1 XVOOCQSWCCRVDY-UHFFFAOYSA-N 1117196 BRD-K83834509-001-03-7 PTC-209 0 85.87 MedChemEx HY-15888 PTC-209 492.921 COc1cc(Br)c(Nc2nc(cs2)-c2c(C)nc3ncccn23)c(Br)c1 XVOOCQSWCCRVDY-UHFFFAOYSA-N 1117196 BRD-K83834509-001-02-9 PTC-209 0 76.71 Selleck S7372 PTC-209 492.921 COc1cc(Br)c(Nc2nc(cs2)-c2c(C)nc3ncccn23)c(Br)c1 XVOOCQSWCCRVDY-UHFFFAOYSA-N 1117196 BRD-K92870997-001-16-9 pterostilbene 0 98.33 MedChemEx HY-N0828 Pterostilbene 256.11 COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 VLEUZFDZJKSGMX-ONEGZZNKSA-N 5281727 BRD-K36529613-001-02-6 PU-H71 0 95.73 MedChemEx HY-11038 PU-H71 512.049 CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12 SUPVGFZUWFMATN-UHFFFAOYSA-N 9549213 BRD-K89048337-001-07-9 puerarin 0 95.49 MedChemEx HY-N0145 Puerarin 416.111 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O HKEAFJYKMMKDOR-VPRICQMDSA-N 5281807 BRD-K89048337-001-08-9 puerarin 0 95.93 Vitas-M STL146384 Kakonein 416.111 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O HKEAFJYKMMKDOR-VPRICQMDSA-N 5281807 BRD-K89048337-001-06-9 puerarin 0 97.51 Selleck S2346 Puerarin 416.111 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O HKEAFJYKMMKDOR-VPRICQMDSA-N 5281807 BRD-K85867784-001-02-3 BRD-K44164034-003-01-1 pumosetrag 0 98.08 Sigma SML1038 "(R)-7-hydroxy-N-(quinuclidin-3-yl)thieno[3,2-b]pyridine-6-carboxamide hydrochloride" 303.104 O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O AFUWQWYPPZFWCO-LBPRGKRZSA-N 154104 BRD-K73397362-001-08-2 purmorphamine 0 85.51 Tocris 4551 Purmorphamine 520.259 C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 FYBHCRQFSFYWPY-UHFFFAOYSA-N 5284329 BRD-K73397362-001-06-6 purmorphamine 0 90 Selleck S3042 Purmorphamine 520.259 C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 FYBHCRQFSFYWPY-UHFFFAOYSA-N 5284329 BRD-K73397362-001-07-4 purmorphamine 0 94.09 Selleck S3042 Purmorphamine 520.259 C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 FYBHCRQFSFYWPY-UHFFFAOYSA-N 5284329 BRD-K36007650-300-09-9 puromycin 0 96.84 Tocris 4089 Puromycin dihydrochloride 471.223 COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1 RXWNCPJZOCPEPQ-NVWDDTSBSA-N 439530 BRD-K50836978-001-04-9 purvalanol-A 0 97.41 Tocris 1580 Purvalanol A 388.178 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 PMXCMJLOPOFPBT-HNNXBMFYSA-N 456214 BRD-K50836978-001-03-3 purvalanol-A 0 95.85 Tocris 1580 Purvalanol A 388.178 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 PMXCMJLOPOFPBT-HNNXBMFYSA-N 456214 BRD-K50836978-001-02-5 purvalanol-A 0 97.56 Tocris 1580 Purvalanol A 388.178 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 PMXCMJLOPOFPBT-HNNXBMFYSA-N 456214 BRD-K41564320-001-04-9 purvalanol-B 0 96.67 Tocris 1581 Purvalanol B 432.168 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 ZKDXRFMOHZVXSG-HNNXBMFYSA-N 448991 BRD-K41564320-001-03-8 purvalanol-B 0 97.41 Tocris 1581 Purvalanol B 432.168 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 ZKDXRFMOHZVXSG-HNNXBMFYSA-N 448991 BRD-K41564320-001-02-0 purvalanol-B 0 97.82 Tocris 1581 Purvalanol B 432.168 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 ZKDXRFMOHZVXSG-HNNXBMFYSA-N 448991 BRD-K75282878-300-05-3 putrescine 1 0 Sigma P6024 "1,4-butanediamine dihydrochloride" 88.1 NCCCCN KIDHWZJUCRJVML-UHFFFAOYSA-N 1045 BRD-A56592690-001-04-3 PX-12 0 95.68 MedChemEx HY-13734 PX-12 188.044 "CC[C@@H](C)SSc1ncc[nH]1 |&1:2,r|" BPBPYQWMFCTCNG-ZCFIWIBFSA-N 86308851 BRD-A26835809-300-01-3 PX-478 0 88.15 Selleck S7612 PX-478 2HCl 320.069 N[C@@H](Cc1ccc(cc1)[N+]([O-])(CCCl)CCCl)C(O)=O |&1:1| GSKQMLGAUOTSKT-LBPRGKRZSA-N 11234795 BRD-K62277907-001-02-9 PYM50028 0 100 MedChemEx HY-N0073 Sarsasapogenin 416.329 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 GMBQZIIUCVWOCD-WWASVFFGSA-N 92095 BRD-K62277907-001-01-6 PYM50028 0 100 Enzo NP272 Sarsasapogenin 416.329 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 GMBQZIIUCVWOCD-WWASVFFGSA-N 92095 BRD-K66101666-001-01-5 PYR-41 0 0 Selleck S7129 PYR-41 371.075 CCOC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)[N+]([O-])=O)C1=O ARGIPZKQJGFSGQ-LCYFTJDESA-N 5335621 BRD-K66101666-001-02-3 PYR-41 0 33.17 Selleck S7129 PYR-41 371.075 CCOC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)[N+]([O-])=O)C1=O ARGIPZKQJGFSGQ-LCYFTJDESA-N 5335621 BRD-K82118441-001-03-7 pyrantel 0 97.74 Sigma MFCD00004079 "4,4'-methylenebis(3-hydroxy-2-naphthoic acid)" 388.095 OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O WLJNZVDCPSBLRP-UHFFFAOYSA-N 8546 BRD-K20672254-096-06-7 pyrantel-pamoate 0 79.2 MedChemEx HY-12640 Pyrantel (pamoate) 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K20672254-046-05-4 pyrantel-pamoate 0 94.32 MedChemEx HY-12641 Pyrantel (tartrate) 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K20672254-096-05-9 pyrantel-pamoate 0 19.44 MedChemEx HY-12640 Pyrantel (pamoate) 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K20672254-046-04-7 pyrantel-pamoate 0 79.67 MedChemEx HY-12641 Pyrantel (tartrate) 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K20672254-046-03-9 pyrantel-pamoate 0 66.29 Prestwick Prestw-212 Pyrantel tartrate 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K20672254-096-03-4 pyrantel-pamoate 0 67.9 MicroSource 1500517 PYRANTEL PAMOATE 206.088 CN1CCCN=C1\C=C\c1cccs1 |c:5| YSAUAVHXTIETRK-AATRIKPKSA-N 708857 BRD-K28667793-001-27-3 pyrazinamide 0 92.14 Selleck S1762 Pyrazinamide 123.043 NC(=O)c1cnccn1 IPEHBUMCGVEMRF-UHFFFAOYSA-N 1046 BRD-K28667793-001-28-1 pyrazinamide 0 98.54 MicroSource 1500518 PYRAZINAMIDE 123.043 NC(=O)c1cnccn1 IPEHBUMCGVEMRF-UHFFFAOYSA-N 1046 BRD-K61693562-300-01-7 pyrazinoylguanidine 0 95.97 Enamine Z1198155666 165.065 NC(=N)NC(=O)c1cnccn1 WNBSDCKJFDZMHT-UHFFFAOYSA-N 137321773 BRD-K01567962-001-30-9 pyrazolanthrone 0 94.51 Tocris 1496 SP 600125 220.064 O=C1c2ccccc2-c2[nH]nc3cccc1c23 ACPOUJIDANTYHO-UHFFFAOYSA-N 8515 BRD-K01567962-001-23-0 pyrazolanthrone 0 97.4 Selleck S1460 SP600125 220.064 O=C1c2ccccc2-c2[nH]nc3cccc1c23 ACPOUJIDANTYHO-UHFFFAOYSA-N 8515 BRD-K01567962-001-24-8 pyrazolanthrone 0 96.59 Tocris 1496 SP 600125 220.064 O=C1c2ccccc2-c2[nH]nc3cccc1c23 ACPOUJIDANTYHO-UHFFFAOYSA-N 8515 BRD-K42607789-001-01-2 pyrazoloacridine 0 13.26 Sigma MFCD00667221 "3-(9-methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethyl-1-propanamine" 367.164 COc1ccc2nc3c(ccc4n(CCCN(C)C)[nH]c(c34)c2c1)[N+]([O-])=O HVRZAFDJOWIDMM-UHFFFAOYSA-N BRD-K00010129-001-01-9 pyrethrins 0 96.88 TRC P991245 pyrethrin 1 328.204 CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C=C)=C2C)C1(C)C |c:18| ROVGZAWFACYCSP-VUMXUWRFSA-N 5281045 BRD-K76204040-001-03-8 pyridoxal 0 92.3 Vitas-M STL137770 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 167.058 Cc1ncc(CO)c(C=O)c1O RADKZDMFGJYCBB-UHFFFAOYSA-N 1050 BRD-K42019693-001-01-5 pyridoxal-isonicotinoyl-hydrazone 0 93.7 Cayman 19357 Pyridoxal isonicotinoyl hydrazone 286.107 Cc1ncc(CO)c(\C=N\NC(=O)c2ccncc2)c1O BQYIXOPJPLGCRZ-REZTVBANSA-N 135409539 BRD-K96669468-300-01-1 pyridoxamine 0 98.7 Sigma MFCD00012808 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol dihydrochloride 168.09 Cc1ncc(CO)c(CN)c1O NHZMQXZHNVQTQA-UHFFFAOYSA-N 11205997 BRD-K14349461-001-04-4 pyridoxine 0 98.43 MicroSource 1505453 PYRIDOXINE 169.074 Cc1ncc(CO)c(CO)c1O LXNHXLLTXMVWPM-UHFFFAOYSA-N 1054 BRD-K14349461-003-13-1 pyridoxine 0 100 Selleck S3113 Pyridoxine HCl 169.074 Cc1ncc(CO)c(CO)c1O LXNHXLLTXMVWPM-UHFFFAOYSA-N 1054 BRD-K88429204-001-38-5 pyrimethamine 0 95.03 Tocris 3918 Pyrimethamine 248.083 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 WKSAUQYGYAYLPV-UHFFFAOYSA-N 4993 BRD-K88429204-001-33-6 pyrimethamine 0 98.23 Selleck S2006 Pyrimethamine 248.083 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 WKSAUQYGYAYLPV-UHFFFAOYSA-N 4993 BRD-K88429204-001-34-4 pyrimethamine 0 98.36 Tocris 3918 Pyrimethamine 248.083 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 WKSAUQYGYAYLPV-UHFFFAOYSA-N 4993 BRD-K88429204-001-35-1 pyrimethamine 0 99.69 MicroSource 1500520 PYRIMETHAMINE 248.083 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 WKSAUQYGYAYLPV-UHFFFAOYSA-N 4993 BRD-K88429204-001-40-9 pyrimethamine 0 95.85 Tocris 3918 Pyrimethamine 248.083 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 WKSAUQYGYAYLPV-UHFFFAOYSA-N 4993 BRD-K94659840-001-02-9 pyrintegrin 0 95.74 Tocris 4978 Pyrintegrin 451.168 Oc1ccc2N(CCCc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)n1 QRJTZIJWDLJKQO-UHFFFAOYSA-N 46223724 BRD-K94659840-001-01-7 pyrintegrin 0 89.51 Tocris 4978 Pyrintegrin 451.168 Oc1ccc2N(CCCc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)n1 QRJTZIJWDLJKQO-UHFFFAOYSA-N 46223724 BRD-K16136380-001-01-7 pyrithione-zinc 1 99.05 MicroSource 1500260 PYRITHIONE ZINC 315.932 O1[n+]2ccccc2S[Zn]11O[n+]2ccccc2S1 KTIHEFSORPLWRR-UHFFFAOYSA-L BRD-U32859412-000-01-6 BRD-K16136380-001-03-3 pyrithione-zinc 1 0 Selleck S4075 Zinc Pyrithione 315.932 O1[n+]2ccccc2S[Zn]11O[n+]2ccccc2S1 KTIHEFSORPLWRR-UHFFFAOYSA-L BRD-U31911056-000-01-7 BRD-K16136380-001-02-5 pyrithione-zinc 1 0 Selleck S4075 Zinc Pyrithione 315.932 O1[n+]2ccccc2S[Zn]11O[n+]2ccccc2S1 KTIHEFSORPLWRR-UHFFFAOYSA-L BRD-U63926453-000-01-5 BRD-K16136380-001-04-9 pyrithione-zinc 1 90 MedChemEx HY-B0572 Zinc Pyrithione 315.932 O1[n+]2ccccc2S[Zn]11O[n+]2ccccc2S1 KTIHEFSORPLWRR-UHFFFAOYSA-L BRD-K36116267-001-15-3 pyrithyldione 0 97.73 MicroSource 1503085 PYRITHYLDIONE 167.095 CCC1(CC)C(=O)NC=CC1=O |c:8| NZASCBIBXNPDMH-UHFFFAOYSA-N 4994 BRD-K82181219-300-05-9 pyritinol 0 97.57 MedChemEx HY-B0910A Pyrithioxin (dihydrochloride) 368.086 Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O SIXLXDIJGIWWFU-UHFFFAOYSA-N 14190 BRD-K82181219-001-04-3 pyritinol 0 96.46 MicroSource 1505762 PYRITINOL 368.086 Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O SIXLXDIJGIWWFU-UHFFFAOYSA-N 14190 BRD-K73132780-411-01-3 pyronaridine 0 74.21 MicroSource 1502329 PYRONARIDINE TETRAPHOSPHATE 517.224 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 DJUFPMUQJKWIJB-UHFFFAOYSA-N 107771 BRD-K73132780-001-01-2 pyronaridine 0 86.56 Vitas-M STK597795 "4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol" 517.224 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 DJUFPMUQJKWIJB-UHFFFAOYSA-N 107771 BRD-K00003463-001-01-9 pyrotinib 0 97.45 MedChemEx HY-104065 Pyrotinib 582.215 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C SADXACCFNXBCFY-IYNHSRRRSA-N 51039030 BRD-K11663430-001-04-9 pyroxamide 0 81.48 Cayman 13870 N~1~-hydroxy-N~8~-(3-pyridinyl)octanediamide 265.143 ONC(=O)CCCCCCC(=O)Nc1cccnc1 PTJGLFIIZFVFJV-UHFFFAOYSA-N 4996 BRD-K11663430-001-03-1 pyroxamide 0 79.82 Tocris 4403 Pyroxamide 265.143 ONC(=O)CCCCCCC(=O)Nc1cccnc1 PTJGLFIIZFVFJV-UHFFFAOYSA-N 4996 BRD-K11663430-001-02-3 pyroxamide 0 95.74 Cayman 13870 265.143 ONC(=O)CCCCCCC(=O)Nc1cccnc1 PTJGLFIIZFVFJV-UHFFFAOYSA-N 4996 BRD-K80970344-201-10-9 pyrrolidine-dithiocarbamate 0 0 Tocris 727 Pyrrolidinedithiocarbamate ammonium 147.018 SC(=S)N1CCCC1 VSWDORGPIHIGNW-UHFFFAOYSA-N 65351 BRD-K80970344-201-08-6 pyrrolidine-dithiocarbamate 0 0 Tocris 727 Pyrrolidinedithiocarbamate ammonium 147.018 SC(=S)N1CCCC1 VSWDORGPIHIGNW-UHFFFAOYSA-N 65351 BRD-K39479472-096-06-9 pyrvinium-pamoate 0 64.19 Sigma S______P0027 382.228 CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1 QMHSXPLYMTVAMK-UHFFFAOYSA-N 5281035 BRD-K39479472-373-06-9|BRD-K39479472-373-06-9 BRD-K39479472-096-04-7 pyrvinium-pamoate 0 2.67 MicroSource 1500521 PYRVINIUM PAMOATE 382.228 CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1 QMHSXPLYMTVAMK-UHFFFAOYSA-N 5281035 BRD-K00005336-001-01-9 PZ-2891 0 96.3 MedChemEx HY-124634 PZ-2891 349.19 CC(C)c1ccc(CC(=O)N2CCN(CC2)c2ccc(nn2)C#N)cc1 LGWDVWIZDPGCFG-UHFFFAOYSA-N 132260806 BRD-K59853741-001-01-9 Q-203 0 89.92 Enamine Z2235679010 556.185 CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(OC(F)(F)F)cc1 OJICYBSWSZGRFB-UHFFFAOYSA-N 68234908 BRD-K63631219-001-01-6 quazinone 0 97.92 AMS A000382058 "(3R)-6-chloro-3-methyl-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one" 235.051 CC1N2Cc3c(Cl)cccc3NC2=NC1=O |c:14| BHZFZYLBVSWUMT-UHFFFAOYSA-N 135511466 BRD-K97399794-001-15-3 quercetin 0 93.07 Tocris 1125 Quercetin 302.043 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N 5280343 BRD-K97399794-001-14-6 quercetin 0 85 Selleck S2391 Quercetin 302.043 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N 5280343 BRD-K97399794-335-05-6 quercetin 0 82.23 Selleck S2347 Quercetin Dihydrate 302.043 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N 5280343 BRD-K97399794-001-16-1 quercetin 0 91.46 Selleck S2391 Quercetin (Sophoretin) 302.043 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N 5280343 BRD-K97399794-335-06-4 quercetin 0 89.52 Selleck S2347 Quercetin dihydrate (Sophoretin) 302.043 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N 5280343 BRD-K68867920-001-11-0 quetiapine 0 97.21 MicroSource 1505187 QUETIAPINE 383.167 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| URKOMYMAXPYINW-UHFFFAOYSA-N 5002 BRD-K68867920-051-12-3 quetiapine 0 97.78 Tocris 4735 Quetiapine hemifumarate 383.167 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| URKOMYMAXPYINW-UHFFFAOYSA-N 5002 BRD-M66874015-051-04-2 BRD-K68867920-051-11-5 quetiapine 0 98.67 Selleck S1763 Quetiapine Fumarate 383.167 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| URKOMYMAXPYINW-UHFFFAOYSA-N 5002 BRD-M66874015-051-02-6 BRD-K39503511-001-03-9 quiflapon 0 97.94 MedChemEx HY-10037 MK-0591 586.206 CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 NZOONKHCNQFYCI-UHFFFAOYSA-N 60923 BRD-K02995728-003-01-9 quinagolide 0 90.35 MedChemEx HY-13736A Quinagolide (hydrochloride) 395.224 CCCN1C[C@H](C[C@@H]2Cc3c(O)cccc3C[C@@H]12)NS(=O)(=O)N(CC)CC GDFGTRDCCWFXTG-ZIFCJYIRSA-N 3086401 BRD-K72222507-003-16-8 quinapril 0 86.77 MicroSource 1503076 QUINAPRIL HYDROCHLORIDE 438.215 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O JSDRRTOADPPCHY-HSQYWUDLSA-N 54892 BRD-K72222507-003-15-0 quinapril 0 65.36 Selleck S2581 Quinapril HCl 438.215 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O JSDRRTOADPPCHY-HSQYWUDLSA-N 54892 BRD-K72222507-003-17-6 quinapril 0 93.01 Selleck S2581 Quinapril hydrochloride (Accupril) 438.215 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O JSDRRTOADPPCHY-HSQYWUDLSA-N 54892 BRD-K72222507-003-20-0 quinapril 0 90.11 Selleck S2581 QUINAPRILAT 438.215 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O JSDRRTOADPPCHY-HSQYWUDLSA-N 54892 BRD-K42317111-001-01-7 quinaprilat 0 0 MicroSource 1505455 QUINAPRILAT 410.184 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O FLSLEGPOVLMJMN-YSSFQJQWSA-N 107994 BRD-K13261168-300-01-0 quinelorane 0 97.42 Enzo AC756 "LY-163,502" 246.184 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12 TUFADSGTJUOBEH-ZWNOBZJWSA-N 57242 BRD-K63794707-001-20-9 quinestrol 0 89.67 MedChemEx HY-B1012 Quinestrol 364.24 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1CC[C@@]2(O)C#C PWZUUYSISTUNDW-VAFBSOEGSA-N 9046 BRD-A59303141-001-11-9 quinethazone 0 97.25 USP 59400G quinethazone 289.029 "CC[C@H]1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O |&1:2,r|" AGMMTXLNIQSRCG-SECBINFHSA-N 6604207 BRD-A59303141-001-10-4 quinethazone 0 98.85 MicroSource 1503877 QUINETHAZONE 289.029 "CC[C@H]1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O |&1:2,r|" AGMMTXLNIQSRCG-SECBINFHSA-N 6604207 BRD-K59632282-001-04-9 quinidine 0 85.02 MedChemEx HY-B1751 Quinidine 324.184 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 LOUPRKONTZGTKE-LHHVKLHASA-N 441074 BRD-K59632282-052-03-1 quinidine 0 87.9 MicroSource 1500523 QUINIDINE GLUCONATE 324.184 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 LOUPRKONTZGTKE-LHHVKLHASA-N 441074 BRD-K07940445-310-02-9 quinine 0 93.42 Selleck S2502 324.184 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 LOUPRKONTZGTKE-WZBLMQSHSA-N 3034034 BRD-K99257182-310-01-6 BRD-K07940445-001-02-4 quinine 0 94.43 CombiBlocks OR-4054 324.184 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 LOUPRKONTZGTKE-WZBLMQSHSA-N 3034034 BRD-K07940445-003-07-9 quinine 0 90.17 Tocris 4114 Quinine hydrochloride 324.184 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 LOUPRKONTZGTKE-WZBLMQSHSA-N 3034034 BRD-K97028990-001-04-4 quinine-ethyl-carbonate 0 92.37 MicroSource 310050 QUININE ETHYL CARBONATE 396.205 CCOC(=O)O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccc(OC)cc12 NSBRKSWSLRQPJW-FRMGNDQPSA-N 5702001 BRD-K51885093-001-11-2 quinolinic-acid 0 94.44 Tocris 225 Quinolinic acid 167.022 OC(=O)c1cccnc1C(O)=O GJAWHXHKYYXBSV-UHFFFAOYSA-N 1066 BRD-K26548821-003-11-3 quinpirol-(-) 0 87.54 Tocris 1061 (-)-Quinpirole hydrochloride 219.174 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 FTSUPYGMFAPCFZ-ZWNOBZJWSA-N 54562 BRD-K26548821-003-14-9 quinpirol-(-) 0 100 Tocris 1061 (-)-Quinpirole hydrochloride 219.174 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 FTSUPYGMFAPCFZ-ZWNOBZJWSA-N 54562 BRD-K26548821-003-10-5 quinpirol-(-) 0 94.33 Tocris 1061 (-)-Quinpirole hydrochloride 219.174 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 FTSUPYGMFAPCFZ-ZWNOBZJWSA-N 54562 BRD-K77925998-050-14-3 quipazine 0 92.6 MicroSource 1503420 QUIPAZINE MALEATE 213.127 C1CN(CCN1)c1ccc2ccccc2n1 XRXDAJYKGWNHTQ-UHFFFAOYSA-N 5011 BRD-K77925998-364-01-5 quipazine 0 81.34 Selleck S4409 Quipazine Maleate 213.127 C1CN(CCN1)c1ccc2ccccc2n1 XRXDAJYKGWNHTQ-UHFFFAOYSA-N 5011 BRD-K77925998-332-15-9 quipazine 0 97.07 Tocris 629 Quipazine dimaleate 213.127 C1CN(CCN1)c1ccc2ccccc2n1 XRXDAJYKGWNHTQ-UHFFFAOYSA-N 5011 BRD-K77925998-332-04-6 quipazine 0 78.06 Tocris 629 Quipazine dimaleate 213.127 C1CN(CCN1)c1ccc2ccccc2n1 XRXDAJYKGWNHTQ-UHFFFAOYSA-N 5011 BRD-K93918653-001-12-9 quizartinib 0 97.84 MedChemEx HY-13001 Quizartinib 560.221 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 CVWXJKQAOSCOAB-UHFFFAOYSA-N 24889392 BRD-K93918653-001-08-9 quizartinib 0 95.17 Selleck S1526 Quizartinib (AC220) 560.221 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 CVWXJKQAOSCOAB-UHFFFAOYSA-N 24889392 BRD-K40782193-003-02-9 QX-222 0 98.05 Tocris 1043 QX 222 221.165 Cc1cccc(C)c1NC(=O)C[N+](C)(C)C QYUXPWDVDMSTKR-UHFFFAOYSA-O 5014 BRD-K56596464-003-02-6 QX-314 0 96.92 Tocris 2313 QX 314 chloride 263.212 CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C PYEBKOFMWAMBFV-UHFFFAOYSA-O 3925 BRD-K56596464-003-11-9 QX-314 0 100 Tocris 2313 QX 314 chloride 263.212 CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C PYEBKOFMWAMBFV-UHFFFAOYSA-O 3925 BRD-K56596464-004-10-7 QX-314 0 97.7 Tocris 1014 QX 314 bromide 263.212 CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C PYEBKOFMWAMBFV-UHFFFAOYSA-O 3925 BRD-K00004717-001-01-9 R-121919 0 97.86 Adooq A13535 NBI 30775 380.269 CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C ANNRUWYFVIGKHA-UHFFFAOYSA-N 9821250 BRD-K28442028-001-02-9 R-1479 0 85.76 MedChemEx HY-10444 R-1479 284.087 Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)n1 ODLGMSQBFONGNG-JVZYCSMKSA-N 457388 BRD-K28442028-001-01-3 R-1479 0 96.79 MedChemEx HY-10444 R-1479 284.087 Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)n1 ODLGMSQBFONGNG-JVZYCSMKSA-N 457388 BRD-K96418224-300-02-9 R-1485 0 96.11 Tocris 4964 R 1485 dihydrochloride 377.121 Fc1ccccc1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1 UPROBLPRPWYJGN-UHFFFAOYSA-N 11689373 BRD-K96418224-300-01-8 R-1485 0 95.77 Tocris 4964 R 1485 dihydrochloride 377.121 Fc1ccccc1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1 UPROBLPRPWYJGN-UHFFFAOYSA-N 11689373 BRD-K00004710-001-01-9 R-1487 0 95.05 AMS O32755 "6-(2,4-Difluorophenoxy)-8-methyl-2-((tetrahydro-2H-pyran-4-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one" 388.135 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O KKKRKRMVJRHDMG-UHFFFAOYSA-N 11406590 BRD-K83904070-001-01-1 R-268712 0 91.85 Tocris 5288 R 268712 363.15 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)c(c1)-c1cnn(CCO)c1 JQGOCCALXFSRHZ-UHFFFAOYSA-N 11703284 BRD-K83904070-001-02-9 R-268712 0 96.21 Tocris 5288 R 268712 363.15 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)c(c1)-c1cnn(CCO)c1 JQGOCCALXFSRHZ-UHFFFAOYSA-N 11703284 BRD-K14870255-001-02-3 R-428 0 88.26 MedChemEx HY-15150 R428 506.291 Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 KXMZDGSRSGHMMK-VWLOTQADSA-N 46215462 BRD-K54665485-001-08-7 R-59022 0 97.41 Tocris 2194 R 59-022 459.178 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccccc1)c1ccc(F)cc1 MFVJXLPANKSLLD-UHFFFAOYSA-N 3012 BRD-K54665485-001-07-9 R-59022 0 93.63 Tocris 2194 R 59-022 459.178 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccccc1)c1ccc(F)cc1 MFVJXLPANKSLLD-UHFFFAOYSA-N 3012 BRD-K15588452-003-03-5 R-96544 0 96.58 Tocris 1742 R-96544 hydrochloride 355.215 COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1 AFZLABYDOCWQBQ-WOJBJXKFSA-N 10668211 BRD-K15588452-003-04-9 R-96544 0 96.14 Tocris 1742 R-96544 hydrochloride 355.215 COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1 AFZLABYDOCWQBQ-WOJBJXKFSA-N 10668211 BRD-K15588452-003-02-7 R-96544 0 92.89 Tocris 1742 R-96544 hydrochloride 355.215 COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1 AFZLABYDOCWQBQ-WOJBJXKFSA-N 10668211 BRD-K23902832-001-01-7 R112 0 94.95 MedChemEx HY-16420 R112 312.102 Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 TVKGTSHBQZEFEE-UHFFFAOYSA-N 9904854 BRD-K86687746-001-01-3 R306465 0 82.42 AdvChemBlocks A-632 5-pyrimidinecarboxamide-n-hydroxy-2-4-2-naphthalenylsulfonyl-1-piperazinyl 413.116 ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 MUTBJZVSRNUIHA-UHFFFAOYSA-N 10309899 BRD-K20285085-074-04-5 R406 0 88.93 Selleck S2194 R406 470.171 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC NHHQJBCNYHBUSI-UHFFFAOYSA-N 11213558 BRD-K20285085-074-03-7 R406 0 93.57 Selleck S2194 R406 470.171 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC NHHQJBCNYHBUSI-UHFFFAOYSA-N 11213558 BRD-K20285085-001-07-1 R406 0 97.72 Selleck S1533 R406 (free base) 470.171 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC NHHQJBCNYHBUSI-UHFFFAOYSA-N 11213558 BRD-K52233191-001-03-9 R547 0 95.73 MedChemEx HY-10014 R547 441.128 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N JRNJNYBQQYBCLE-UHFFFAOYSA-N 6918852 BRD-K52233191-001-02-4 R547 0 95.54 Selleck S2688 R547 441.128 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N JRNJNYBQQYBCLE-UHFFFAOYSA-N 6918852 BRD-K01826765-236-11-9 rabeprazole 0 93.26 Sigma MFCD02092688 sodium 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide 382.12 COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C |r| YREYEVIYCVEVJK-RUZDIDTESA-N 9906855 BRD-K01826765-236-09-9 rabeprazole 0 53.03 MicroSource 1505943 RABEPRAZOLE SODIUM 382.12 COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C |r| YREYEVIYCVEVJK-RUZDIDTESA-N 9906855 BRD-K01826765-236-10-9 rabeprazole 0 98.9 MedChemEx HY-B0656A Rabeprazole (sodium) 382.12 COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C |r| YREYEVIYCVEVJK-RUZDIDTESA-N 9906855 BRD-K01826765-236-12-9 rabeprazole 0 85.74 Sigma SML0476 sodium 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide 382.12 COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C |r| YREYEVIYCVEVJK-RUZDIDTESA-N 9906855 BRD-A11069678-001-01-8 rac-BHFF 0 0 Tocris 3313 rac BHFF 330.144 "CC(C)(C)c1cc2c(OC(=O)[C@@]2(O)C(F)(F)F)c(c1)C(C)(C)C |&1:11,r|" RVNOANDLZIIFHB-MRXNPFEDSA-N 7023847 BRD-A11069678-001-02-9 rac-BHFF 0 42.99 Tocris 3313 rac BHFF 330.144 "CC(C)(C)c1cc2c(OC(=O)[C@@]2(O)C(F)(F)F)c(c1)C(C)(C)C |&1:11,r|" RVNOANDLZIIFHB-MRXNPFEDSA-N 7023847 BRD-A08187463-001-12-9 racecadotril 0 99.4 MicroSource 1502331 RACECADOTRIL 385.135 "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 |&1:5,r|" ODUOJXZPIYUATO-LJQANCHMSA-N 60561 BRD-A08187463-001-14-9 racecadotril 0 96.23 MedChemEx HY-17399 Racecadotril 385.135 "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 |&1:5,r|" ODUOJXZPIYUATO-LJQANCHMSA-N 60561 BRD-A08187463-001-11-1 racecadotril 0 97.52 Selleck S2503 Racecadotril 385.135 "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 |&1:5,r|" ODUOJXZPIYUATO-LJQANCHMSA-N 60561 BRD-K04111260-001-12-6 raclopride 0 96.6 Tocris 1810 Raclopride 346.085 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC WAOQONBSWFLFPE-VIFPVBQESA-N 3033769 BRD-K04111260-001-10-0 raclopride 0 93.34 Tocris 1810 Raclopride 346.085 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC WAOQONBSWFLFPE-VIFPVBQESA-N 3033769 BRD-K01825837-003-02-9 ractopamine 0 93.86 Tocris 5252 Ractopamine hydrochloride 301.168 "C[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1 |&1:1,&2:13,r|" YJQZYXCXBBCEAQ-SCLBCKFNSA-N 9862660 BRD-K00003169-001-01-9 RAD140 0 96.01 MedChemEx HY-14383 RAD140 393.099 [H][C@@](C)(O)[C@@]([H])(Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N XMBUPPIEVAFYHO-KPZWWZAWSA-N 44200882 BRD-K13394247-003-01-4 radafaxine 0 92.33 MedChemEx HY-17590 Radafaxine (hydrochloride) 255.103 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 RCOBKSKAZMVBHT-TVQRCGJNSA-N 9795056 BRD-K84683831-001-01-0 radezolid 0 94.62 MedChemEx HY-14800 Radezolid 438.182 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccc(CNCc2cn[nH]n2)cc1 BTTNOGHPGJANSW-IBGZPJMESA-N 11224409 BRD-K84683831-001-02-9 radezolid 0 92.25 MedChemEx HY-14800 Radezolid 438.182 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccc(CNCc2cn[nH]n2)cc1 BTTNOGHPGJANSW-IBGZPJMESA-N 11224409 BRD-K00005328-001-01-9 radiprodil 0 97.93 MedChemEx HY-14777 Radiprodil 397.144 Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1 GKGRZLGAQZPEHO-UHFFFAOYSA-N 10200813 BRD-K00004716-001-01-9 radotinib 0 95.11 Adooq A13029 IY-5511 530.179 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cnccn3)c2)cc(c1)C(F)(F)F DUPWHXBITIZIKZ-UHFFFAOYSA-N 16063245 BRD-K93123848-001-06-9 RAF265 0 98.52 Tocris 6015 RAF 265 518.129 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 YABJJWZLRMPFSI-UHFFFAOYSA-N 11656518 BRD-K93123848-001-04-1 RAF265 0 94.35 Selleck S2161 RAF265 (CHIR-265) 518.129 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 YABJJWZLRMPFSI-UHFFFAOYSA-N 11656518 BRD-K00010389-001-01-9 RAF709 0 96.68 MedChemEx HY-100510 RAF709 542.214 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 FYNMINFUAIDIFL-UHFFFAOYSA-N 90408826 BRD-K00003227-001-01-9 ralinepag 0 91.2 MedChemEx HY-16751 Ralinepag 431.15 OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r| NPDKXVKJRHPDQT-IYARVYRRSA-N BRD-K63828191-003-34-7 raloxifene 0 95.46 MicroSource 1505622 RALOXIFENE HYDROCHLORIDE 473.166 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 GZUITABIAKMVPG-UHFFFAOYSA-N 5035 BRD-K63828191-003-35-4 raloxifene 0 97.6 Tocris 2280 Raloxifene hydrochloride 473.166 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 GZUITABIAKMVPG-UHFFFAOYSA-N 5035 BRD-K63828191-003-33-9 raloxifene 0 95.52 Tocris 2280 Raloxifene hydrochloride 473.166 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 GZUITABIAKMVPG-UHFFFAOYSA-N 5035 BRD-K63828191-003-32-1 raloxifene 0 98.21 Selleck S1227 Raloxifene HCl 473.166 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 GZUITABIAKMVPG-UHFFFAOYSA-N 5035 BRD-K05658747-001-02-9 raltegravir 0 92.9 Selleck S2005 Raltegravir (MK-0518) 444.156 Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C CZFFBEXEKNGXKS-UHFFFAOYSA-N 54671008 BRD-K05658747-001-03-7 raltegravir 0 94.8 Selleck S2005 Raltegravir (MK-0518) 444.156 Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C CZFFBEXEKNGXKS-UHFFFAOYSA-N 54671008 BRD-K08151102-001-11-9 raltitrexed 0 87.83 MedChemEx HY-10821 Raltitrexed 458.126 CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O IVTVGDXNLFLDRM-HNNXBMFYSA-N 135400182 BRD-K08151102-001-05-9 raltitrexed 0 93.68 Selleck S1192 Raltitrexed (Tomudex) 458.126 CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O IVTVGDXNLFLDRM-HNNXBMFYSA-N 135400182 BRD-K08151102-001-06-9 raltitrexed 0 83.63 Selleck S1192 Raltitrexed 458.126 CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O IVTVGDXNLFLDRM-HNNXBMFYSA-N 135400182 BRD-K08586861-001-01-1 ramatroban 0 97.83 MedChemEx HY-B0745 Ramatroban 416.121 OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 LDXDSHIEDAPSSA-OAHLLOKOSA-N 123879 BRD-K08586861-001-02-9 ramatroban 0 97.09 Tocris 2732 BAY-u 3405 416.121 OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 LDXDSHIEDAPSSA-OAHLLOKOSA-N 123879 BRD-K28761891-001-10-1 ramelteon 0 98.49 MicroSource 1505817 RAMELTEON 259.157 CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 YLXDSYKOBKBWJQ-LBPRGKRZSA-N 208902 BRD-K28761891-001-09-3 ramelteon 0 90.4 Selleck S1259 Ramelteon 259.157 CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 YLXDSYKOBKBWJQ-LBPRGKRZSA-N 208902 BRD-K85333151-001-01-3 ramifenazone 0 75.76 Key KS-5044 "4-(isopropylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" 245.153 CC(C)Nc1c(C)n(C)n(-c2ccccc2)c1=O XOZLRRYPUKAKMU-UHFFFAOYSA-N 5037 BRD-K85333151-003-13-4 ramifenazone 0 80.52 MicroSource 1503822 RAMIFENAZONE 245.153 CC(C)Nc1c(C)n(C)n(-c2ccccc2)c1=O XOZLRRYPUKAKMU-UHFFFAOYSA-N 5037 BRD-K89348303-001-14-7 ramipril 0 98.06 MicroSource 1505214 RAMIPRIL 416.231 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O HDACQVRGBOVJII-JBDAPHQKSA-N 6992028 BRD-K89348303-001-16-2 ramipril 0 94.1 Tocris 5250 Ramipril 416.231 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O HDACQVRGBOVJII-JBDAPHQKSA-N 6992028 BRD-K89348303-001-18-9 ramipril 0 95.63 Tocris 5250 Ramipril 416.231 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O HDACQVRGBOVJII-JBDAPHQKSA-N 6992028 BRD-K89348303-001-17-0 ramipril 0 96.79 Selleck S1793 Ramipril 416.231 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O HDACQVRGBOVJII-JBDAPHQKSA-N 6992028 BRD-K01296542-001-01-1 BRD-K85046107-003-03-9 ramosetron 0 98.28 MedChemEx HY-B0595 Ramosetron (Hydrochloride) 279.137 Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 NTHPAPBPFQJABD-LLVKDONJSA-N 135418340 BRD-K85046107-003-01-2 ramosetron 0 99.58 MedChemEx HY-B0595 Ramosetron (Hydrochloride) 279.137 Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 NTHPAPBPFQJABD-LLVKDONJSA-N 135418340 BRD-K50489389-001-01-8 ranirestat 0 96.29 MedChemEx HY-15314 Ranirestat 418.992 Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O QCVNMNYRNIMDKV-QGZVFWFLSA-N 153948 BRD-K30816563-003-03-9 ranitidine 0 87.43 Tocris 1967 Ranitidine hydrochloride 314.141 CN=C(C[N+]([O-])=O)NCCSCc1ccc(CN(C)C)o1 SYNOVMDJYWJCON-UHFFFAOYSA-N 9883333 BRD-K01825102-300-04-9 ranolazine 0 95.47 Tocris 3118 Ranolazine dihydrochloride 499.2 COc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 |&1:10| XKLMZUWKNUAPSZ-FQEVSTJZSA-N 13560750 BRD-K01825102-300-03-9 ranolazine 0 98.05 Selleck S1425 Ranolazine 2HCl 499.2 COc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 |&1:10| XKLMZUWKNUAPSZ-FQEVSTJZSA-N 13560750 BRD-K02206208-001-01-4 rapastinel 0 0 MedChemEx HY-16728 Rapastinel 413.227 C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O GIBQQARAXHVEGD-BSOLPCOYSA-N 14539800 BRD-K58114536-066-03-5 rasagiline 0 82.52 Tocris 4308 Rasagiline mesylate 171.105 C#CCN[C@@H]1CCc2ccccc12 RUOKEQAAGRXIBM-GFCCVEGCSA-N 3052776 BRD-K58114536-066-04-3 rasagiline 0 0 Selleck S2102 Rasagiline Mesylate 171.105 C#CCN[C@@H]1CCc2ccccc12 RUOKEQAAGRXIBM-GFCCVEGCSA-N 3052776 BRD-K58826770-066-01-3 BRD-K58114536-001-01-6 rasagiline 0 97.01 MicroSource 1502333 RASAGILINE 171.105 C#CCN[C@@H]1CCc2ccccc12 RUOKEQAAGRXIBM-GFCCVEGCSA-N 3052776 BRD-K58114536-066-02-7 rasagiline 0 98.6 Selleck S2102 Rasagiline mesylate 171.105 C#CCN[C@@H]1CCc2ccccc12 RUOKEQAAGRXIBM-GFCCVEGCSA-N 3052776 BRD-K77474816-003-14-1 rauwolscine 0 87.99 Tocris 891 Rauwolscine hydrochloride 354.194 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-DIRVCLHFSA-N 643606 BRD-A65053077-003-01-0 BRD-K77474816-003-15-9 rauwolscine 0 93.77 Tocris 891 Rauwolscine hydrochloride 354.194 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-DIRVCLHFSA-N 643606 BRD-K77474816-003-13-3 rauwolscine 0 88.44 Tocris 891 Rauwolscine hydrochloride 354.194 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-DIRVCLHFSA-N 643606 BRD-K86309810-001-02-9 ravoxertinib 0 97.32 MedChemEx HY-15947 Ravoxertinib 440.116 Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 RZUOCXOYPYGSKL-GOSISDBHSA-N 71727581 BRD-K86309810-001-01-5 ravoxertinib 0 98.38 Adooq A13420 (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one 440.116 Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 RZUOCXOYPYGSKL-GOSISDBHSA-N 71727581 BRD-K03503561-001-01-4 ravuconazole 0 98.93 Cayman 18750 "4-{2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-4-yl}benzonitrile" 437.112 C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F OPAHEYNNJWPQPX-RCDICMHDSA-N 467825 BRD-A67036568-001-02-1 RBC8 0 18.72 Tocris 5411 RBC8 424.154 "COc1ccc(OC)c(c1)[C@@H]1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc2ccccc2c1 |&1:10,r|" RFEAEBNMNYRJFD-VGAJERRHSA-N BRD-A67036568-001-03-9 RBC8 0 84.72 MedChemEx HY-12873 RBC8 424.154 "COc1ccc(OC)c(c1)[C@@H]1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc2ccccc2c1 |&1:10,r|" RFEAEBNMNYRJFD-VGAJERRHSA-N BRD-A67036568-001-01-3 RBC8 0 76.21 MedChemEx HY-12873 RBC8 424.154 "COc1ccc(OC)c(c1)[C@@H]1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc2ccccc2c1 |&1:10,r|" RFEAEBNMNYRJFD-VGAJERRHSA-N BRD-A15909516-001-07-4 rebamipide 0 98.27 MicroSource 1505310 REBAMIPIDE 370.072 "OC(=O)[C@@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 |&1:3,r|" ALLWOAVDORUJLA-MRXNPFEDSA-N 969464 BRD-A15909516-001-09-9 rebamipide 0 96.85 MedChemEx HY-B0360 Rebamipide 370.072 "OC(=O)[C@@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 |&1:3,r|" ALLWOAVDORUJLA-MRXNPFEDSA-N 969464 BRD-A15909516-001-06-6 rebamipide 0 98.72 Selleck S2032 Rebamipide 370.072 "OC(=O)[C@@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 |&1:3,r|" ALLWOAVDORUJLA-MRXNPFEDSA-N 969464 BRD-K76694128-001-06-8 rebastinib 0 74.6 MedChemEx HY-13024 DCC-2036 553.224 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1 WVXNSAVVKYZVOE-UHFFFAOYSA-N 25066467 BRD-K76694128-001-07-6 rebastinib 0 96.77 MedChemEx HY-13024 DCC-2036 553.224 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1 WVXNSAVVKYZVOE-UHFFFAOYSA-N 25066467 BRD-K76694128-001-05-0 rebastinib 0 84.1 Selleck S2634 DCC-2036 (Rebastinib) 553.224 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1 WVXNSAVVKYZVOE-UHFFFAOYSA-N 25066467 BRD-K76694128-001-04-3 rebastinib 0 56.43 Selleck S2634 DCC-2036 (Rebastinib) 553.224 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1 WVXNSAVVKYZVOE-UHFFFAOYSA-N 25066467 BRD-K77224738-066-02-7 reboxetine 0 96.05 Selleck S3199 313.168 "CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 |&1:10,11|" CBQGYUDMJHNJBX-RTBURBONSA-N 127151 BRD-K77224738-066-09-9 reboxetine 0 95.97 Tocris 1982 Reboxetine mesylate 313.168 "CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 |&1:10,11|" CBQGYUDMJHNJBX-RTBURBONSA-N 127151 BRD-K77224738-066-08-9 reboxetine 0 97.52 MedChemEx HY-14560C Reboxetine (mesylate) 313.168 "CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 |&1:10,11|" CBQGYUDMJHNJBX-RTBURBONSA-N 127151 BRD-K84924479-300-01-1 Rec-15/2615 0 58.81 Tocris 3284 Rec 15/2615 dihydrochloride 495.248 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C ZZMFJJDBKSYGRM-UHFFFAOYSA-N 9891980 BRD-K84924479-300-02-9 Rec-15/2615 0 62.92 Tocris 3284 Rec 15/2615 dihydrochloride 495.248 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C ZZMFJJDBKSYGRM-UHFFFAOYSA-N 9891980 BRD-K85751432-001-03-3 refametinib 0 95.47 MedChemEx HY-14691 Refametinib 572.009 COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1 RDSACQWTXKSHJT-NSHDSACASA-N 44182295 BRD-K85751432-001-04-9 refametinib 0 97.42 MedChemEx HY-14691 Refametinib 572.009 COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1 RDSACQWTXKSHJT-NSHDSACASA-N 44182295 BRD-K00003609-001-01-9 regadenoson 0 95.62 MedChemEx HY-A0168 Regadenoson 390.14 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 219024 BRD-K16730910-001-07-3 regorafenib 0 97.53 Selleck S1178 Regorafenib (BAY 73-4506) 482.077 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 FNHKPVJBJVTLMP-UHFFFAOYSA-N 11167602 BRD-K16730910-001-10-7 regorafenib 0 Selleck S1178 Regorafenib (BAY 73-4506) 482.077 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 "InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)" 11167602 BRD-K96720755-001-03-4 relcovaptan 0 97.59 Tocris 2310 SR 49059 619.095 COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl CEBYCSRFKCEUSW-NAYZPBBASA-N 60943 BRD-K96720755-001-02-6 relcovaptan 0 98.48 Tocris 2310 SR 49059 619.095 COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl CEBYCSRFKCEUSW-NAYZPBBASA-N 60943 BRD-K96720755-001-04-9 relcovaptan 0 98.37 Tocris 2310 SR 49059 619.095 COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl CEBYCSRFKCEUSW-NAYZPBBASA-N 60943 BRD-K63018010-001-01-7 relebactam 0 86.36 MedChemEx HY-16752 Relebactam 348.11 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O SMOBCLHAZXOKDQ-ZJUUUORDSA-N 44129647 BRD-K00003216-001-01-9 relugolix 0 96.9 MedChemEx HY-16474 Relugolix 623.176 CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C AOMXMOCNKJTRQP-UHFFFAOYSA-N 10348973 BRD-A36074203-003-08-9 remacemide 0 97.22 Tocris 1622 Remacemide hydrochloride 268.158 C[C@@](Cc1ccccc1)(NC(=O)CN)c1ccccc1 |&1:1| YSGASDXSLKIKOD-KRWDZBQOSA-N 760423 BRD-A36074203-003-07-6 remacemide 0 97.95 Tocris 1622 Remacemide hydrochloride 268.158 C[C@@](Cc1ccccc1)(NC(=O)CN)c1ccccc1 |&1:1| YSGASDXSLKIKOD-KRWDZBQOSA-N 760423 BRD-K00004584-001-01-9 remetinostat 0 0 MedChemEx HY-100365 Remetinostat 323.137 COC(=O)c1ccc(OC(=O)CCCCCCC(=O)NO)cc1 XDZAHHULFQIBFE-UHFFFAOYSA-N 24875489 BRD-K89413285-074-01-5 remimazolam 0 92.64 MedChemEx HY-14867A Remimazolam (benzenesulfonate) 438.069 COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc12 |t:7| CYHWMBVXXDIZNZ-KRWDZBQOSA-N 9867812 BRD-K75349868-001-03-9 remodelin 0 82.53 Tocris 5193 Remodelin 282.094 N#Cc1ccc(cc1)-c1csc(NN=C2CCCC2)n1 XAEJIFARBQJLML-UHFFFAOYSA-N 44442376 BRD-K75349868-001-01-5 remodelin 0 76.13 Tocris 5193 Remodelin 282.094 N#Cc1ccc(cc1)-c1csc(NN=C2CCCC2)n1 XAEJIFARBQJLML-UHFFFAOYSA-N 44442376 BRD-K54094468-003-12-9 remoxipride 0 94.22 Tocris 916 Remoxipride hydrochloride 370.089 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC GUJRSXAPGDDABA-NSHDSACASA-N 54477 BRD-K54094468-003-11-1 remoxipride 0 98.31 Tocris 916 Remoxipride hydrochloride 370.089 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC GUJRSXAPGDDABA-NSHDSACASA-N 54477 BRD-K82846253-001-17-0 repaglinide 0 81.04 Tocris 3805 Repaglinide 452.268 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O FAEKWTJYAYMJKF-QHCPKHFHSA-N 65981 BRD-K82846253-001-16-2 repaglinide 0 97.96 MicroSource 1506035 REPAGLINIDE 452.268 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O FAEKWTJYAYMJKF-QHCPKHFHSA-N 65981 BRD-K82846253-001-15-4 repaglinide 0 99.06 Tocris 3805 Repaglinide 452.268 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O FAEKWTJYAYMJKF-QHCPKHFHSA-N 65981 BRD-K82846253-001-14-7 repaglinide 0 98.44 Selleck S1426 Repaglinide 452.268 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O FAEKWTJYAYMJKF-QHCPKHFHSA-N 65981 BRD-K82846253-001-20-9 repaglinide 0 97.76 Tocris 3805 Repaglinide 452.268 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O FAEKWTJYAYMJKF-QHCPKHFHSA-N 65981 BRD-K58486055-001-02-7 reparixin 0 99.13 MedChemEx HY-15251 Reparixin 283.124 CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O KQDRVXQXKZXMHP-LLVKDONJSA-N 9838712 BRD-K58486055-001-03-9 reparixin 0 96.3 MedChemEx HY-15251 Reparixin 283.124 CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O KQDRVXQXKZXMHP-LLVKDONJSA-N 9838712 BRD-K00003447-001-01-9 repotrectinib 0 98.59 MedChemEx HY-103022 Repotrectinib 355.144 C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 FIKPXCOQUIZNHB-VUWPPUDQSA-N BRD-K80480517-001-04-0 repsox 0 98.05 Tocris 3742 RepSox 287.117 Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1 LBPKYPYHDKKRFS-UHFFFAOYSA-N 449054 BRD-K80480517-001-02-4 repsox 0 97.14 Selleck S7223 RepSox 287.117 Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1 LBPKYPYHDKKRFS-UHFFFAOYSA-N 449054 BRD-K80480517-001-05-9 repsox 0 97.43 Tocris 3742 RepSox 287.117 Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1 LBPKYPYHDKKRFS-UHFFFAOYSA-N 449054 BRD-K61567297-001-02-7 resatorvid 0 96.53 MedChemEx HY-11109 TAK-242 361.055 CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5| LEEIJTHMHDMWLJ-CQSZACIVSA-N 11703255 BRD-K61567297-001-01-9 resatorvid 0 94.18 MedChemEx HY-11109 TAK-242 361.055 CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5| LEEIJTHMHDMWLJ-CQSZACIVSA-N 11703255 BRD-K95921201-001-15-3 reserpine 0 87.93 Selleck S1601 Reserpine 608.273 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 5770 BRD-K95921201-001-13-8 reserpine 0 77.7 Tocris 2742 Reserpine 608.273 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 5770 BRD-K95921201-001-19-9 reserpine 0 84.43 Tocris 2742 Reserpine 608.273 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 5770 BRD-K95921201-001-12-0 reserpine 0 74.36 Selleck S1601 Reserpine 608.273 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 5770 BRD-K95921201-001-14-6 reserpine 0 88.29 MicroSource 1500526 RESERPINE 608.273 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 QEVHRUUCFGRFIF-MDEJGZGSSA-N 5770 BRD-K25970317-001-01-6 resibufogenin 0 87.34 MedChemEx HY-N0815 Resibufogenin 384.23 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@]11O[C@@H]1C[C@@H]2c1ccc(=O)oc1 ATLJNLYIJOCWJE-CWMZOUAVSA-N 6917974 BRD-K76210423-001-03-9 resiquimod 0 94.67 Tocris 4536 Resiquimod 314.174 CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O BXNMTOQRYBFHNZ-UHFFFAOYSA-N 159603 BRD-K76210423-001-02-4 resiquimod 0 96.48 Tocris 4536 Resiquimod 314.174 CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O BXNMTOQRYBFHNZ-UHFFFAOYSA-N 159603 BRD-K76210423-001-01-6 resiquimod 0 99.64 MedChemEx HY-13740 Resiquimod 314.174 CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O BXNMTOQRYBFHNZ-UHFFFAOYSA-N 159603 BRD-K00003123-001-01-9 resmetirom 0 96.94 MedChemEx HY-12216 Resmetirom 434.03 CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nnc1O FDBYIYFVSAHJLY-UHFFFAOYSA-N 15981237 BRD-K28822270-003-04-9 resminostat 0 94.62 MedChemEx HY-14718A Resminostat (hydrochloride) 349.11 CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 FECGNJPYVFEKOD-VMPITWQZSA-N 11609955 BRD-K28822270-001-01-1 resminostat 0 90.88 Selleck S2693 Resminostat 349.11 CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 FECGNJPYVFEKOD-VMPITWQZSA-N 11609955 BRD-K28822270-001-03-7 resminostat 0 91.59 Selleck S2693 Resminostat (RAS2410) 349.11 CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 FECGNJPYVFEKOD-VMPITWQZSA-N 11609955 BRD-K74190368-001-08-9 resorcinol 0 0 MedChemEx HY-B0907 Resorcinol 110.037 Oc1cccc(O)c1 GHMLBKRAJCXXBS-UHFFFAOYSA-N 5054 BRD-K74190368-001-04-3 resorcinol 0 99.52 MicroSource 1500527 RESORCINOL 110.037 Oc1cccc(O)c1 GHMLBKRAJCXXBS-UHFFFAOYSA-N 5054 BRD-K85603128-001-03-5 resorcinol-monoacetate 0 34.04 MicroSource 1503500 RESORCINOL MONOACETATE 152.047 CC(=O)Oc1cccc(O)c1 ZZPKZRHERLGEKA-UHFFFAOYSA-N 5055 BRD-K85603128-001-04-3 resorcinol-monoacetate 0 70.52 MedChemEx HY-B0894 Resorcinol (monoacetate) 152.047 CC(=O)Oc1cccc(O)c1 ZZPKZRHERLGEKA-UHFFFAOYSA-N 5055 BRD-K80738081-001-46-8 resveratrol 0 95.03 MedChemEx HY-16561 Resveratrol 228.079 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 445154 BRD-K80738081-001-47-6 resveratrol 0 83.02 Tocris 1418 Resveratrol 228.079 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 445154 BRD-K80738081-001-44-3 resveratrol 0 72.83 Selleck S1396 Resveratrol 228.079 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 445154 BRD-K80738081-001-42-7 resveratrol 0 71.47 Selleck S1396 Resveratrol 228.079 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 445154 BRD-K80738081-001-43-5 resveratrol 0 66.43 Tocris 1418 Resveratrol 228.079 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 445154 BRD-K00003118-011-01-9 retagliptin 0 90.32 MedChemEx HY-112668 Retagliptin Phosphate 464.128 COC(=O)c1nc(n2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F WIIAMRXFUJLYEF-SNVBAGLBSA-N 44193830 BRD-K33082088-001-03-3 retapamulin 0 100 Selleck S4056 Retapamulin 517.323 C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C STZYTFJPGGDRJD-NHUWBDDWSA-N BRD-K17930269-001-01-8 BRD-K67935717-003-02-8 retaspimycin 0 0 MedChemEx HY-10210 Retaspimycin (Hydrochloride) 587.321 "CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC=C |c:17,t:15,28|" OAKGNIRUXAZDQF-FBDSWQSESA-N 25169033 BRD-K67935717-003-01-0 retaspimycin 0 0 MedChemEx HY-10210 Retaspimycin (Hydrochloride) 587.321 "CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC=C |c:17,t:15,28|" OAKGNIRUXAZDQF-FBDSWQSESA-N 25169033 BRD-K79884267-001-01-4 retinaldehyde 0 96.68 SantaCruz sc-210778A 284.214 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O |c:9| NCYCYZXNIZJOKI-OVSJKPMPSA-N 638015 BRD-K22429181-001-15-9 retinol 0 0 Sigma MFCD00001552 retinol 286.23 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:12| FPIPGXGPPPQFEQ-OVSJKPMPSA-N 445354 BRD-K22429181-001-14-2 retinol 0 0 MicroSource 1501203 RETINOL 286.23 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:12| FPIPGXGPPPQFEQ-OVSJKPMPSA-N 445354 BRD-K65331431-001-06-2 retinyl-acetate 0 0 MicroSource 1503051 RETINYL ACETATE 328.24 CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:15| QGNJRVVDBSJHIZ-QHLGVNSISA-N 638034 BRD-K65331431-001-08-8 retinyl-acetate 0 0 Sigma 95140 O~15~-acetylretinol 328.24 CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:15| QGNJRVVDBSJHIZ-QHLGVNSISA-N 638034 BRD-K80595380-001-07-2 retinyl-palmitate 0 0 MicroSource 1503604 RETINYL PALMITATE 524.459 CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:29| VYGQUTWHTHXGQB-FFHKNEKCSA-N 5280531 BRD-K80595380-001-09-8 retinyl-palmitate 0 0 Sigma R1512 O~15~-palmitoylretinol 524.459 CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:29| VYGQUTWHTHXGQB-FFHKNEKCSA-N 5280531 BRD-A68281735-001-19-9 REV-5901 0 96.91 Sigma MFCD00211150 1-[3-(2-quinolinylmethoxy)phenyl]-1-hexanol 335.189 "CCCCC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 |&1:5,r|" JRLOEMCOOZSCQP-JOCHJYFZSA-N 40428144 BRD-A68281735-001-18-6 REV-5901 0 94.05 Enzo EI209 REV-5901 335.189 "CCCCC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 |&1:5,r|" JRLOEMCOOZSCQP-JOCHJYFZSA-N 40428144 BRD-A51497544-001-01-4 revaprazan 0 0 AvaChem 2997 "N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine" 362.191 "C[C@H]1N(CCc2ccccc12)c1nc(Nc2ccc(F)cc2)nc(C)c1C |&1:1,r|" LECZXZOBEZITCL-MRXNPFEDSA-N 40462255 BRD-K00003198-001-01-9 revefenacin 0 97.72 MedChemEx HY-15851 Revefenacin 597.332 CN(CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)c1ccc(CN2CCC(CC2)C(N)=O)cc1 FYDWDCIFZSGNBU-UHFFFAOYSA-N 11753673 BRD-K79700588-001-09-7 reversan 0 96.72 Tocris 3722 Reversan 441.216 O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1 JTRXWCLQFAZHGP-UHFFFAOYSA-N 2298706 BRD-K79700588-001-10-9 reversan 0 96.48 Tocris 3722 Reversan 441.216 O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1 JTRXWCLQFAZHGP-UHFFFAOYSA-N 2298706 BRD-K77286328-001-03-7 reversine 0 83.16 MedChemEx HY-14711 Reversine 393.228 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 ZFLJHSQHILSNCM-UHFFFAOYSA-N 210332 BRD-K77286328-001-06-0 reversine 0 82.09 MedChemEx HY-14711 Reversine 393.228 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 ZFLJHSQHILSNCM-UHFFFAOYSA-N 210332 BRD-K00005343-001-01-9 reynoutrin 0 100 MedChemEx HY-N1354 Reynoutrin 434.085 O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O PZZRDJXEMZMZFD-BWYUNELBSA-N 5320861 BRD-K89391146-001-09-8 RG108 0 98.82 Tocris 3295 RG 108 334.095 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O HPTXLHAHLXOAKV-INIZCTEOSA-N 702558 BRD-K89391146-001-12-9 RG108 0 96.47 Tocris 3295 RG 108 334.095 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O HPTXLHAHLXOAKV-INIZCTEOSA-N 702558 BRD-K89391146-001-08-0 RG108 0 95.83 Selleck S2821 RG108 334.095 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O HPTXLHAHLXOAKV-INIZCTEOSA-N 702558 BRD-K32942258-001-04-1 RG1530 0 39.97 MedChemEx HY-13737 R1530 356.084 "COc1cc2N=C3NN=C(C)C3N=C(c3ccccc3Cl)c2cc1F |t:5,8,13|" XXAKBYBCWYYQTL-UHFFFAOYSA-N BRD-K32942258-001-02-5 RG1530 0 58.63 MedChemEx HY-13737 R1530 356.084 "COc1cc2N=C3NN=C(C)C3N=C(c3ccccc3Cl)c2cc1F |t:5,8,13|" XXAKBYBCWYYQTL-UHFFFAOYSA-N BRD-K32942258-001-01-7 RG1530 0 2.25 MedChemEx HY-13737 R1530 356.084 "COc1cc2N=C3NN=C(C)C3N=C(c3ccccc3Cl)c2cc1F |t:5,8,13|" XXAKBYBCWYYQTL-UHFFFAOYSA-N BRD-K32942258-001-03-3 RG1530 0 5.27 Tocris 4885 R 1530 356.084 "COc1cc2N=C3NN=C(C)C3N=C(c3ccccc3Cl)c2cc1F |t:5,8,13|" XXAKBYBCWYYQTL-UHFFFAOYSA-N BRD-K02389548-001-04-1 RG2833 0 97.98 MedChemEx HY-16425 RG2833 339.195 Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N VOPDXHFYDJAYNS-UHFFFAOYSA-N 56654642 BRD-K02389548-001-02-5 RG2833 0 91.76 Selleck S7292 RG2833 (RGFP109) 339.195 Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N VOPDXHFYDJAYNS-UHFFFAOYSA-N 56654642 BRD-K22024824-001-03-7 RG4733 0 98.56 MedChemEx HY-11102 RO4929097 469.142 CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O OJPLJFIFUQPSJR-INIZCTEOSA-N 49867930 BRD-K22024824-001-04-9 RG4733 0 96.37 MedChemEx HY-11102 RO4929097 469.142 CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O OJPLJFIFUQPSJR-INIZCTEOSA-N 49867930 BRD-K13178532-001-01-9 RG7112 0 98.54 Selleck S7030 RG-7112 726.277 CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |t:10| QBGKPEROWUKSBK-QPPIDDCLSA-N 57406853 BRD-K00004590-001-01-9 RG7800 0 75.37 MedChemEx HY-101792 RG7800 416.232 CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1 GYFRQCMDLBNZSF-UHFFFAOYSA-N 89741565 BRD-K00004573-001-01-9 RG7834 0 94.87 Astatech 41511 "(S)-6-ISOPROPYL-10-METHOXY-9-(3-METHOXYPROPOXY)-2-OXO-6,7-DIHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE-3-CARBOXYLIC ACID" 401.184 COCCCOc1cc2C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC KBXLMOYQNDMHQT-KRWDZBQOSA-N 134305955 BRD-K20986415-001-02-6 RGB-286638 0 92.93 MedChemEx HY-15504A RGB-286638 (free base) 545.275 COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 XLSYZSRXVVCHLS-UHFFFAOYSA-N 11285002 BRD-K20986415-001-01-8 RGB-286638 0 93.17 MedChemEx HY-15504A RGB-286638 (free base) 545.275 COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 XLSYZSRXVVCHLS-UHFFFAOYSA-N 11285002 BRD-K61688984-001-02-9 RGFP966 0 92.17 Selleck S7229 RGFP966 362.154 Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1 BLVQHYHDYFTPDV-VCABWLAWSA-N 56650312 BRD-K00004597-001-01-9 RGX-104 0 94.52 MedChemEx HY-111498A RGX-104 595.21 C[C@H](CCOc1cccc(CC(O)=O)c1)N(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F ZLJZDYOBXVOTSA-XMMPIXPASA-N 10218693 BRD-K56047318-001-07-1 RHC-80267 0 92.28 Tocris 1842 RHC 80267 394.258 O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1 RXSVYGIGWRDVQC-UHFFFAOYSA-N 5063 BRD-K56047318-001-08-9 RHC-80267 0 87.32 Tocris 1842 RHC 80267 394.258 O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1 RXSVYGIGWRDVQC-UHFFFAOYSA-N 5063 BRD-K56047318-001-06-3 RHC-80267 0 95.7 Tocris 1842 RHC 80267 394.258 O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1 RXSVYGIGWRDVQC-UHFFFAOYSA-N 5063 BRD-K27335680-001-11-9 rhein 0 94.68 MedChemEx HY-N0105 Rhein 284.032 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 FCDLCPWAQCPTKC-UHFFFAOYSA-N 10168 BRD-K27335680-001-10-0 rhein 0 97.12 Selleck S2400 Rheic Acid 284.032 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 FCDLCPWAQCPTKC-UHFFFAOYSA-N 10168 BRD-K67772619-001-05-1 rheochrysidin 0 86.96 Selleck S2395 Rheochrysidin 284.068 COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 FFWOKTFYGVYKIR-UHFFFAOYSA-N 10639 BRD-K67772619-001-06-9 rheochrysidin 0 85.17 Selleck S2395 PHYSCION 284.068 COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 FFWOKTFYGVYKIR-UHFFFAOYSA-N 10639 BRD-K47169076-003-01-6 rhodamine-123 0 93.16 Cayman 16672 "3,6-diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium chloride" 345.124 COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12 ZWODABSNRKVFCK-UHFFFAOYSA-N BRD-K79555887-001-02-9 RI-1 0 87.17 Tocris 6168 RI 1 359.984 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1| MWSUIZKGNWELRF-UHFFFAOYSA-N 1074953 BRD-K79555887-001-01-0 RI-1 0 90.39 Selleck S8077 RI-1 359.984 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1| MWSUIZKGNWELRF-UHFFFAOYSA-N 1074953 BRD-K60369935-001-19-9 ribavirin 0 100 Tocris 4501 Ribavirin 244.081 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O IWUCXVSUMQZMFG-AFCXAGJDSA-N 37542 BRD-K60369935-001-17-5 ribavirin 0 99.13 Tocris 4501 Ribavirin 244.081 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O IWUCXVSUMQZMFG-AFCXAGJDSA-N 37542 BRD-K60369935-001-15-9 ribavirin 0 99.17 MicroSource 1503938 RIBAVIRIN 244.081 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O IWUCXVSUMQZMFG-AFCXAGJDSA-N 37542 BRD-K60369935-001-18-3 ribavirin 0 100 Selleck S2504 Ribavirin 244.081 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O IWUCXVSUMQZMFG-AFCXAGJDSA-N 37542 BRD-K94397152-001-01-6 BRD-K49313711-001-06-9 ribitol 0 100 MedChemEx HY-100582 Ribitol 152.068 OC[C@H](O)[C@H](O)[C@H](O)CO HEBKCHPVOIAQTA-ZXFHETKHSA-N BRD-K49313711-001-05-4 ribitol 0 100 Selleck S2612 Ribitol 152.068 OC[C@H](O)[C@H](O)[C@H](O)CO HEBKCHPVOIAQTA-ZXFHETKHSA-N BRD-K36788280-001-04-6 ribociclib 0 93.42 MedChemEx HY-15777 LEE011 434.254 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 RHXHGRAEPCAFML-UHFFFAOYSA-N 44631912 BRD-K36788280-001-01-2 ribociclib 0 82.54 Selleck S7440 LEE011 434.254 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 RHXHGRAEPCAFML-UHFFFAOYSA-N 44631912 BRD-K36788280-001-03-8 ribociclib 0 80.51 Selleck S7440 Ribociclib (LEE011) 434.254 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 RHXHGRAEPCAFML-UHFFFAOYSA-N 44631912 BRD-K92760278-001-07-3 riboflavin 0 91.09 Selleck S2540 Riboflavin (Vitamin B2) 376.138 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C AUNGANRZJHBGPY-SCRDCRAPSA-N 493570 BRD-K92760278-001-06-5 riboflavin 0 34.72 Selleck S2540 Riboflavin (Vitamin B2) 376.138 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C AUNGANRZJHBGPY-SCRDCRAPSA-N 493570 BRD-K92760278-001-09-9 riboflavin 0 64.12 MedChemEx HY-B0456 Riboflavin 376.138 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C AUNGANRZJHBGPY-SCRDCRAPSA-N 493570 BRD-K92760278-001-08-1 riboflavin 0 87.4 Selleck S2540 Riboflavin (Vitamin B2) 376.138 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C AUNGANRZJHBGPY-SCRDCRAPSA-N 493570 BRD-K09229706-236-02-6 riboflavin-5-phosphate-sodium 0 10.28 MedChemEx HY-B0964 Riboflavin (phosphate sodium) 456.105 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C FVTCRASFADXXNN-SCRDCRAPSA-N 643976 BRD-K09229706-236-01-8 riboflavin-5-phosphate-sodium 0 0 Sigma MFCD00065362 "sodium 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-(hydroxyphosphinato)-D-ribitol" 456.105 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C FVTCRASFADXXNN-SCRDCRAPSA-N 643976 BRD-K09229706-325-01-9 riboflavin-5-phosphate-sodium 0 70.1 Sigma R7774-10G Riboflavin 5'-phosphate sodium salt hydrate 456.105 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C FVTCRASFADXXNN-SCRDCRAPSA-N 643976 BRD-K74227494-001-03-9 riboflavin-tetrabutyrate 0 92.24 MedChemEx HY-B2239 Riboflavin Tetrabutyrate 656.306 CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O)OC(=O)CCC MJNIWUJSIGSWKK-BBANNHEPSA-N 92140 BRD-K55188888-065-01-2 ribostamycin 0 73.8 MedChemEx HY-B1228 Ribostamycin (sulfate) 454.227 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O NSKGQURZWSPSBC-VVPCINPTSA-N 33042 BRD-K55188888-065-02-9 ribostamycin 0 0 MedChemEx HY-B1228 Ribostamycin (sulfate) 454.227 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O NSKGQURZWSPSBC-VVPCINPTSA-N 33042 BRD-K01826536-065-03-9 ribostamycin-sulfate 0 0 MicroSource 1503939 RIBOSTAMYCIN SULFATE 552.195 "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |a:2,4,6,7,10,12,16,18,21,23,25,27,29,&1:14|" NSKGQURZWSPSBC-NZJHKTKDSA-N BRD-K33682646-001-02-7 ricinoleic-acid 0 51.56 TCI R0027 298.251 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O WBHHMMIMDMUBKC-QJWNTBNXSA-N 643684 BRD-K77897005-001-02-9 ridinilazole 0 97.14 MedChemEx HY-16753 Ridinilazole 388.144 c1cc(ccn1)-c1nc2ccc(cc2[nH]1)-c1ccc2nc([nH]c2c1)-c1ccncc1 UHQFBTAJFNVZIV-UHFFFAOYSA-N 16659285 BRD-K31484631-001-12-9 rifabutin 0 96.93 MedChemEx HY-17025 Rifabutin 846.442 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C4=NC5(CCN(CC(C)C)CC5)NC4=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C |c:36,t:3,15,30,38|" ATEBXHFBFRCZMA-DVAZEERGSA-N BRD-K01507359-001-23-7 rifampin 0 77.49 Selleck S1764 Rifampin 822.405 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:33,t:3,35|" JQXXHWHPUNPDRT-YOPQJBRCSA-N 135925261 BRD-K66218091-001-01-2 BRD-K01507359-001-24-9 rifampin 0 87.66 Tocris 4121 Rifampicin 822.405 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:33,t:3,35|" JQXXHWHPUNPDRT-YOPQJBRCSA-N 135925261 BRD-K01507359-001-22-9 rifampin 0 89.01 Selleck S1764 Rifampin 822.405 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:33,t:3,35|" JQXXHWHPUNPDRT-YOPQJBRCSA-N 135925261 BRD-K56156786-001-01-6 BRD-K38512030-001-01-7 rifamycin 0 2.86 AvaChem 2841 697.31 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:23,t:3,25|" HJYYPODYNSCCOU-WURVRSKISA-N 5282048 BRD-K66048476-236-01-0 rifamycin-sv 0 96.94 Selleck S5054 697.31 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:23,t:3,25|" HJYYPODYNSCCOU-WURVRSKISA-N 5282048 BRD-K28346421-001-08-4 rifapentine 0 31.22 Selleck S1760 Rifapentine 876.452 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(CC4)C4CCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:38,t:3,40|" WDZCUPBHRAEYDL-NAFQJNKLSA-N 136238508 BRD-K55889443-001-03-4 BRD-K28346421-001-07-6 rifapentine 0 74.29 MedChemEx HY-B0269 Rifapentine 876.452 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(CC4)C4CCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:38,t:3,40|" WDZCUPBHRAEYDL-NAFQJNKLSA-N 136238508 BRD-K42569090-001-01-8 BRD-K28346421-001-06-8 rifapentine 0 71.91 Selleck S1760 Rifapentine 876.452 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(CC4)C4CCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:38,t:3,40|" WDZCUPBHRAEYDL-NAFQJNKLSA-N 136238508 BRD-K62325629-001-01-0 BRD-K53484294-001-03-9 rifaximin 0 98.57 Tocris 5359 Rifaximin 785.352 "CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:32,t:3,34|" NZCRJKRKKOLAOJ-LGPAXTBISA-N 46783403 BRD-K55187425-236-06-0 rigosertib 0 71.01 Selleck S1362 Rigosertib (ON-01910) 451.13 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 OWBFCJROIKNMGD-BQYQJAHWSA-N 6918736 BRD-K55187425-236-07-8 rigosertib 0 94.32 MedChemEx HY-12037 Rigosertib (sodium) 451.13 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 OWBFCJROIKNMGD-BQYQJAHWSA-N 6918736 BRD-K55187425-236-05-2 rigosertib 0 81.46 Selleck S1362 Rigosertib (ON-01910) 451.13 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 OWBFCJROIKNMGD-BQYQJAHWSA-N 6918736 BRD-K00004676-001-01-9 rilapladib 0 96.22 MedChemEx HY-102004 "2-(2-((2,3-difluorobenzyl)thio)-4-oxoquinolin-1(4H)-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)acetamide" 735.255 COCCN1CCC(CC1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc12 NNBGCSGCRSCFEA-UHFFFAOYSA-N 9918381 BRD-K01638814-051-16-8 rilmenidine 0 0 Tocris 790 Rilmenidine hemifumarate 180.126 C1CC1C(NC1=NCCO1)C1CC1 |t:6| CQXADFVORZEARL-UHFFFAOYSA-N 68712 BRD-M62162320-051-04-6 BRD-K01638814-011-01-4 rilmenidine 0 88.74 Selleck S7548 "phosphoric acid compound with N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (1:1)" 180.126 C1CC1C(NC1=NCCO1)C1CC1 |t:6| CQXADFVORZEARL-UHFFFAOYSA-N 68712 BRD-K06240250-001-02-9 rilpivirine 0 92.64 MedChemEx HY-10574 Rilpivirine 366.159 Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 YIBOMRUWOWDFLG-ONEGZZNKSA-N 6451164 BRD-K06240250-001-01-6 rilpivirine 0 93.71 Selleck S7303 Rilpivirine 366.159 Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 YIBOMRUWOWDFLG-ONEGZZNKSA-N 6451164 BRD-K21283037-003-11-2 riluzole 0 98.83 Tocris 768 Riluzole 234.007 Nc1nc2ccc(OC(F)(F)F)cc2s1 FTALBRSUTCGOEG-UHFFFAOYSA-N 5070 BRD-K21283037-001-21-5 riluzole 0 99.88 MicroSource 1505348 RILUZOLE 234.007 Nc1nc2ccc(OC(F)(F)F)cc2s1 FTALBRSUTCGOEG-UHFFFAOYSA-N 5070 BRD-K21283037-001-20-7 riluzole 0 99.07 Selleck S1614 Riluzole 234.007 Nc1nc2ccc(OC(F)(F)F)cc2s1 FTALBRSUTCGOEG-UHFFFAOYSA-N 5070 BRD-K01825586-001-02-9 rimantadine 0 100 Selleck S1964 Rimantadine 179.167 "C[C@@H](N)C12CC3CC(CC(C3)C1)C2 |&1:1,r|" UBCHPRBFMUDMNC-AAWJQDODSA-N 7048786 BRD-K01825586-001-04-9 rimantadine 0 100 Selleck S1964 Rimantadine (Flumadine) 179.167 "C[C@@H](N)C12CC3CC(CC(C3)C1)C2 |&1:1,r|" UBCHPRBFMUDMNC-AAWJQDODSA-N 7048786 BRD-K70490179-300-01-2 rimcazole 0 96.68 Tocris 1497 Rimcazole dihydrochloride 321.22 C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 GUDVQJXODNJRIJ-CALCHBBNSA-N 53389 BRD-K55781385-001-01-7 rimegepant 0 95.12 MedChemEx HY-15498 BMS-927711 534.219 N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F KRNAOFGYEFKHPB-ANJVHQHFSA-N 51049968 BRD-K55781385-001-02-9 rimegepant 0 94.31 MedChemEx HY-15498 Rimegepant 534.219 N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F KRNAOFGYEFKHPB-ANJVHQHFSA-N 51049968 BRD-K00004645-001-01-9 rimeporide 0 94.96 Sigma SML1828 "N-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide" 333.045 Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O GROMEQPXDKRRIE-UHFFFAOYSA-N 9799487 BRD-K31627533-001-09-5 rimexolone 0 97.27 Prestwick Prestw-1020 Rimexolone 370.251 "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |c:17,t:13|" QTTRZHGPGKRAFB-OOKHYKNYSA-N 5311412 BRD-K31627533-001-10-3 rimexolone 0 94.62 USP 1604600 Rimexolone 370.251 "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |c:17,t:13|" QTTRZHGPGKRAFB-OOKHYKNYSA-N 5311412 BRD-K13296708-001-05-8 rimonabant 0 97.2 Selleck S3021 Rimonabant 462.078 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 JZCPYUJPEARBJL-UHFFFAOYSA-N 104850 BRD-K13296708-003-06-9 rimonabant 0 96.46 MedChemEx HY-14137 Rimonabant (Hydrochloride) 462.078 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 JZCPYUJPEARBJL-UHFFFAOYSA-N 104850 BRD-K84783599-001-01-0 riociguat 0 99.03 MedChemEx HY-14779 Riociguat 422.162 COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 WXXSNCNJFUAIDG-UHFFFAOYSA-N 11304743 BRD-K84783599-001-02-9 riociguat 0 93.06 MedChemEx HY-14779 Riociguat 422.162 COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 WXXSNCNJFUAIDG-UHFFFAOYSA-N 11304743 BRD-K36379990-001-01-1 riodipine 0 97.87 Sigma MFCD00728312 "dimethyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate" 367.123 "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1OC(F)F)C(=O)OC |c:4,9|" AZVFIZVKGSPGPK-UHFFFAOYSA-N 68909 BRD-K48963429-001-02-7 riodoxol 1 0 Vitas-M STK279680 "2,4,6-triiodo-1,3-benzenediol" 487.727 Oc1c(I)cc(I)c(O)c1I XKFZYVWWXHCHIX-UHFFFAOYSA-N 152256 BRD-K48963429-001-01-9 riodoxol 1 31.26 Vitas-M STK279680 487.727 Oc1c(I)cc(I)c(O)c1I XKFZYVWWXHCHIX-UHFFFAOYSA-N 152256 BRD-K53814070-310-01-3 ripasudil 0 98.73 MedChemEx HY-15685 K-115 323.11 C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 QSKQVZWVLOIIEV-NSHDSACASA-N 9863672 BRD-K53814070-310-02-9 ripasudil 0 97.84 MedChemEx HY-15685 Ripasudil 323.11 C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 QSKQVZWVLOIIEV-NSHDSACASA-N 9863672 BRD-K57427145-001-01-6 ripazepam 0 99.45 Sigma PH000306 "1-ethyl-3-methyl-8-phenyl-4,6-dihydropyrazolo[4,3-e][1,4]diazepin-5(1H)-one" 268.132 CCn1nc(C)c2NC(=O)CN=C(c12)c1ccccc1 |c:11| YFHYNLHGFKXAIQ-UHFFFAOYSA-N 33474 BRD-K00005241-001-01-9 ripretinib 0 95.43 MedChemEx HY-112306 Ripretinib 509.086 CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)c1=O CEFJVGZHQAGLHS-UHFFFAOYSA-N 71584930 BRD-K00003506-001-01-9 risdiplam 0 56.36 MedChemEx HY-109101 Risdiplam 401.196 Cc1cn2nc(cc(C)c2n1)-c1cc(=O)n2cc(ccc2n1)N1CCNC2(CC2)C1 ASKZRYGFUPSJPN-UHFFFAOYSA-N 118513932 BRD-K05185389-236-04-4 risedronate 1 0 MicroSource 1505944 RISEDRONATE SODIUM 283.001 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O IIDJRNMFWXDHID-UHFFFAOYSA-N 5245 BRD-K05185389-236-05-1 risedronate 1 0 Selleck S1428 Risedronate sodium 283.001 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O IIDJRNMFWXDHID-UHFFFAOYSA-N 5245 BRD-K05185389-001-02-6 risedronate 1 0 Selleck S1874 Risedronic acid (Actonel) 283.001 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O IIDJRNMFWXDHID-UHFFFAOYSA-N 5245 BRD-K05185389-001-03-4 risedronate 1 0 Selleck S1874 Risedronic acid (Actonel) 283.001 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O IIDJRNMFWXDHID-UHFFFAOYSA-N 5245 BRD-K05185389-236-03-6 risedronate 1 0 Selleck S1428 Risedronate sodium 283.001 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O IIDJRNMFWXDHID-UHFFFAOYSA-N 5245 BRD-K00003471-001-01-9 rislenemdaz 0 94.73 MedChemEx HY-106441A Rislenemdaz 358.181 Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1 RECBFDWSXWAXHY-IAGOWNOFSA-N 11394238 BRD-K53857191-001-22-7 risperidone 0 98.34 MicroSource 1506038 RISPERIDONE 410.212 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 RAPZEAPATHNIPO-UHFFFAOYSA-N 5073 BRD-K53857191-001-21-9 risperidone 0 96.75 Selleck S1615 Risperidone 410.212 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 RAPZEAPATHNIPO-UHFFFAOYSA-N 5073 BRD-K00317371-001-05-3 RITA 0 0 Selleck S2781 RITA (NSC 652287) 292.023 OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1 KZENBFUSKMWCJF-UHFFFAOYSA-N 374536 BRD-K00317371-001-06-1 RITA 0 87.3 Selleck S2781 RITA (NSC 652287) 292.023 OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1 KZENBFUSKMWCJF-UHFFFAOYSA-N 374536 BRD-K40887525-001-23-5 ritanserin 0 98.51 Tocris 1955 Ritanserin 477.169 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 JUQLTPCYUFPYKE-UHFFFAOYSA-N 5074 BRD-K40887525-001-22-7 ritanserin 0 96.23 MicroSource 1503421 RITANSERIN 477.169 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 JUQLTPCYUFPYKE-UHFFFAOYSA-N 5074 BRD-K40887525-001-24-9 ritanserin 0 96.66 Tocris 1955 Ritanserin 477.169 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 JUQLTPCYUFPYKE-UHFFFAOYSA-N 5074 BRD-K40887525-001-21-9 ritanserin 0 96.93 Tocris 1955 Ritanserin 477.169 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 JUQLTPCYUFPYKE-UHFFFAOYSA-N 5074 BRD-K14003026-003-09-0 ritodrine 0 98.11 Selleck S2533 287.152 "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 |&1:1,12|" IOVGROKTTNBUGK-SJKOYZFVSA-N 688570 BRD-K14003026-003-08-2 ritodrine 0 88.6 Selleck S2533 287.152 "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 |&1:1,12|" IOVGROKTTNBUGK-SJKOYZFVSA-N 688570 BRD-K14003026-003-10-9 ritodrine 0 95.03 MedChemEx HY-B0452 Ritodrine (hydrochloride) 287.152 "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 |&1:1,12|" IOVGROKTTNBUGK-SJKOYZFVSA-N 688570 BRD-K51485625-001-08-4 ritonavir 0 98.16 Selleck S1185 Ritonavir 720.313 CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 NCDNCNXCDXHOMX-XGKFQTDJSA-N 392622 BRD-K79966802-034-02-9 rivanicline 0 97.21 MedChemEx HY-13225B Rivanicline hemioxalate 162.116 CNCC\C=C\c1cccnc1 JUOSGGQXEBBCJB-GORDUTHDSA-N 5310967 BRD-K79966802-034-01-2 rivanicline 0 94.98 Enzo AC228 RJR 2403 fumarate 162.116 CNCC\C=C\c1cccnc1 JUOSGGQXEBBCJB-GORDUTHDSA-N 5310967 BRD-K37130656-001-03-8 rivaroxaban 0 32.96 MicroSource 1504372 RIVAROXABAN 435.066 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O KGFYHTZWPPHNLQ-AWEZNQCLSA-N 9875401 BRD-K37130656-001-04-6 rivaroxaban 0 96.48 Selleck S3002 Rivaroxaban 435.066 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O KGFYHTZWPPHNLQ-AWEZNQCLSA-N 9875401 BRD-A50033377-001-02-8 BRD-K10706131-046-06-9 rivastigmine 0 94.43 Tocris 4440 Rivastigmine tartrate 250.168 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C XSVMFMHYUFZWBK-NSHDSACASA-N 77991 BRD-K10706131-046-04-4 rivastigmine 0 97.16 MicroSource 1505388 RIVASTIGMINE TARTRATE 250.168 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C XSVMFMHYUFZWBK-NSHDSACASA-N 77991 BRD-K10706131-046-05-1 rivastigmine 0 91.05 Tocris 4440 Rivastigmine tartrate 250.168 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C XSVMFMHYUFZWBK-NSHDSACASA-N 77991 BRD-K10706131-046-02-8 rivastigmine 0 95.27 Selleck S2087 Rivastigmine Tartrate 250.168 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C XSVMFMHYUFZWBK-NSHDSACASA-N 77991 BRD-K10706131-046-03-6 rivastigmine 0 97.89 Tocris 4440 Rivastigmine tartrate 250.168 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C XSVMFMHYUFZWBK-NSHDSACASA-N 77991 BRD-K75699339-057-10-7 rizatriptan 0 70.67 Tocris 5136 Rizatriptan benzoate 269.164 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 ULFRLSNUDGIQQP-UHFFFAOYSA-N 5078 BRD-K75699339-057-08-1 rizatriptan 0 93.99 MicroSource 1505189 RIZATRIPTAN BENZOATE 269.164 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 ULFRLSNUDGIQQP-UHFFFAOYSA-N 5078 BRD-K75699339-057-09-9 rizatriptan 0 83.8 Selleck S1607 Rizatriptan Benzoate (Maxalt) 269.164 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 ULFRLSNUDGIQQP-UHFFFAOYSA-N 5078 BRD-K75699339-057-07-3 rizatriptan 0 77.5 Selleck S1607 Rizatriptan Benzoate 269.164 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 ULFRLSNUDGIQQP-UHFFFAOYSA-N 5078 BRD-K19333160-300-02-9 RKI-1447 0 95.43 Tocris 5061 RKI 1447 dihydrochloride 326.084 Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 GDVRVPIXWXOKQO-UHFFFAOYSA-N 60138149 BRD-K19333160-300-01-9 RKI-1447 0 98.46 Tocris 5061 RKI 1447 dihydrochloride 326.084 Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 GDVRVPIXWXOKQO-UHFFFAOYSA-N 60138149 BRD-K19333160-001-01-3 RKI-1447 0 96.79 Selleck S7195 RKI-1447 326.084 Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 GDVRVPIXWXOKQO-UHFFFAOYSA-N 60138149 BRD-K28773847-001-08-9 RLX 0 95.72 Vitas-M STL281810 "7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one" 214.111 O=c1n2CCCCCc2nc2ccccc12 HTLIIBRHXAULMB-UHFFFAOYSA-N 78144 BRD-K28773847-001-07-7 RLX 0 0 Vitas-M STL281810 214.111 O=c1n2CCCCCc2nc2ccccc12 HTLIIBRHXAULMB-UHFFFAOYSA-N 78144 BRD-K00010386-001-01-9 RMC-4550 0 96.25 MedChemEx HY-116009 RMC-4550 436.143 C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N IKUYEYLZXGGCRD-ORAYPTAESA-N 134183206 BRD-K41415459-300-02-9 RN-1 0 96.56 Tocris 4977 RN 1 dihydrochloride 379.226 CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 YAMSXCOVJUUMCT-FCHUYYIVSA-N 45376076 BRD-K41415459-300-01-6 RN-1 0 85.64 Tocris 4977 RN 1 dihydrochloride 379.226 CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 YAMSXCOVJUUMCT-FCHUYYIVSA-N 45376076 BRD-K95581532-001-02-3 RN-1734 0 85.01 Tocris 3746 RN 1734 352.078 CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl IHYZMEAZAIFMTN-UHFFFAOYSA-N 3601086 BRD-K95581532-001-01-5 RN-1734 0 91.99 Tocris 3746 RN 1734 352.078 CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl IHYZMEAZAIFMTN-UHFFFAOYSA-N 3601086 BRD-K95581532-001-03-9 RN-1734 0 94.74 Tocris 3746 RN 1734 352.078 CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl IHYZMEAZAIFMTN-UHFFFAOYSA-N 3601086 BRD-K45519571-001-02-6 RN-1747 0 96.27 Tocris 3745 RN 1747 395.071 [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZNLVYSJQUMALEO-UHFFFAOYSA-N 5068295 BRD-K45519571-001-01-8 RN-1747 0 93.61 Tocris 3745 RN 1747 395.071 [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZNLVYSJQUMALEO-UHFFFAOYSA-N 5068295 BRD-K45519571-001-03-9 RN-1747 0 96.5 Tocris 3745 RN 1747 395.071 [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZNLVYSJQUMALEO-UHFFFAOYSA-N 5068295 BRD-A63546914-003-03-8 Ro-04-5595 0 90.63 Tocris 2005 Ro 04-5595 hydrochloride 331.134 COc1cc2CCN(C)[C@@H](CCc3ccc(Cl)cc3)c2cc1O |&1:9| DSTWURHEHMZWEI-KRWDZBQOSA-N 92169474 BRD-A63546914-003-04-9 Ro-04-5595 0 94.07 Tocris 2005 Ro 04-5595 hydrochloride 331.134 COc1cc2CCN(C)[C@@H](CCc3ccc(Cl)cc3)c2cc1O |&1:9| DSTWURHEHMZWEI-KRWDZBQOSA-N 92169474 BRD-A63546914-003-02-0 Ro-04-5595 0 80.92 Tocris 2005 Ro 04-5595 hydrochloride 331.134 COc1cc2CCN(C)[C@@H](CCc3ccc(Cl)cc3)c2cc1O |&1:9| DSTWURHEHMZWEI-KRWDZBQOSA-N 92169474 BRD-K00486786-001-02-2 Ro-08-2750 0 93.42 Tocris 2272 Ro 08-2750 270.075 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O JDEMVNYMYPJJIM-UHFFFAOYSA-N 17756791 BRD-K00486786-001-03-9 Ro-08-2750 0 96.19 Tocris 2272 Ro 08-2750 270.075 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O JDEMVNYMYPJJIM-UHFFFAOYSA-N 17756791 BRD-K79684402-300-03-6 Ro-10-5824 0 93.04 Tocris 2329 Ro 10-5824 dihydrochloride 280.169 Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 |c:9| KABDATZAOUSYES-UHFFFAOYSA-N 16759175 BRD-K79684402-300-02-8 Ro-10-5824 0 75.4 Tocris 2329 Ro 10-5824 dihydrochloride 280.169 Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 |c:9| KABDATZAOUSYES-UHFFFAOYSA-N 16759175 BRD-K79684402-300-04-9 Ro-10-5824 0 86.64 Tocris 2329 Ro 10-5824 dihydrochloride 280.169 Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 |c:9| KABDATZAOUSYES-UHFFFAOYSA-N 16759175 BRD-A53134341-001-04-0 Ro-106-9920 0 93.74 Tocris 1778 Ro 106-9920 245.037 "O=[S@@](c1ccccc1)c1ccc2nnnn2n1 |&1:1,r|" JFSXSNSCPNFCDM-KRWDZBQOSA-N 92510314 BRD-A53134341-001-03-2 Ro-106-9920 0 94.47 Tocris 1778 Ro 106-9920 245.037 "O=[S@@](c1ccccc1)c1ccc2nnnn2n1 |&1:1,r|" JFSXSNSCPNFCDM-KRWDZBQOSA-N 92510314 BRD-K77220725-003-01-5 Ro-1138452 0 95.11 Tocris 4268 Ro 1138452 hydrochloride 309.184 CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:14| GYYRMJMXXLJZAB-UHFFFAOYSA-N 9839644 BRD-K77220725-003-02-9 Ro-1138452 0 96.69 Tocris 4268 Ro 1138452 hydrochloride 309.184 CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:14| GYYRMJMXXLJZAB-UHFFFAOYSA-N 9839644 BRD-K82823076-001-03-9 Ro-15-4513 0 94.05 Tocris 1997 Ro 15-4513 326.113 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] CFSOJZTUTOQNIA-UHFFFAOYSA-N 5081 BRD-K82823076-001-02-6 Ro-15-4513 0 87.5 Tocris 1997 Ro 15-4513 326.113 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] CFSOJZTUTOQNIA-UHFFFAOYSA-N 5081 BRD-K80778372-001-03-3 Ro-19-4605 0 97.77 Tocris 1995 Ro 19-4603 319.099 CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C ZIGMMUKDYCABPW-UHFFFAOYSA-N 127382 BRD-K80778372-001-04-9 Ro-19-4605 0 94.52 Tocris 1995 Ro 19-4603 319.099 CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C ZIGMMUKDYCABPW-UHFFFAOYSA-N 127382 BRD-K80778372-001-02-5 Ro-19-4605 0 98.3 Tocris 1995 Ro 19-4603 319.099 CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C ZIGMMUKDYCABPW-UHFFFAOYSA-N 127382 BRD-A07207424-001-14-0 Ro-20-1724 0 94.99 Tocris 415 Ro 20-1724 278.163 "CCCCOc1cc(C[C@H]2CNC(=O)N2)ccc1OC |&1:9,r|" PDMUULPVBYQBBK-LBPRGKRZSA-N 6998998 BRD-A07207424-001-13-2 Ro-20-1724 0 98.13 Tocris 415 Ro 20-1724 278.163 "CCCCOc1cc(C[C@H]2CNC(=O)N2)ccc1OC |&1:9,r|" PDMUULPVBYQBBK-LBPRGKRZSA-N 6998998 BRD-A07207424-001-15-9 Ro-20-1724 0 90.55 Tocris 415 Ro 20-1724 278.163 "CCCCOc1cc(C[C@H]2CNC(=O)N2)ccc1OC |&1:9,r|" PDMUULPVBYQBBK-LBPRGKRZSA-N 6998998 BRD-K51541829-050-02-8 Ro-25-6981 0 89.37 Tocris 1594 Ro 25-6981 maleate 339.22 C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 WVZSEUPGUDIELE-HTAPYJJXSA-N 6604887 BRD-K51541829-050-06-9 Ro-25-6981 0 95.22 Tocris 1594 Ro 25-6981 maleate 339.22 C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 WVZSEUPGUDIELE-HTAPYJJXSA-N 6604887 BRD-K51541829-050-01-0 Ro-25-6981 0 97.03 Tocris 1594 Ro 25-6981 hydrochloride 339.22 C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 WVZSEUPGUDIELE-HTAPYJJXSA-N 6604887 BRD-K21672174-001-03-0 Ro-28-1675 0 99.65 MedChemEx HY-10595 Ro 28-1675 378.107 CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 NEQSWPCDHDQINX-MRXNPFEDSA-N 9886086 BRD-K00354853-001-01-2 Ro-3 0 96.35 Tocris 3052 RO-3 302.174 COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C PYNPWUIBJMVRIG-UHFFFAOYSA-N 11289644 BRD-K00354853-001-02-9 Ro-3 0 96.35 Tocris 3052 RO-3 302.174 COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C PYNPWUIBJMVRIG-UHFFFAOYSA-N 11289644 BRD-K78373679-001-03-7 Ro-3306 0 94.61 Tocris 4181 Ro 3306 351.05 O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| XOLMRFUGOINFDQ-YBEGLDIGSA-N 135400873 BRD-K78373679-001-04-9 Ro-3306 0 95.74 Tocris 4181 Ro 3306 351.05 O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| XOLMRFUGOINFDQ-YBEGLDIGSA-N 135400873 BRD-K00004572-001-01-9 Ro-48-6791 0 92.98 Astatech 41434 RO48-6791 412.202 CCCN(CCC)Cc1nc(no1)-c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 NOQIYRGMEFBZTI-UHFFFAOYSA-N 9953485 BRD-K55192287-051-02-9 Ro-48-8071 0 91.53 Tocris 5389 Ro 48-8071 fumarate 447.121 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C CMYCCJYVZIMDFU-UHFFFAOYSA-N 1949 BRD-K55192287-051-01-1 Ro-48-8071 0 96.64 MedChemEx HY-18630A Ro 48-8071 (fumarate) 447.121 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C CMYCCJYVZIMDFU-UHFFFAOYSA-N 1949 BRD-K64538373-001-01-4 Ro-4987655 0 96.87 MedChemEx HY-14719 RO4987655 565.032 OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F FIMYFEGKMOCQKT-UHFFFAOYSA-N 11548630 BRD-K64538373-001-02-9 Ro-4987655 0 97.43 MedChemEx HY-14719 RO4987655 565.032 OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F FIMYFEGKMOCQKT-UHFFFAOYSA-N 11548630 BRD-K00003149-001-01-9 Ro-5028442 0 99.2 MedChemEx HY-12981 RG7713 437.187 CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 QZXVLRCMAHJVIP-UHFFFAOYSA-N 59657596 BRD-K82804538-001-03-6 Ro-5126766 0 91.26 MedChemEx HY-18652 Ro 5126766 471.101 CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F LMMJFBMMJUMSJS-UHFFFAOYSA-N 16719221 BRD-K82804538-001-01-0 Ro-5126766 0 96.39 Selleck S7170 RO5126766 (CH5126766) 471.101 CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F LMMJFBMMJUMSJS-UHFFFAOYSA-N 16719221 BRD-K82804538-001-02-8 Ro-5126766 0 76.64 MedChemEx HY-18652 Ro 5126766 471.101 CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F LMMJFBMMJUMSJS-UHFFFAOYSA-N 16719221 BRD-K00004623-001-01-9 Ro-5263397 0 83.41 Sigma SML2225 "(4S)-4-(3-fluoro-2-methyl-phenyl)-4,5-dihydrooxazol-2-amine" 194.086 Cc1c(F)cccc1[C@H]1COC(N)=N1 |c:13| IOHOUWIYOVWGHV-SECBINFHSA-N 56835991 BRD-K28007504-051-02-0 Ro-60-0175 0 88.51 Tocris 1854 Ro 60-0175 fumarate 226.067 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 XJJZQXUGLLXTHO-ZETCQYMHSA-N 3045227 BRD-K28007504-051-03-9 Ro-60-0175 0 95.35 Tocris 1854 Ro 60-0175 fumarate 226.067 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 XJJZQXUGLLXTHO-ZETCQYMHSA-N 3045227 BRD-K28007504-051-01-2 Ro-60-0175 0 89.78 Tocris 1854 Ro 60-0175 fumarate 226.067 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 XJJZQXUGLLXTHO-ZETCQYMHSA-N 3045227 BRD-K12639498-001-02-1 Ro-61-8048 0 94.35 Tocris 3254 Ro 61-8048 421.04 COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O NDPBMCKQJOZAQX-UHFFFAOYSA-N 5282337 BRD-K12639498-001-01-3 Ro-61-8048 0 98.09 MedChemEx HY-12347 Ro 61-8048 421.04 COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O NDPBMCKQJOZAQX-UHFFFAOYSA-N 5282337 BRD-K12639498-001-03-9 Ro-61-8048 0 97.11 Tocris 3254 Ro 61-8048 421.04 COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O NDPBMCKQJOZAQX-UHFFFAOYSA-N 5282337 BRD-K91333421-001-01-9 Ro-67-7476 0 90.92 Tocris 4346 Ro 67-7476 319.104 Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 DAEHFYNGSSBGSS-KRWDZBQOSA-N 32681978 BRD-K91333421-001-02-9 Ro-67-7476 0 93.68 Tocris 4346 Ro 67-7476 319.104 Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 DAEHFYNGSSBGSS-KRWDZBQOSA-N 32681978 BRD-K58299615-001-04-3 Ro-90-7501 0 80.49 Tocris 2408 Ro 90-7501 340.144 Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(N)cc2[nH]1 PAGZCEHLFCJSPV-UHFFFAOYSA-N 824226 BRD-K58299615-001-03-5 Ro-90-7501 0 90.66 Tocris 2408 Ro 90-7501 340.144 Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(N)cc2[nH]1 PAGZCEHLFCJSPV-UHFFFAOYSA-N 824226 BRD-K58299615-001-05-9 Ro-90-7501 0 88.17 Tocris 2408 Ro 90-7501 340.144 Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(N)cc2[nH]1 PAGZCEHLFCJSPV-UHFFFAOYSA-N 824226 BRD-K57284066-001-02-9 Ro-9187 0 98.91 MedChemEx HY-10870 RO-9187 284.087 Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2O)c(=O)n1 ODLGMSQBFONGNG-XZMZPDFPSA-N 11514721 BRD-K57284066-001-01-6 Ro-9187 0 98.79 MedChemEx HY-10870 RO-9187 284.087 Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2O)c(=O)n1 ODLGMSQBFONGNG-XZMZPDFPSA-N 11514721 BRD-K26169680-003-01-9 robalzotan 0 90.01 Tocris 3282 NAD 299 hydrochloride 318.174 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(C1CCC1)C1CCC1 MQTUXRKNJYPMCG-CYBMUJFWSA-N 3055171 BRD-K26169680-003-02-9 robalzotan 0 95.29 Tocris 3282 NAD 299 hydrochloride 318.174 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(C1CCC1)C1CCC1 MQTUXRKNJYPMCG-CYBMUJFWSA-N 3055171 BRD-K00003424-001-01-9 roblitinib 0 94.87 MedChemEx HY-101568 Roblitinib 506.239 COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N BHKDKKZMPODMIQ-UHFFFAOYSA-N 118036971 BRD-K33610132-001-02-9 rociletinib 0 98.26 Selleck S7284 CO-1686 (AVL-301) 555.221 COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O HUFOZJXAKZVRNJ-UHFFFAOYSA-N 57335384 BRD-K33610132-001-04-5 rociletinib 0 Selleck S7284 CO-1686 555.221 COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O "InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)" 57335384 BRD-K43305603-004-03-6 rocuronium 0 96.94 MicroSource 1503846 ROCURONIUM BROMIDE 529.401 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1 YXRDKMPIGHSVRX-OOJCLDBCSA-N 441290 BRD-A40127632-004-01-8 BRD-K43305603-004-02-8 rocuronium 0 100 Selleck S1397 Rocuronium Bromide 529.401 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1 YXRDKMPIGHSVRX-OOJCLDBCSA-N 441290 BRD-K58951486-004-01-5 BRD-K21733600-001-15-8 rofecoxib 0 28.93 MicroSource 1504235 ROFECOXIB 314.061 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| RZJQGNCSTQAWON-UHFFFAOYSA-N 5090 BRD-K21733600-001-24-0 rofecoxib 0 90.77 MedChemEx HY-17372 Rofecoxib 314.061 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| RZJQGNCSTQAWON-UHFFFAOYSA-N 5090 BRD-K21733600-001-23-2 rofecoxib 0 98.36 Sigma MFCD00935806 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone 314.061 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| RZJQGNCSTQAWON-UHFFFAOYSA-N 5090 BRD-K21733600-001-19-0 rofecoxib 0 69.24 Selleck S3043 Rofecoxib (Vioxx) 314.061 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| RZJQGNCSTQAWON-UHFFFAOYSA-N 5090 BRD-K21733600-001-14-1 rofecoxib 0 80.56 Selleck S3043 Rofecoxib 314.061 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| RZJQGNCSTQAWON-UHFFFAOYSA-N 5090 BRD-K03194791-001-04-8 roflumilast 0 99.14 Selleck S2131 Roflumilast 402.035 FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl MNDBXUUTURYVHR-UHFFFAOYSA-N 449193 BRD-K00003358-001-01-9 rogaratinib 0 96.76 MedChemEx HY-100019 Rogaratinib 466.179 COCc1c(CN2CCNC(=O)C2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1 HNLRRJSKGXOYNO-UHFFFAOYSA-N 71611869 BRD-K00003175-001-01-9 rolapitant 0 94.98 MedChemEx HY-14751 Rolapitant 500.19 [H][C@](C)(OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F FIVSJYGQAIEMOC-ZGNKEGEESA-N 10311306 BRD-A34255068-001-38-6 rolipram 0 93.18 Tocris 905 Rolipram 275.152 "COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 |&1:14,r|" HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-A34255068-001-34-5 rolipram 0 98.11 MicroSource 1505683 ROLIPRAM 275.152 "COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 |&1:14,r|" HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-A34255068-001-33-7 rolipram 0 97.77 Tocris 905 Rolipram 275.152 "COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 |&1:14,r|" HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-A34255068-001-32-9 rolipram 0 95.22 Selleck S1430 Rolipram 275.152 "COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1 |&1:14,r|" HJORMJIFDVBMOB-GFCCVEGCSA-N 158758 BRD-A62336573-001-03-1 rolitetracycline 0 2.99 MicroSource 1505684 ROLITETRACYCLINE 527.227 "CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,6,10,35,&1:7,&2:14,t:7,14|" YEHCEZXUSLIKDU-IAHYZSEUSA-N BRD-A62336573-001-04-9 rolitetracycline 0 0 Selleck S4352 rolitetracycline 527.227 "CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,6,10,35,&1:7,&2:14,t:7,14|" YEHCEZXUSLIKDU-IAHYZSEUSA-N BRD-A62336573-001-02-3 rolitetracycline 0 0 Selleck S4352 Rolitetracycline 527.227 "CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,6,10,35,&1:7,&2:14,t:7,14|" YEHCEZXUSLIKDU-IAHYZSEUSA-N BRD-A62336573-001-06-4 rolitetracycline 0 0 Selleck S4352 ROLITETRACYCLINE 527.227 "CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O |a:3,4,6,10,35,&1:7,&2:14,t:7,14|" YEHCEZXUSLIKDU-IAHYZSEUSA-N BRD-K00003283-001-01-9 roluperidone 0 100 MedChemEx HY-19469 Roluperidone 366.174 Fc1ccc(cc1)C(=O)CN1CCC(CN2Cc3ccccc3C2=O)CC1 RNRYULFRLCBRQS-UHFFFAOYSA-N 9799284 BRD-K38564664-001-01-1 rolziracetam 0 97.8 Sigma PH000303 "dihydro-1H-pyrrolo[1,2-a]pyrrole-3,5(2H,6H)-dione" 139.063 O=C1CCC2CCC(=O)N12 IEZDOKQWPWZVQF-UHFFFAOYSA-N 71893 BRD-K61397605-001-03-4 romidepsin 0 98.84 MedChemEx HY-15149 Romidepsin 540.208 C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |t:12| OHRURASPPZQGQM-WDCUYUQDSA-N 56840936 BRD-K61397605-001-01-8 romidepsin 0 94.94 Selleck S3020 "Romidepsin (FK228 ,depsipeptide)" 540.208 C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |t:12| "InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20?/m1/s1" 56840936 BRD-K94266545-001-25-9 ronidazole 0 85.53 MedChemEx HY-B0565 Ronidazole 200.055 Cn1c(COC(N)=O)ncc1[N+]([O-])=O PQFRTXSWDXZRRS-UHFFFAOYSA-N 5094 BRD-K94266545-001-24-1 ronidazole 0 99.46 MicroSource 1501154 RONIDAZOLE 200.055 Cn1c(COC(N)=O)ncc1[N+]([O-])=O PQFRTXSWDXZRRS-UHFFFAOYSA-N 5094 BRD-K94266545-001-23-3 ronidazole 0 93.16 Selleck S4062 Ronidazole 200.055 Cn1c(COC(N)=O)ncc1[N+]([O-])=O PQFRTXSWDXZRRS-UHFFFAOYSA-N 5094 BRD-K15933101-003-07-9 ropinirole 0 97.66 MicroSource 1505178 ROPINIROLE HYDROCHLORIDE 260.189 CCCN(CCC)CCc1cccc2NC(=O)Cc12 UHSKFQJFRQCDBE-UHFFFAOYSA-N 5095 BRD-K15933101-003-06-1 ropinirole 0 97.67 Selleck S3189 Ropinirole HCl 260.189 CCCN(CCC)CCc1cccc2NC(=O)Cc12 UHSKFQJFRQCDBE-UHFFFAOYSA-N 5095 BRD-K15933101-003-08-9 ropinirole 0 96.24 Tocris 3680 Ropinirole 260.189 CCCN(CCC)CCc1cccc2NC(=O)Cc12 UHSKFQJFRQCDBE-UHFFFAOYSA-N 5095 BRD-K50938786-311-12-9 ropivacaine 0 95.02 MedChemEx HY-B0563A Ropivacaine (hydrochloride monohydrate) 274.205 CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZKMNUMMKYBVTFN-HNNXBMFYSA-N 175805 BRD-K50938786-003-11-8 ropivacaine 0 97.16 Selleck S4058 Ropivacaine HCl 274.205 CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZKMNUMMKYBVTFN-HNNXBMFYSA-N 175805 BRD-K03384561-001-03-9 roquinimex 0 95.04 Tocris 1461 Linomide 308.116 CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1 SGOOQMRIPALTEL-UHFFFAOYSA-N 54676478 BRD-K03384561-001-02-7 roquinimex 0 96.21 Tocris 1461 Linomide 308.116 CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1 SGOOQMRIPALTEL-UHFFFAOYSA-N 54676478 BRD-K00004538-001-01-9 rosamicin 0 95.1 Vitas-M STK256720 Rosamicin 581.356 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]2(C)O[C@H]2[C@@H]1C |t:34| IUPCWCLVECYZRV-WMNDRESDSA-N BRD-K07691486-001-19-7 roscovitine 0 97.94 Selleck S1153 seliciclib 354.217 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 BTIHMVBBUGXLCJ-OAHLLOKOSA-N 160355 BRD-K07691486-001-15-5 roscovitine 0 97.38 Selleck S1153 "Roscovitine (Seliciclib,CYC202)" 354.217 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 BTIHMVBBUGXLCJ-OAHLLOKOSA-N 160355 BRD-K33623053-304-01-7 rose-bengal 0 44.8 Acros 18945 "Rose Bengal, 85%, pure, high purity, Biological stain" 971.499 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 VDNLFJGJEQUWRB-UHFFFAOYSA-N 25474 BRD-K33623053-304-02-5 rose-bengal 0 57.93 SantaCruz sc-203757 971.499 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 VDNLFJGJEQUWRB-UHFFFAOYSA-N 25474 BRD-K36163066-304-01-6 BRD-K36163066-304-02-4 rose-bengal-lactone 0 73.73 CombiBlocks QF-7123 "disodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate" 971.499 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I IICCLYANAQEHCI-UHFFFAOYSA-N 69439 BRD-K01826734-003-14-9 rosiglitazone 0 98.53 Selleck S2075 357.115 CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 |&1:10| YASAKCUCGLMORW-OAHLLOKOSA-N 10021239 BRD-K00003494-001-01-9 rosiptor 0 100 MedChemEx HY-109011 Rosiptor 321.267 [H][C@@]12CCC(=C)[C@@]1(C)CC[C@@]([H])([C@H]2CN)[C@@]1(C)CC[C@H](O)C[C@@H]1CO MDEJTPWQNNMAQF-BVMLLJBZSA-N 76965484 BRD-K20313525-001-05-9 rosmarinic-acid 0 94.4 Tocris 630 Rosmarinic acid 360.085 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 5281792 BRD-K20313525-001-04-6 rosmarinic-acid 0 94.08 Tocris 630 Rosmarinic acid 360.085 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 5281792 BRD-K49841478-001-01-6 rosoxacin 0 98.05 Accela SY038205 "1-ethyl-4-oxo-7-(4-pyridinyl)-1,4-dihydro-3-quinolinecarboxylic acid" 294.1 CCn1cc(C(O)=O)c(=O)c2ccc(cc12)-c1ccncc1 XBPZXDSZHPDXQU-UHFFFAOYSA-N 287180 BRD-K11672787-001-02-3 rostafuroxine 0 74.75 Tocris 5315 Rostafuroxin 374.246 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)c1ccoc1 AEAPORIZZWBIEX-DTBDINHYSA-N 153976 BRD-K11672787-001-03-9 rostafuroxine 0 84.73 Tocris 5315 Rostafuroxin 374.246 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)c1ccoc1 AEAPORIZZWBIEX-DTBDINHYSA-N 153976 BRD-K11672787-001-01-5 rostafuroxine 0 98.28 MedChemEx HY-12283 Rostafuroxin 374.246 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)c1ccoc1 AEAPORIZZWBIEX-DTBDINHYSA-N 153976 BRD-K82941592-238-03-7 rosuvastatin 0 60.23 MicroSource 1505213 ROSUVASTATIN CALCIUM 481.168 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O BPRHUIZQVSMCRT-VEUZHWNKSA-N 446157 BRD-K82941592-238-07-9 rosuvastatin 0 89.96 Pharmeks PHAR214236 "calcium (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate" 481.168 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O BPRHUIZQVSMCRT-VEUZHWNKSA-N 446157 BRD-K82941592-238-06-9 rosuvastatin 0 95.14 Tocris 6343 Rosuvastatin calcium 481.168 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O BPRHUIZQVSMCRT-VEUZHWNKSA-N 446157 BRD-K82941592-238-04-5 rosuvastatin 0 93.46 Selleck S2169 Rosuvastatin Calcium 481.168 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O BPRHUIZQVSMCRT-VEUZHWNKSA-N 446157 BRD-M41627219-238-01-7 BRD-K91111634-003-01-8 rotigotine 0 86.78 Tocris 3896 Rotigotine hydrochloride 315.166 CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 KFQYTPMOWPVWEJ-INIZCTEOSA-N 59227 BRD-K91111634-001-01-2 rotigotine 0 98.62 MedChemEx HY-75502 Rotigotine 315.166 CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 KFQYTPMOWPVWEJ-INIZCTEOSA-N 59227 BRD-K91111634-003-02-9 rotigotine 0 93.74 Tocris 3896 Rotigotine hydrochloride 315.166 CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 KFQYTPMOWPVWEJ-INIZCTEOSA-N 59227 BRD-K35719256-001-09-9 rotundine 0 93.72 MedChemEx HY-N0096 Rotundine 355.178 COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC AEQDJSLRWYMAQI-KRWDZBQOSA-N 72301 BRD-K35719256-001-02-6 rotundine 0 90.41 Selleck S2437 Rotundine 355.178 COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC AEQDJSLRWYMAQI-KRWDZBQOSA-N 72301 BRD-K00003502-001-01-9 rovazolac 0 97.15 MedChemEx HY-109073 Rovazolac 452.102 CCOC(=O)Cn1nc(cc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F ZUMNJDGBYXHASJ-UHFFFAOYSA-N 89792952 BRD-K22685337-001-15-9 roxarsone 0 96.01 MedChemEx HY-B0936 Roxarsone 262.941 Oc1ccc(cc1[N+]([O-])=O)[As](O)(O)=O XMVJITFPVVRMHC-UHFFFAOYSA-N 5104 BRD-K22685337-001-13-4 roxarsone 0 98.02 MicroSource 1500530 ROXARSONE 262.941 Oc1ccc(cc1[N+]([O-])=O)[As](O)(O)=O XMVJITFPVVRMHC-UHFFFAOYSA-N 5104 BRD-K81855038-003-14-7 roxatidine-acetate 0 95.7 MedChemEx HY-B0305A 2-oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate hydrochloride 348.205 CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 SMTZFNFIKUPEJC-UHFFFAOYSA-N 5105 BRD-K81855038-003-13-9 roxatidine-acetate 0 97.97 MicroSource 1502334 ROXATIDINE ACETATE HYDROCHLORIDE 348.205 CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 SMTZFNFIKUPEJC-UHFFFAOYSA-N 5105 BRD-K81855038-003-12-1 roxatidine-acetate 0 95.63 Selleck S1880 Roxatidine Acetate HCl 348.205 CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 SMTZFNFIKUPEJC-UHFFFAOYSA-N 5105 BRD-K38684403-001-07-9 roxithromycin 0 87.51 MedChemEx HY-B0435 Roxithromycin 836.525 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O RXZBMPWDPOLZGW-SWCVOMKCSA-N BRD-K38684403-001-04-7 roxithromycin 0 81.55 MicroSource 1503276 ROXITHROMYCIN 836.525 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O RXZBMPWDPOLZGW-SWCVOMKCSA-N BRD-K38684403-001-05-4 roxithromycin 0 99.06 Selleck S2506 Roxithromycin 836.525 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O RXZBMPWDPOLZGW-SWCVOMKCSA-N BRD-K58211978-001-01-5 BRD-A29148886-003-01-4 RP-001 0 94.54 Tocris 4289 RP 001 hydrochloride 432.18 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2[C@@H](CCc12)NCCC(O)=O |&1:22| WNDDDFYFTSGSEC-HXUWFJFHSA-N 58344861 BRD-A29148886-003-02-9 RP-001 0 96.01 Tocris 4289 RP 001 hydrochloride 432.18 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2[C@@H](CCc12)NCCC(O)=O |&1:22| WNDDDFYFTSGSEC-HXUWFJFHSA-N 58344861 BRD-K40767677-001-01-1 RP67580 0 44.82 Tocris 1635 "(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyloctahydro-4H-isoindol-4-one" 438.231 COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 VWBOQFANCXZMAU-LOSJGSFVSA-N 107686 BRD-K40767677-001-02-9 RP67580 0 Tocris 1635 RP 67580 438.231 COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 VWBOQFANCXZMAU-LOSJGSFVSA-N 107686 BRD-K87973152-001-01-3 RQ-00203078 0 93.37 Tocris 5388 RQ 00203078 554.014 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc(cc1Cl)C(F)(F)F IJGQFZYYEHCCIZ-UHFFFAOYSA-N 49783953 BRD-K87973152-001-02-9 RQ-00203078 0 95.32 Tocris 5388 RQ 00203078 554.014 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc(cc1Cl)C(F)(F)F IJGQFZYYEHCCIZ-UHFFFAOYSA-N 49783953 BRD-K06894065-001-02-3 RRx-001 0 0 MedChemEx HY-16438 RRx-001 266.949 [O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O JODKFOVZURLVTG-UHFFFAOYSA-N 15950826 BRD-K06894065-001-01-5 RRx-001 0 0 MedChemEx HY-16438 RRx-001 266.949 [O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O JODKFOVZURLVTG-UHFFFAOYSA-N 15950826 BRD-K00004000-001-01-9 RS-0481 0 Broad Institute RS0481 RS0481 340.125 C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1)c1ccccc1 MEXWLVVJOPSWLN-PBHICJAKSA-N 5747899 BRD-K08640512-003-03-9 RS-100329 0 96.68 Tocris 1325 RS 100329 hydrochloride 426.188 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O RCOBWVAGWYRNHZ-UHFFFAOYSA-N 3567002 BRD-K08640512-003-02-3 RS-100329 0 97.46 Tocris 1325 RS 100329 hydrochloride 426.188 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O RCOBWVAGWYRNHZ-UHFFFAOYSA-N 3567002 BRD-K87048468-003-03-5 RS-102221 0 97.64 Tocris 1050 RS 102221 hydrochloride 612.187 COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O HZZZZODVDSHQRG-UHFFFAOYSA-N 3693566 BRD-K87048468-003-04-3 RS-102221 0 93.67 Tocris 1050 "N-{5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-(trifluoromethyl)benzenesulfonamide hydroch" 612.187 COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O HZZZZODVDSHQRG-UHFFFAOYSA-N 3693566 BRD-K87048468-003-02-7 RS-102221 0 84.76 Tocris 1050 RS 102221 hydrochloride 612.187 COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O HZZZZODVDSHQRG-UHFFFAOYSA-N 3693566 BRD-K87048468-003-05-9 RS-102221 0 Tocris 1050 RS 102221 hydrochloride 612.187 COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O HZZZZODVDSHQRG-UHFFFAOYSA-N 3693566 BRD-K83063356-003-03-3 RS-102895 0 97.44 Tocris 2089 RS 102895 hydrochloride 390.156 FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 HIDWEYPGMLIQSN-UHFFFAOYSA-N 10000456 BRD-K83063356-003-04-9 RS-102895 0 96.19 Tocris 2089 RS 102895 hydrochloride 390.156 FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 HIDWEYPGMLIQSN-UHFFFAOYSA-N 10000456 BRD-K83063356-003-02-5 RS-102895 0 97.17 Tocris 2089 RS 102895 hydrochloride 390.156 FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 HIDWEYPGMLIQSN-UHFFFAOYSA-N 10000456 BRD-K90825648-001-02-0 RS-127445 0 95.44 Selleck S2698 RS-127445 281.133 CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 ZZZQXCUPAJFVBN-UHFFFAOYSA-N 196968 BRD-K90825648-003-03-9 RS-127445 0 98.16 Tocris 2993 RS 127445 hydrochloride 281.133 CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 ZZZQXCUPAJFVBN-UHFFFAOYSA-N 196968 BRD-K00004221-300-01-9 RS-16566 0 97.92 Tocris 1015 RS 16566 dihydrochloride 346.156 CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1C[N@@]2CC[C@H]1CC2 OGXMGJGFLBSEJW-HNNXBMFYSA-N 6604794 BRD-K76840893-003-03-3 RS-17053 0 95.74 Tocris 985 RS 17053 hydrochloride 412.192 CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 XLZHXAXXJVKTFM-UHFFFAOYSA-N 3894573 BRD-K76840893-003-04-9 RS-17053 0 97.61 Tocris 985 RS 17053 hydrochloride 412.192 CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 XLZHXAXXJVKTFM-UHFFFAOYSA-N 3894573 BRD-K76840893-003-02-5 RS-17053 0 96.88 Tocris 985 RS 17053 hydrochloride 412.192 CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 XLZHXAXXJVKTFM-UHFFFAOYSA-N 3894573 BRD-K01868942-003-02-7 RS-23597-190 0 98.28 Tocris 728 RS 23597-190 hydrochloride 326.14 COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 RLSGBCUXLRMTPF-UHFFFAOYSA-N 182593 BRD-K20742498-003-03-9 RS-39604 0 94.09 Tocris 991 RS 39604 hydrochloride 553.201 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 BKVIWGRFRKLFIO-UHFFFAOYSA-N 5145950 BRD-K20742498-003-02-9 RS-39604 0 98.29 Tocris 991 RS 39604 hydrochloride 553.201 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 BKVIWGRFRKLFIO-UHFFFAOYSA-N 5145950 BRD-K26160755-003-03-9 RS-45041-190 0 100 Tocris 889 RS 45041-190 hydrochloride 221.072 Clc1cccc2CN(Cc12)C1=NCCN1 |t:12| IVCMOOBKRRDNHX-UHFFFAOYSA-N 127951 BRD-K26160755-003-02-6 RS-45041-190 0 96.87 Tocris 889 RS 45041-190 hydrochloride 221.072 Clc1cccc2CN(Cc12)C1=NCCN1 |t:12| IVCMOOBKRRDNHX-UHFFFAOYSA-N 127951 BRD-K87510569-001-02-8 RS-504393 0 96.5 Tocris 2517 RS 504393 417.205 Cc1oc(nc1CCN1CCC2(CC1)OC(=O)Nc1ccc(C)cc21)-c1ccccc1 ODNICNWASXKNNQ-UHFFFAOYSA-N 9953769 BRD-K87510569-001-03-9 RS-504393 0 97.31 Tocris 2517 RS 504393 417.205 Cc1oc(nc1CCN1CCC2(CC1)OC(=O)Nc1ccc(C)cc21)-c1ccccc1 ODNICNWASXKNNQ-UHFFFAOYSA-N 9953769 BRD-K00004219-003-01-9 RS-56812 0 98.24 Tocris 988 RS 56812 hydrochloride 311.163 Cn1cc(C(=O)C(=O)N[C@H]2C[N@@]3CC[C@H]2CC3)c2ccccc12 ZNAPADWWBWFMCQ-HNNXBMFYSA-N 6604789 BRD-K46142322-003-03-9 RS-67333 0 91.72 Tocris 989 RS 67333 hydrochloride 352.192 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 JBHLYIVFFLNISJ-UHFFFAOYSA-N 183782 BRD-K46142322-003-02-4 RS-67333 0 97.37 Tocris 989 RS 67333 hydrochloride 352.192 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 JBHLYIVFFLNISJ-UHFFFAOYSA-N 183782 BRD-K50018155-003-03-9 RS-67506 0 91.24 Tocris 990 RS 67506 hydrochloride 417.149 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 UATDVRSFFGFTAI-UHFFFAOYSA-N 133076 BRD-K50018155-003-02-1 RS-67506 0 96.93 Tocris 990 RS 67506 hydrochloride 417.149 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 UATDVRSFFGFTAI-UHFFFAOYSA-N 133076 BRD-K86600316-003-03-9 RS-79948 0 90.88 Tocris 987 RS 79948 hydrochloride 364.182 CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@H]12 UMGBFFAJXFXOIL-MNEFBYGVSA-N 9908992 BRD-K86600316-003-02-0 RS-79948 0 97.72 Tocris 987 RS 79948 hydrochloride 364.182 CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@H]12 UMGBFFAJXFXOIL-MNEFBYGVSA-N 9908992 BRD-K30159788-001-01-9 RSV604 0 98.22 MedChemEx HY-12993 RSV604 388.134 Fc1ccccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O |t:13| MTPVBMVUENFFLL-HXUWFJFHSA-N 5279172 BRD-K56211775-001-02-0 RTA-408 0 89.51 MedChemEx HY-12212 RTA-408 554.332 "CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |t:19,23|" RJCWBNBKOKFWNY-IDPLTSGASA-N 71811910 BRD-K56211775-001-01-2 RTA-408 0 71.05 MedChemEx HY-12212 RTA-408 554.332 "CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |t:19,23|" RJCWBNBKOKFWNY-IDPLTSGASA-N 71811910 BRD-K56211775-001-03-8 RTA-408 0 90.95 Selleck S7672 Omaveloxolone (RTA-408) 554.332 "CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |t:19,23|" RJCWBNBKOKFWNY-IDPLTSGASA-N 71811910 BRD-A96383502-001-01-3 BRD-K00234327-001-04-8 RU-24969 0 64.03 MedChemEx HY-16688 RU 24969 228.126 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9| KRVMLPUDAOWOGN-UHFFFAOYSA-N 108029 BRD-K00234327-001-03-0 RU-24969 0 0 MedChemEx HY-16688 RU 24969 228.126 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9| KRVMLPUDAOWOGN-UHFFFAOYSA-N 108029 BRD-K00234327-036-05-1 RU-24969 0 0 Tocris 912 RU 24969 hemisuccinate 228.126 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9| KRVMLPUDAOWOGN-UHFFFAOYSA-N 108029 BRD-M08478673-036-02-1 BRD-K37687387-237-02-9 RU-28318 0 96.9 Tocris 1672 "RU 28318, potassium salt" 402.277 CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(O)=O)[C@H]12 |t:5| DNHCHRGCTVRAFT-JEHIOXJOSA-N 3034004 BRD-K37687387-237-01-7 RU-28318 0 92.75 Tocris 1672 "RU 28318, potassium salt" 402.277 CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(O)=O)[C@H]12 |t:5| DNHCHRGCTVRAFT-JEHIOXJOSA-N 3034004 BRD-K85285268-003-01-1 RU-42173 0 9.01 Enzo AR113 Zilpaterol 261.148 CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O ZSTCZWJCLIRCOJ-DGCLKSJQSA-N 3086576 BRD-K62762455-001-02-9 RU-58841 0 96.61 MedChemEx HY-10561 RU 58841 369.13 CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F ARBYGDBJECGMGA-UHFFFAOYSA-N 132981 BRD-K62762455-001-01-3 RU-58841 0 97.49 MedChemEx HY-10561 RU 58841 369.13 CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F ARBYGDBJECGMGA-UHFFFAOYSA-N 132981 BRD-A33603104-003-02-9 RU-SKI-43 0 93.99 Tocris 4886 RU-SKI 43 hydrochloride 386.203 "CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 |&1:2,&2:17|" AEENEMOEBJOKGN-UZLBHIALSA-N 93160320 BRD-A33603104-003-01-8 RU-SKI-43 0 92.1 Tocris 4886 RU-SKI 43 hydrochloride 386.203 "CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 |&1:2,&2:17|" AEENEMOEBJOKGN-UZLBHIALSA-N 93160320 BRD-K79821389-001-03-5 rubitecan 0 94.03 Sigma MFCD06656294 "(4S)-4-ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione" 393.096 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc([N+]([O-])=O)c4cc3Cn1c2=O VHXNKPBCCMUMSW-FQEVSTJZSA-N 472335 BRD-K27677357-003-04-9 ruboxistaurin 0 92.46 MedChemEx HY-10195B Ruboxistaurin (hydrochloride) 468.216 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:10| ZCBUQCWBWNUWSU-SFHVURJKSA-N 153999 BRD-K88560311-001-08-9 rucaparib 0 95.59 Tocris 6230 Rucaparib camsylate 323.143 CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 HMABYWSNWIZPAG-UHFFFAOYSA-N 9931954 BRD-K88560311-011-07-1 rucaparib 0 95.32 Selleck S1098 "Rucaparib (AG-014699 , PF-01367338)" 323.143 CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 HMABYWSNWIZPAG-UHFFFAOYSA-N 9931954 BRD-K88560311-011-06-3 rucaparib 0 87.58 Selleck S1098 "Rucaparib (AG-014699,PF-01367338)" 323.143 CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 HMABYWSNWIZPAG-UHFFFAOYSA-N 9931954 BRD-K61036791-001-01-6 rucinol 0 98.99 TCI B3773 166.099 CCCCc1ccc(O)cc1O CSHZYWUPJWVTMQ-UHFFFAOYSA-N 205912 BRD-K20079257-001-09-6 rufinamide 0 98.35 Selleck S1256 Rufinamide 238.067 NC(=O)c1cn(Cc2c(F)cccc2F)nn1 POGQSBRIGCQNEG-UHFFFAOYSA-N 129228 BRD-K62374253-001-07-8 rufloxacin 0 97.36 MicroSource 1502335 RUFLOXACIN HYDROCHLORIDE 363.105 CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(C(O)=O)c2=O NJCJBUHJQLFDSW-UHFFFAOYSA-N 58258 BRD-K62374253-003-10-9 rufloxacin 0 95.46 MedChemEx HY-B0902A Rufloxacin hydrochloride 363.105 CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(C(O)=O)c2=O NJCJBUHJQLFDSW-UHFFFAOYSA-N 58258 BRD-K98004573-051-03-9 rupatadine 0 98.23 MedChemEx HY-13511A Rupatadine (Fumarate) 415.182 Cc1cncc(CN2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)c1 WUZYKBABMWJHDL-UHFFFAOYSA-N 133017 BRD-K98004573-051-02-8 rupatadine 0 91.72 Selleck S3052 Rupatadine Fumarate 415.182 Cc1cncc(CN2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)c1 WUZYKBABMWJHDL-UHFFFAOYSA-N 133017 BRD-K94723713-001-12-9 rutaecarpine 0 94.55 MedChemEx HY-N0147 Rutaecarpine 287.106 O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12 ACVGWSKVRYFWRP-UHFFFAOYSA-N 65752 BRD-K94723713-001-10-6 rutaecarpine 0 97.45 Selleck S2349 Rutaecarpine 287.106 O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12 ACVGWSKVRYFWRP-UHFFFAOYSA-N 65752 BRD-K20482099-001-11-0 rutin 0 91.2 MicroSource 300607 RUTIN 610.153 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IKGXIBQEEMLURG-NVPNHPEKSA-N 5280805 BRD-A76747559-001-03-1 BRD-K20482099-001-12-9 rutin 0 86.23 MedChemEx HY-N0148 Rutin 610.153 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IKGXIBQEEMLURG-NVPNHPEKSA-N 5280805 BRD-K20482099-001-09-4 rutin 0 90.04 Selleck S2350 Rutin (Rutoside) 610.153 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IKGXIBQEEMLURG-NVPNHPEKSA-N 5280805 BRD-K20482099-001-10-2 rutin 0 87.66 Selleck S2350 Rutin 610.153 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IKGXIBQEEMLURG-NVPNHPEKSA-N 5280805 BRD-K22924152-001-01-4 BRD-K53972329-001-07-0 ruxolitinib 0 96.54 Selleck S1378 Ruxolitinib (INCB018424) 306.159 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 HFNKQEVNSGCOJV-OAHLLOKOSA-N 25126798 BRD-K19601669-001-02-7|BRD-K19601669-001-02-7 BRD-K53972329-001-01-3 ruxolitinib 0 99.11 Chemietek CT-INCB INCB018424 306.159 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 HFNKQEVNSGCOJV-OAHLLOKOSA-N 25126798 BRD-K19601669-001-04-9 ruxolitinib-(S) 0 90.52 MedChemEx HY-50856A Ruxolitinib (S enantiomer) 306.159 N#CC[C@@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 HFNKQEVNSGCOJV-HNNXBMFYSA-N 50878566 BRD-K19601669-001-03-5 ruxolitinib-(S) 0 97.97 Selleck S2902 S-Ruxolitinib (INCB018424) 306.159 N#CC[C@@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 HFNKQEVNSGCOJV-HNNXBMFYSA-N 50878566 BRD-K00004579-001-01-9 RV1729 0 85.07 Astatech P14335 "5-HEXYNAMIDE, 6-[2-[[4-AMINO-3-(3-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL]-3-[(2-CHLOROPHENYL)METHYL]-3,4-DIHYDRO-4-OXO-5-QUINAZOLINYL]-N,N-BIS(2-METHOXYETHYL)-" 734.273 COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12 UBLOHCIYTDRGJH-UHFFFAOYSA-N 52913198 BRD-K00091711-001-03-8 RWJ-21757 0 63.19 Tocris 2719 RWJ 21757 339.118 Nc1nc(=O)c2n(CC=C)c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 VDCRFBBZFHHYGT-IOSLPCCCSA-N 135410906 BRD-K00091711-001-02-0 RWJ-21757 0 83.49 Sigma MFCD00867591 "7-allyl-2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-hydroxy-7,9-dihydro-8H-purin-8-one" 339.118 Nc1nc(=O)c2n(CC=C)c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 VDCRFBBZFHHYGT-IOSLPCCCSA-N 135410906 BRD-K00091711-001-01-2 RWJ-21757 0 84.99 Tocris 2719 RWJ 21757 339.118 Nc1nc(=O)c2n(CC=C)c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 VDCRFBBZFHHYGT-IOSLPCCCSA-N 135410906 BRD-K94623186-001-01-5 RWJ-50271 0 97.8 Tocris 4227 RWJ 50271 410.102 Cc1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCO HOFGTYCLOKDAES-UHFFFAOYSA-N 9953357 BRD-K94623186-001-02-9 RWJ-50271 0 97.49 Tocris 4227 RWJ 50271 410.102 Cc1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCO HOFGTYCLOKDAES-UHFFFAOYSA-N 9953357 BRD-K07074923-001-01-5 RWJ-67657 0 93.32 Cayman 18718 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-3-butyn-1-ol 425.19 OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1 QSUSKMBNZQHHPA-UHFFFAOYSA-N 3008319 BRD-K07074923-001-02-3 RWJ-67657 0 91.52 Tocris 2999 RWJ 67657 425.19 OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1 QSUSKMBNZQHHPA-UHFFFAOYSA-N 3008319 BRD-K66213167-001-02-0 RX-3117 0 66.8 MedChemEx HY-15228 RX-3117 257.081 Nc1ccn([C@H]2[C@H](O)[C@H](O)C(CO)=C2F)c(=O)n1 |c:12| QLLGKCJUPWYJON-HLTSFMKQSA-N 11242315 BRD-K66213167-001-01-2 RX-3117 0 83.1 MedChemEx HY-15228 RX-3117 257.081 Nc1ccn([C@H]2[C@H](O)[C@H](O)C(CO)=C2F)c(=O)n1 |c:12| QLLGKCJUPWYJON-HLTSFMKQSA-N 11242315 BRD-A65597028-003-08-1 RX-821002 0 82.66 Tocris 1324 RX 821002 hydrochloride 234.1 "CO[C@]1(COc2ccccc2O1)C1=NCCN1 |&1:2,t:14|" HQGWKNGAKBPTBX-LBPRGKRZSA-N 67743720 BRD-A65597028-003-09-9 RX-821002 0 84.31 Tocris 1324 RX 821002 hydrochloride 234.1 "CO[C@]1(COc2ccccc2O1)C1=NCCN1 |&1:2,t:14|" HQGWKNGAKBPTBX-LBPRGKRZSA-N 67743720 BRD-A65597028-003-07-3 RX-821002 0 97.1 Tocris 1324 RX 821002 hydrochloride 234.1 "CO[C@]1(COc2ccccc2O1)C1=NCCN1 |&1:2,t:14|" HQGWKNGAKBPTBX-LBPRGKRZSA-N 67743720 BRD-K06426971-001-02-7 ryuvidine 0 95.12 Tocris 2609 Ryuvidine 284.062 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9| HFPLHASLIOXVGS-UHFFFAOYSA-N 481747 BRD-K06426971-001-04-9 ryuvidine 0 95.15 Tocris 2609 Ryuvidine 284.062 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9| HFPLHASLIOXVGS-UHFFFAOYSA-N 481747 BRD-K06426971-001-03-5 ryuvidine 0 93.7 Tocris 2609 Ryuvidine 284.062 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9| HFPLHASLIOXVGS-UHFFFAOYSA-N 481747 BRD-K37635256-001-02-9 S-07662 0 96.8 Tocris 5188 S 07662 300.093 Cc1oc2ccccc2c1CNC(=O)NCc1cccs1 UITFWLJMEZPXOF-UHFFFAOYSA-N 2732040 BRD-K37635256-001-01-4 S-07662 0 94.26 Tocris 5188 S 07662 300.093 Cc1oc2ccccc2c1CNC(=O)NCc1cccs1 UITFWLJMEZPXOF-UHFFFAOYSA-N 2732040 BRD-K60005752-001-02-9 S-111 0 73.34 MedChemEx HY-N0797 (20S)-Protopanaxadiol 460.392 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C PYXFVCFISTUSOO-HKUCOEKDSA-N 11213350 BRD-K60005752-001-01-9 S-111 0 100 MedChemEx HY-N0797 (20S)-Protopanaxadiol 460.392 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C PYXFVCFISTUSOO-HKUCOEKDSA-N 11213350 BRD-K46766488-003-03-8 S-14506 0 99.32 Tocris 1771 S 14506 hydrochloride 407.201 COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 IFMQODYDAUKKEN-UHFFFAOYSA-N 131906 BRD-K46766488-003-04-9 S-14506 0 97.93 Tocris 1771 S 14506 hydrochloride 407.201 COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 IFMQODYDAUKKEN-UHFFFAOYSA-N 131906 BRD-K46766488-003-02-0 S-14506 0 97.75 Tocris 1771 S 14506 hydrochloride 407.201 COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 IFMQODYDAUKKEN-UHFFFAOYSA-N 131906 BRD-K00004618-001-01-9 S-17092 0 86.56 Sigma SML0181 "((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropane-1-carbonyl)octahydro-1H-indol-2-yl)(thiazolidin-3-yl)methanone" 384.187 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 NXSXRIHXEQSYEZ-KNJMJIDISA-N 9929984 BRD-K00003475-001-01-9 S-3304 0 95.77 MedChemEx HY-106992 S 3304 464.086 Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O YWCLDDLVLSQGSZ-JOCHJYFZSA-N 10718956 BRD-K00003455-001-01-9 S-38093 0 91.5 MedChemEx HY-104003 S 38093 288.184 NC(=O)c1ccc(OCCCN2C[C@@H]3CCC[C@@H]3C2)cc1 |r| MRNMYWNBLVJWKG-GASCZTMLSA-N 70941112 BRD-K10673031-004-03-9 S-isopropylisothiourea 0 82.54 Tocris 897 S-Isopropylisothiourea hydrobromide 118.056 CC(C)SC(N)=N XSSNABKEYXKKMK-UHFFFAOYSA-N 445319 BRD-K10673031-004-02-0 S-isopropylisothiourea 0 94.16 Tocris 897 S-Isopropylisothiourea hydrobromide 118.056 CC(C)SC(N)=N XSSNABKEYXKKMK-UHFFFAOYSA-N 445319 BRD-K63123526-001-02-0 S-methylcysteine 1 100 Ark AK-44172 (2R)-2-amino-3-(methylsulfanyl)propanoic acid 135.035 CSC[C@H](N)C(O)=O IDIDJDIHTAOVLG-VKHMYHEASA-N 7058174 BRD-K63123526-001-01-2 S-methylcysteine 1 0 Ark AK-44172 135.035 CSC[C@H](N)C(O)=O IDIDJDIHTAOVLG-VKHMYHEASA-N 7058174 BRD-K00024724-001-01-9 S-nitrosoglutathione 0 Tocris 603 SNOG 336.074 N[C@@H](CCC(=O)N[C@@H](CS[N+][O-])C(=O)NCC(O)=O)C(O)=O HYHSBSXUHZOYLX-WDSKDSINSA-N 104858 BRD-K59527975-236-01-8 S-sulfo-L-cysteine 0 90.28 Tocris 162 S-Sulfo-L-cysteine sodium salt 200.977 N[C@@H](CSS(O)(=O)=O)C(O)=O NOKPBJYHPHHWAN-REOHCLBHSA-N 7068808 BRD-K09774593-001-03-9 S-trityl-L-cysteine 0 86.33 Labotest LT00159603 tritylcysteine 363.129 N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O DLMYFMLKORXJPO-HXUWFJFHSA-N 7271796 BRD-K09774593-001-01-7 S-trityl-L-cysteine 0 18.45 Tocris 2191 S-Trityl-L-cysteine 363.129 N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O DLMYFMLKORXJPO-HXUWFJFHSA-N 7271796 BRD-K09774593-001-02-9 S-trityl-L-cysteine 0 92.53 Tocris 2191 S-Trityl-L-cysteine 363.129 N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O DLMYFMLKORXJPO-HXUWFJFHSA-N 7271796 BRD-K00004653-001-01-9 S15535 0 96.36 Sigma S5321 S15535 336.184 C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 QJPPEMXOOWNICQ-UHFFFAOYSA-N 132787 BRD-K02501528-001-01-1 S18986 0 95.87 EMDBio 504983-5MG S18986 224.062 O=S1(=O)N[C@H]2CCCN2c2ccccc12 MNTIJYGEITVWHU-SNVBAGLBSA-N 637863 BRD-K12745498-001-02-6 S1P1-agonist-III 0 64.83 Tocris 4747 TC-G 1006 415.114 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F MLDQTQOMWDNTNN-UHFFFAOYSA-N 54764919 BRD-K12745498-001-03-4 S1P1-agonist-III 0 94.83 MedChemEx HY-12835 S1P1 Agonist III 415.114 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F MLDQTQOMWDNTNN-UHFFFAOYSA-N 54764919 BRD-K12745498-001-01-8 S1P1-agonist-III 0 76.48 MedChemEx HY-12835 S1P1 Agonist III 415.114 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F MLDQTQOMWDNTNN-UHFFFAOYSA-N 54764919 BRD-K48826825-001-02-6 S26948 0 98.35 Tocris 3690 S26948 519.135 COC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)c2ccccc2)cc1)C(=O)OC NSMJEHGOMXSLCW-UHFFFAOYSA-N 9958279 BRD-K48826825-001-01-8 S26948 0 89.05 Tocris 3690 S26948 519.135 COC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)c2ccccc2)cc1)C(=O)OC NSMJEHGOMXSLCW-UHFFFAOYSA-N 9958279 BRD-K48826825-001-04-9 S26948 0 96.39 Tocris 3690 S26948 519.135 COC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)c2ccccc2)cc1)C(=O)OC NSMJEHGOMXSLCW-UHFFFAOYSA-N 9958279 BRD-K96798615-001-01-4 S4 0 26.89 Tocris 5577 S4 335.094 Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 HGVHSNXRZYOTPD-UHFFFAOYSA-N 53342705 BRD-K96798615-001-02-9 S4 0 91.97 Tocris 5577 S4 335.094 Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 HGVHSNXRZYOTPD-UHFFFAOYSA-N 53342705 BRD-K00003147-001-01-9 S49076 0 74.75 MedChemEx HY-12965 S49076 438.136 O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1 AREYWCZYVPSHGS-NVMNQCDNSA-N 49870909 BRD-K91876515-001-03-9 S63845 0 96.1 MedChemEx HY-100741 S63845 828.212 CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 ZFBHXVOCZBPADE-SSEXGKCCSA-N 122197581 BRD-K99819791-001-02-9 SA-47 0 81.6 Tocris 4785 SA 47 334.2 CNC(=O)COC(=O)NCCC1CCN(CC1)c1cccc(C)n1 HSYCMGWPPRTNKH-UHFFFAOYSA-N 9840648 BRD-K99819791-001-01-1 SA-47 0 93.41 Tocris 4785 SA 47 334.2 CNC(=O)COC(=O)NCCC1CCN(CC1)c1cccc(C)n1 HSYCMGWPPRTNKH-UHFFFAOYSA-N 9840648 BRD-K46493214-001-06-7 saccharin 0 98.63 MicroSource 1501171 SACCHARIN 182.999 O=C1NS(=O)(=O)c2ccccc12 CVHZOJJKTDOEJC-UHFFFAOYSA-N 5143 BRD-A24122750-001-03-7 saclofen 0 97.13 Tocris 246 Saclofen 249.023 "NC[C@@H](CS(O)(=O)=O)c1ccc(Cl)cc1 |&1:2,r|" JYLNVJYYQQXNEK-QMMMGPOBSA-N 57453816 BRD-A24122750-001-04-9 saclofen 0 94.33 Tocris 246 Saclofen 249.023 "NC[C@@H](CS(O)(=O)=O)c1ccc(Cl)cc1 |&1:2,r|" JYLNVJYYQQXNEK-QMMMGPOBSA-N 57453816 BRD-K91456750-001-01-9 sacubitril 0 99.1 MedChemEx HY-15407 AHU-377 411.205 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O PYNXFZCZUAOOQC-UTKZUKDTSA-N 9811834 BRD-K91456750-238-01-7 sacubitril 0 99.59 MedChemEx HY-15407A AHU-377 (hemicalcium salt) 411.205 CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O PYNXFZCZUAOOQC-UTKZUKDTSA-N 9811834 BRD-M32063731-001-01-7 BRD-K00003252-001-01-9 sacubitrilat 0 97.52 MedChemEx HY-17620 Sacubitrilat 383.173 [H]N([C@@H](C[C@@H](C)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(=O)CCC(O)=O DOBNVUFHFMVMDB-BEFAXECRSA-N 10430040 BRD-A96503329-001-01-7 safflower-yellow 0 0 MedChemEx HY-N0938 Safflower Yellow 910.217 "OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@]1(O)C(=O)[C@@H](\C=C2/C(=O)C(=C(O)\C=C\c3ccc(O)cc3)C(=O)[C@@](O)([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2=O)C(=O)C(=C(O)\C=C\c2ccc(O)cc2)C1=O |a:2,5,7,9,11,34,38,41,43,45,&1:4,&2:15,&3:20,&4:36,&5:51|" HLUBVUICXYRPPM-DVSWWXTKSA-N BRD-K92613113-001-03-9 safinamide 0 97 MedChemEx HY-70057 Safinamide 302.143 C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O NEMGRZFTLSKBAP-LBPRGKRZSA-N 131682 BRD-K92613113-066-02-7 safinamide 0 97.9 Selleck S1472 Safinamide Mesylate 302.143 C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O NEMGRZFTLSKBAP-LBPRGKRZSA-N 131682 BRD-K93944989-001-08-0 safingol 0 100 Enzo SL125 Dihydrosphingosine 301.298 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO OTKJDMGTUTTYMP-ZWKOTPCHSA-N 91486 BRD-K93944989-001-10-9 safingol 0 100 Tocris 749 Dihydrosphingosine 301.298 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO OTKJDMGTUTTYMP-ZWKOTPCHSA-N 91486 BRD-K90582192-001-01-9 safranal 0 0 Sigma MFCD00209531 "2,6,6-trimethyl-1,3-cyclohexadiene-1-carbaldehyde" 150.104 "CC1=C(C=O)C(C)(C)CC=C1 |c:1,9|" SGAWOGXMMPSZPB-UHFFFAOYSA-N 61041 BRD-K99433989-001-02-9 SAG 0 96.59 Tocris 4366 SAG 489.164 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl |r| VFSUUTYAEQOIMW-YHBQERECSA-N BRD-K99433989-001-01-3 SAG 0 90.09 Tocris 4366 SAG 489.164 CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl |r| VFSUUTYAEQOIMW-YHBQERECSA-N BRD-K01828772-001-06-9 sal003 0 95.43 Tocris 3657 Sal 003 460.969 "Clc1ccc(NC(=S)N[C@H](NC(=O)\C=C\c2ccccc2)C(Cl)(Cl)Cl)cc1 |&1:9,r|" TVNBASWNLOIQML-RFKZRZAASA-N 2252542 BRD-K01828772-001-07-9 sal003 0 95.48 Selleck S7437 Sal003 460.969 "Clc1ccc(NC(=S)N[C@H](NC(=O)\C=C\c2ccccc2)C(Cl)(Cl)Cl)cc1 |&1:9,r|" TVNBASWNLOIQML-RFKZRZAASA-N 2252542 BRD-K01828772-001-08-9 sal003 0 95.17 Tocris 3657 Sal 003 460.969 "Clc1ccc(NC(=S)N[C@H](NC(=O)\C=C\c2ccccc2)C(Cl)(Cl)Cl)cc1 |&1:9,r|" TVNBASWNLOIQML-RFKZRZAASA-N 2252542 BRD-K01828772-001-13-9 sal003 0 96.4 Tocris 3657 Sal 003 460.969 "Clc1ccc(NC(=S)N[C@H](NC(=O)\C=C\c2ccccc2)C(Cl)(Cl)Cl)cc1 |&1:9,r|" TVNBASWNLOIQML-RFKZRZAASA-N 2252542 BRD-K15045219-001-01-8 salazodine 0 90.31 Aronis BBC/534 2-hydroxy-5-[(4-{[(6-methoxy-3-pyridazinyl)amino]sulfonyl}phenyl)diazenyl]benzoic acid 429.074 COc1ccc(NS(=O)(=O)c2ccc(cc2)N=Nc2ccc(O)c(c2)C(O)=O)nn1 YFUATOCFMCWUEH-UHFFFAOYSA-N 65707 BRD-K64614248-001-13-9 salicin 0 89.31 MedChemEx HY-N0149 Salicin 286.105 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O NGFMICBWJRZIBI-UJPOAAIJSA-N 439503 BRD-K64614248-001-12-3 salicin 0 99.21 MicroSource 1502255 SALICIN 286.105 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O NGFMICBWJRZIBI-UJPOAAIJSA-N 439503 BRD-K64614248-001-11-5 salicin 0 96.21 Selleck S2351 Salicin 286.105 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O NGFMICBWJRZIBI-UJPOAAIJSA-N 439503 BRD-K08493205-001-05-9 salicyl-alcohol 0 91.32 MedChemEx HY-B1419 Salicyl alcohol 124.052 OCc1ccccc1O CQRYARSYNCAZFO-UHFFFAOYSA-N 5146 BRD-K08493205-001-04-9 salicyl-alcohol 0 98.21 MicroSource 1500531 SALICYL ALCOHOL 124.052 OCc1ccccc1O CQRYARSYNCAZFO-UHFFFAOYSA-N 5146 BRD-K81130846-001-18-9 salicylamide 0 95 MedChemEx HY-B0811 Salicylamide 137.048 NC(=O)c1ccccc1O SKZKKFZAGNVIMN-UHFFFAOYSA-N 5147 BRD-K81130846-001-17-4 salicylamide 0 98.74 MicroSource 1500532 SALICYLAMIDE 137.048 NC(=O)c1ccccc1O SKZKKFZAGNVIMN-UHFFFAOYSA-N 5147 BRD-K83036479-001-11-9 salicylanilide 0 96.66 MedChemEx HY-B1408 Salicylanilide 213.079 Oc1ccccc1C(=O)Nc1ccccc1 WKEDVNSFRWHDNR-UHFFFAOYSA-N 6872 BRD-K83036479-001-09-2 salicylanilide 0 99.27 MicroSource 300618 SALICYLANILIDE 213.079 Oc1ccccc1C(=O)Nc1ccccc1 WKEDVNSFRWHDNR-UHFFFAOYSA-N 6872 BRD-K83036479-001-08-4 salicylanilide 0 98.72 Selleck S4187 Salicylanilide 213.079 Oc1ccccc1C(=O)Nc1ccccc1 WKEDVNSFRWHDNR-UHFFFAOYSA-N 6872 BRD-K93632104-001-20-9 salicylic-acid 0 98.54 MedChemEx HY-B0167 Salicylic acid 138.032 OC(=O)c1ccccc1O YGSDEFSMJLZEOE-UHFFFAOYSA-N 338 BRD-K93632104-001-19-8 salicylic-acid 0 96.34 Selleck S3137 Sodium salicylate 138.032 OC(=O)c1ccccc1O YGSDEFSMJLZEOE-UHFFFAOYSA-N 338 BRD-M30512773-001-05-5 BRD-K93632104-001-18-0 salicylic-acid 0 98.74 MicroSource 1500533 SODIUM SALICYLATE 138.032 OC(=O)c1ccccc1O YGSDEFSMJLZEOE-UHFFFAOYSA-N 338 BRD-M30512773-001-06-3 BRD-K93632104-001-17-2 salicylic-acid 0 98.29 MicroSource 1500535 SALICYLIC ACID 138.032 OC(=O)c1ccccc1O YGSDEFSMJLZEOE-UHFFFAOYSA-N 338 BRD-K66030860-001-04-4 salidroside 0 97.85 Selleck S2396 Salidroside (Rhodioloside) 300.121 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ILRCGYURZSFMEG-RKQHYHRCSA-N 159278 BRD-K66030860-001-03-6 salidroside 0 79.16 Selleck S2396 Salidroside 300.121 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ILRCGYURZSFMEG-RKQHYHRCSA-N 159278 BRD-K23414042-236-05-9 salinomycin 0 90.7 Tocris 3637 Salinomycin sodium salt 750.492 CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@H]3CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)C(O)=O |c:46| KQXDHUJYNAXLNZ-XQSDOZFQSA-N 3085092 BRD-K98453471-001-03-9 salirasib 0 97.66 Tocris 4989 Salirasib 358.197 CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(O)=O WUILNKCFCLNXOK-CFBAGHHKSA-N 5469318 BRD-K98453471-001-01-7 salirasib 0 91.85 MedChemEx HY-14754 Salirasib 358.197 CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ccccc1C(O)=O WUILNKCFCLNXOK-CFBAGHHKSA-N 5469318 BRD-K01826763-104-12-9 salmeterol 0 26.2 Sigma MFCD00897708 1-hydroxy-2-naphthoic acid compound with 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol (1:1) 603.32 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1 |&1:9| GIIZNNXWQWCKIB-VWLOTQADSA-N 6604001 BRD-K01826763-104-11-9 salmeterol 0 32.14 MedChemEx HY-17453 Salmeterol (xinafoate) 603.32 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1 |&1:9| GIIZNNXWQWCKIB-VWLOTQADSA-N 6604001 BRD-K01826763-104-14-9 salmeterol 0 67.68 MedChemEx HY-17453 Salmeterol (xinafoate) 603.32 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1 |&1:9| GIIZNNXWQWCKIB-VWLOTQADSA-N 6604001 BRD-K01826763-104-13-9 salmeterol 0 28.09 Tocris 4712 Salmeterol xinafoate 603.32 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1 |&1:9| GIIZNNXWQWCKIB-VWLOTQADSA-N 6604001 BRD-K01826763-104-10-9 salmeterol 0 43.02 Tocris 4712 Salmeterol xinafoate 603.32 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1 |&1:9| GIIZNNXWQWCKIB-VWLOTQADSA-N 6604001 BRD-A49952467-001-03-9 salsolinol-1-carboxylic-acid 0 24.5 Tocris 636 Salsolinol-1-carboxylic acid 223.084 "C[C@]1(NCCc2cc(O)c(O)cc12)C(O)=O |&1:1,r|" XHGLVMDBZZZXDP-LLVKDONJSA-N 6992720 BRD-A49952467-001-02-4 salsolinol-1-carboxylic-acid 0 0 Tocris 636 Salsolinol-1-carboxylic acid 223.084 "C[C@]1(NCCc2cc(O)c(O)cc12)C(O)=O |&1:1,r|" XHGLVMDBZZZXDP-LLVKDONJSA-N 6992720 BRD-A45107007-001-06-7 salubrinal 0 94.61 Tocris 2347 Salubrinal 478.019 "ClC(Cl)(Cl)[C@H](NC(=S)Nc1cccc2cccnc12)NC(=O)\C=C\c1ccccc1 |&1:4,r|" LCOIAYJMPKXARU-CVTTXWKISA-N 2305942 BRD-A45107007-001-03-4 salubrinal 0 82.04 Tocris 2347 Salubrinal 478.019 "ClC(Cl)(Cl)[C@H](NC(=S)Nc1cccc2cccnc12)NC(=O)\C=C\c1ccccc1 |&1:4,r|" LCOIAYJMPKXARU-CVTTXWKISA-N 2305942 BRD-A45107007-001-05-9 salubrinal 0 97.81 Selleck S2923 Salubrinal 478.019 "ClC(Cl)(Cl)[C@H](NC(=S)Nc1cccc2cccnc12)NC(=O)\C=C\c1ccccc1 |&1:4,r|" LCOIAYJMPKXARU-CVTTXWKISA-N 2305942 BRD-A45107007-001-02-6 salubrinal 0 76.9 Selleck S2923 Salubrinal 478.019 "ClC(Cl)(Cl)[C@H](NC(=S)Nc1cccc2cccnc12)NC(=O)\C=C\c1ccccc1 |&1:4,r|" LCOIAYJMPKXARU-CVTTXWKISA-N 2305942 BRD-K00005247-001-01-9 salvianolic-acid-A 0 100 MedChemEx HY-N0318 Salvianolic acid A 494.121 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 YMGFTDKNIWPMGF-UCPJVGPRSA-N 5281793 BRD-K18898553-001-01-1 salvianolic-acid-B 0 95.4 AvaChem 1069 "(2R)-2-({(2E)-3-[(2R,3R)-3-({[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxy}carbonyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propano" 718.153 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@H]([C@H](C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1 SNKFFCBZYFGCQN-PDVBOLEISA-N 11629084 BRD-K19284129-001-04-9 salvinorin-A 0 87.61 Tocris 2134 Salvinorin A 432.178 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 OBSYBRPAKCASQB-AGQYDFLVSA-N 128563 BRD-K19284129-001-02-6 salvinorin-A 0 96.14 Enzo NO109 Salvinorin A 432.178 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 OBSYBRPAKCASQB-AGQYDFLVSA-N 128563 BRD-K00004553-001-01-9 SAM-315 0 92.25 Sigma MFCD18782706 3-(1-naphthylsulfonyl)-5-(1-piperazinyl)-1H-indazole 392.131 O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12 FYOVZCDHYOEKDE-UHFFFAOYSA-N 10430623 BRD-K00004552-001-01-9 sameridine 0 91.84 Sigma MFCD00864427 N-ethyl-1-hexyl-N-methyl-4-phenyl-4-piperidinecarboxamide 330.267 CCCCCCN1CCC(CC1)(C(=O)N(C)CC)c1ccccc1 TYWUGCGYWNSRPS-UHFFFAOYSA-N 65996 BRD-K37747025-001-08-2 sanazole 0 98.04 Asinex BAS 00535149 "N-(2-methoxyethyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide" 229.081 COCCNC(=O)Cn1cnc(n1)[N+]([O-])=O YKDRHKCETNMLHL-UHFFFAOYSA-N 119163 BRD-K00003242-001-01-9 sancycline 0 80.98 MedChemEx HY-17466 Sancycline 414.143 "[H][C@@]12Cc3cccc(O)c3C(=O)[C@@H]1C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2 |&1:19,&2:12|" CRNIKQQPTHSPBA-IEPLVVIMSA-N BRD-K36169695-001-02-9 sangivamycin 0 95.03 Toronto S112503 sangivamycin 309.107 NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 OBZJZDHRXBKKTJ-JTFADIMSSA-N 14978 BRD-K66898851-003-02-5 sanguinarium-chloride 0 69.49 MicroSource 310035 SANGUINARIUM CHLORIDE 332.092 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 INVGWHRKADIJHF-UHFFFAOYSA-N 5154 BRD-K66898851-003-03-3 sanguinarium-chloride 0 92.68 Sigma S5890 "13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium chloride" 332.092 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 INVGWHRKADIJHF-UHFFFAOYSA-N 5154 BRD-K99741577-001-03-3 SANT-1 0 94.89 Tocris 1974 SANT-1 373.227 Cc1nn(c(C)c1\C=N\N1CCN(Cc2ccccc2)CC1)-c1ccccc1 FOORCIAZMIWALX-JJIBRWJFSA-N 6878030 BRD-K99741577-001-04-9 SANT-1 0 95.43 Tocris 1974 SANT-1 373.227 Cc1nn(c(C)c1\C=N\N1CCN(Cc2ccccc2)CC1)-c1ccccc1 FOORCIAZMIWALX-JJIBRWJFSA-N 6878030 BRD-K99741577-001-01-7 SANT-1 0 96.37 Selleck S7092 SANT-1 373.227 Cc1nn(c(C)c1\C=N\N1CCN(Cc2ccccc2)CC1)-c1ccccc1 FOORCIAZMIWALX-JJIBRWJFSA-N 6878030 BRD-K99741577-001-02-5 SANT-1 0 91.53 Tocris 1974 SANT-1 373.227 Cc1nn(c(C)c1\C=N\N1CCN(Cc2ccccc2)CC1)-c1ccccc1 FOORCIAZMIWALX-JJIBRWJFSA-N 6878030 BRD-K35781423-001-02-4 SANT-2 0 96.19 Tocris 3617 SANT-2 479.161 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 VQOJFGFKIVFMDH-UHFFFAOYSA-N 1367095 BRD-K35781423-001-01-6 SANT-2 0 98.44 Tocris 3617 SANT-2 479.161 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 VQOJFGFKIVFMDH-UHFFFAOYSA-N 1367095 BRD-K35781423-001-03-9 SANT-2 0 97.6 Tocris 3617 SANT-2 479.161 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 VQOJFGFKIVFMDH-UHFFFAOYSA-N 1367095 BRD-K00003214-001-01-9 sapacitabine 0 100 MedChemEx HY-16445 Sapacitabine 490.316 CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1 LBGFKUUHOPIEMA-PEARBKPGSA-N 153970 BRD-K36859431-300-04-9 sapropterin 0 71.15 Cayman 81880 "(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone dihydrochloride" 241.117 C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 FNKQXYHWGSIFBK-RPDRRWSUSA-N 135398654 BRD-K36859431-300-03-1 sapropterin 0 0 Cayman 81880 "(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone dihydrochloride" 241.117 C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 FNKQXYHWGSIFBK-RPDRRWSUSA-N 135398654 BRD-K36859431-300-02-3 sapropterin 0 84.77 Cayman 81880 241.117 C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 FNKQXYHWGSIFBK-RPDRRWSUSA-N 135398654 BRD-K09963420-066-14-9 saquinavir 0 95.59 Tocris 4418 Saquinavir mesylate 670.384 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 QWAXKHKRTORLEM-UGJKXSETSA-N 441243 BRD-K09963420-066-12-5 saquinavir 0 94.64 Tocris 4418 Saquinavir mesylate 670.384 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 QWAXKHKRTORLEM-UGJKXSETSA-N 441243 BRD-K09963420-066-13-9 saquinavir 0 97.88 MedChemEx HY-17003 Saquinavir (Mesylate) 670.384 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 QWAXKHKRTORLEM-UGJKXSETSA-N 441243 BRD-K75308783-001-07-0 SAR-245409 0 95.59 Selleck S1523 SAR245409 (XL765) 599.184 COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1 HJSSPYJVWLTYHG-UHFFFAOYSA-N 49867926 BRD-K38904395-001-02-3 SAR131675 0 94.88 Selleck S2842 SAR131675 358.164 CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC PFMPOBVAYMTUOX-GOSISDBHSA-N 71295845 BRD-K38904395-001-03-9 SAR131675 0 95.92 MedChemEx HY-15458 SAR131675 358.164 CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC PFMPOBVAYMTUOX-GOSISDBHSA-N 71295845 BRD-K72868067-001-02-4 SAR405 0 93.1 MedChemEx HY-12481 SAR405 443.134 C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F SPDQRCUBFSRAFI-DOMZBBRYSA-N 72709209 BRD-K45349653-001-03-9 SAR405838 0 63.51 MedChemEx HY-17493 561.196 CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 IDKAKZRYYDCJDU-HBMMIIHUSA-N BRD-K45349653-001-01-1 SAR405838 0 87.15 Selleck S7649 MI-773 (SAR405838) 561.196 CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 IDKAKZRYYDCJDU-HBMMIIHUSA-N BRD-K45349653-001-02-9 SAR405838 0 48.78 MedChemEx HY-17493 MI-773 561.196 CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 IDKAKZRYYDCJDU-HBMMIIHUSA-N BRD-K56912469-003-02-0 SAR407899 0 94.32 MedChemEx HY-15687 SAR407899 (hydrochloride) 244.121 O=c1[nH]ccc2cc(OC3CCNCC3)ccc12 IPEXHQGMTHOKQV-UHFFFAOYSA-N 15604510 BRD-K56912469-003-01-2 SAR407899 0 93.29 MedChemEx HY-15687 SAR407899 (hydrochloride) 244.121 O=c1[nH]ccc2cc(OC3CCNCC3)ccc12 IPEXHQGMTHOKQV-UHFFFAOYSA-N 15604510 BRD-K19540840-001-09-4 saracatinib 0 94.01 Selleck S1006 Saracatinib (AZD0530) 541.209 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 OUKYUETWWIPKQR-UHFFFAOYSA-N 10302451 BRD-K19540840-001-14-4 saracatinib 0 Stanley Saracatinib 541.209 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 "InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)" 10302451 BRD-K08525451-003-06-0 sarafloxacin 0 84.45 MicroSource 1505314 SARAFLOXACIN HYDROCHLORIDE 385.124 OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O XBHBWNFJWIASRO-UHFFFAOYSA-N 56208 BRD-K08525451-003-07-9 sarafloxacin 0 95.86 MedChemEx HY-B0343A Sarafloxacin (hydrochloride) 385.124 OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O XBHBWNFJWIASRO-UHFFFAOYSA-N 56208 BRD-K08525451-003-05-2 sarafloxacin 0 92.94 Selleck S1977 Sarafloxacin HCl 385.124 OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O XBHBWNFJWIASRO-UHFFFAOYSA-N 56208 BRD-K51263939-001-08-6 sarcosine 0 86.26 Enamine Z104480276 89.048 CNCC(O)=O FSYKKLYZXJSNPZ-UHFFFAOYSA-N 7311726 BRD-K00003165-300-01-9 sardomozide 0 89.7 MedChemEx HY-13746B Sardomozide dihydrochloride 230.128 NC(=N)N\N=C1/CCc2c1cccc2C(N)=N CYPGNVSXMAUSJY-CXUHLZMHSA-N 9576789 BRD-A92448440-001-01-3 sari-59-801 0 93.49 Sigma MFCD00159831 2-(dimethylamino)-1-[2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indol-3-yl]ethanol 313.179 "CCc1noc(C)c1-c1[nH]c2ccccc2c1[C@@H](O)CN(C)C |&1:17,r|" GMGOZCSXMVXXRS-HNNXBMFYSA-N 92236766 BRD-K79878800-239-02-9 saroglitazar 0 67.76 MedChemEx HY-19937A Saroglitazar Magnesium 439.182 CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(O)=O MRWFZSLZNUJVQW-DEOSSOPVSA-N 60151560 BRD-K79878800-001-01-0 saroglitazar 0 51.78 Synnovator PBLJ6347 439.182 CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(O)=O MRWFZSLZNUJVQW-DEOSSOPVSA-N 60151560 BRD-A34358106-003-02-4 sarpogrelate 0 92.4 Tocris 3739 Sarpogrelate hydrochloride 429.215 COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(O)=O)c1 |&1:17| FFYNAVGJSYHHFO-OAQYLSRUSA-N 40468125 BRD-A34358106-003-01-6 sarpogrelate 0 93.14 MedChemEx HY-10564 Sarpogrelate (hydrochloride) 429.215 COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(O)=O)c1 |&1:17| FFYNAVGJSYHHFO-OAQYLSRUSA-N 40468125 BRD-A34358106-003-03-9 sarpogrelate 0 93.59 Tocris 3739 Sarpogrelate hydrochloride 429.215 COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(O)=O)c1 |&1:17| FFYNAVGJSYHHFO-OAQYLSRUSA-N 40468125 BRD-K48892307-001-05-8 sasapyrine 0 0.82 MicroSource 200331 SALSALATE 258.053 OC(=O)c1ccccc1OC(=O)c1ccccc1O WVYADZUPLLSGPU-UHFFFAOYSA-N 5161 BRD-K48892307-001-06-9 sasapyrine 0 97.56 MedChemEx HY-B1245 Salsalate 258.053 OC(=O)c1ccccc1OC(=O)c1ccccc1O WVYADZUPLLSGPU-UHFFFAOYSA-N 5161 BRD-K48892307-001-04-1 sasapyrine 0 97.73 Selleck S4188 Sasapyrine 258.053 OC(=O)c1ccccc1OC(=O)c1ccccc1O WVYADZUPLLSGPU-UHFFFAOYSA-N 5161 BRD-K42497885-001-01-1 satraplatin 1 0 MedChemEx HY-17576 Satraplatin 497.045 CC(=O)O[Pt](N)(Cl)(Cl)(NC1CCCCC1)OC(C)=O JWTNVKZACPRKPF-UHFFFAOYSA-J BRD-K50134774-416-01-3|BRD-U84587623-000-01-5 BRD-K42497885-001-02-9 satraplatin 1 96.09 MedChemEx HY-17576 Satraplatin 497.045 CC(=O)O[Pt](N)(Cl)(Cl)(NC1CCCCC1)OC(C)=O JWTNVKZACPRKPF-UHFFFAOYSA-J BRD-K98028353-001-02-8 savolitinib 0 97.52 MedChemEx HY-15959 Savolitinib 345.145 C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 XYDNMOZJKOGZLS-NSHDSACASA-N 68289010 BRD-K98028353-001-01-0 savolitinib 0 0 MedChemEx HY-15959 Savolitinib 345.145 C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 XYDNMOZJKOGZLS-NSHDSACASA-N 68289010 BRD-K00003546-001-01-9 saxagliptin 0 100 MedChemEx HY-10285 Saxagliptin 315.195 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 QGJUIPDUBHWZPV-YQBUGCKMSA-N BRD-K77677632-003-03-4 SB-200646 0 94.64 Tocris 1371 SB 200646 hydrochloride 266.117 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12 OJZZJTLBYXHUSJ-UHFFFAOYSA-N 126769 BRD-K77677632-003-07-9 SB-200646 0 95.25 Tocris 1371 SB 200646 hydrochloride 266.117 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12 OJZZJTLBYXHUSJ-UHFFFAOYSA-N 126769 BRD-K77677632-003-02-6 SB-200646 0 95.8 Tocris 1371 SB 200646 hydrochloride 266.117 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12 OJZZJTLBYXHUSJ-UHFFFAOYSA-N 126769 BRD-K54330070-001-19-6 SB-202190 0 90.9 Tocris 1264 SB 202190 331.112 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 QHKYPYXTTXKZST-UHFFFAOYSA-N 5169 BRD-K54330070-001-16-2 SB-202190 0 83 Tocris 1264 SB 202190 331.112 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 QHKYPYXTTXKZST-UHFFFAOYSA-N 5169 BRD-K54330070-001-15-4 SB-202190 0 94.52 Selleck S1077 SB202190 (FHPI) 331.112 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 QHKYPYXTTXKZST-UHFFFAOYSA-N 5169 BRD-K27141178-003-08-9 SB-203186 0 97.84 Tocris 785 SB 203186 hydrochloride 272.152 O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12 YGKPIROTKVQCCU-UHFFFAOYSA-N 3272300 BRD-K27141178-003-07-3 SB-203186 0 98.69 Tocris 785 SB 203186 hydrochloride 272.152 O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12 YGKPIROTKVQCCU-UHFFFAOYSA-N 3272300 BRD-K01826796-001-03-9 SB-203580 0 98.22 Selleck SB203580 377.1 C[S@@](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |&1:1| CDMGBJANTYXAIV-HHHXNRCGSA-N 40467016 BRD-K01826796-003-02-9 SB-203580 0 94.57 Tocris 1402 377.1 C[S@@](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |&1:1| CDMGBJANTYXAIV-HHHXNRCGSA-N 40467016 BRD-A22707317-001-11-6 SB-205384 0 92.06 Tocris 1512 SB 205384 330.104 "CC#CCOC(=O)c1c(C)nc2sc3C[C@@H](O)CCc3c2c1N |&1:15,r|" JDTZAGLGBRRCJT-JTQLQIEISA-N 15991599 BRD-A22707317-001-12-9 SB-205384 0 92.88 Tocris 1512 SB 205384 330.104 "CC#CCOC(=O)c1c(C)nc2sc3C[C@@H](O)CCc3c2c1N |&1:15,r|" JDTZAGLGBRRCJT-JTQLQIEISA-N 15991599 BRD-A22707317-001-10-8 SB-205384 0 96.8 Tocris 1512 SB 205384 330.104 "CC#CCOC(=O)c1c(C)nc2sc3C[C@@H](O)CCc3c2c1N |&1:15,r|" JDTZAGLGBRRCJT-JTQLQIEISA-N 15991599 BRD-K36395411-003-03-0 SB-206553 0 94.17 Tocris 1661 SB 206553 hydrochloride 292.132 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 QJQORSLQNXDVGE-UHFFFAOYSA-N 5163 BRD-K36395411-003-06-9 SB-206553 0 95.94 Tocris 1661 SB 206553 hydrochloride 292.132 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 QJQORSLQNXDVGE-UHFFFAOYSA-N 5163 BRD-K36395411-003-02-2 SB-206553 0 89.59 Tocris 1661 SB 206553 hydrochloride 292.132 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 QJQORSLQNXDVGE-UHFFFAOYSA-N 5163 BRD-K30867024-003-03-3 SB-216641 0 92.59 Tocris 1242 SB 216641 hydrochloride 486.227 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C JRNUKVFYILMMLX-UHFFFAOYSA-N 3292447 BRD-K59184148-001-21-6 SB-216763 0 98.45 Selleck S1075 SB216763 370.028 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| JCSGFHVFHSKIJH-UHFFFAOYSA-N 176158 BRD-K59184148-001-22-4 SB-216763 0 97.33 Tocris 1616 SB 216763 370.028 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| JCSGFHVFHSKIJH-UHFFFAOYSA-N 176158 BRD-A06352508-001-03-7 SB-218078 0 96.54 Tocris 2560 SB 218078 393.111 "O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |&1:15,&2:18,r|" OTPNDVKVEAIXTI-UHFFFAOYSA-N 3387354 BRD-A06352508-001-05-2 SB-218078 0 95.58 Tocris 2560 SB 218078 393.111 "O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |&1:15,&2:18,r|" OTPNDVKVEAIXTI-UHFFFAOYSA-N 3387354 BRD-K61097567-001-09-3 SB-218795 0 95.63 Tocris 1376 SB 218795 396.147 COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 IUMQXQJZIHWLIN-HSZRJFAPSA-N 6604858 BRD-K61097567-001-10-9 SB-218795 0 97.4 Tocris 1376 SB 218795 396.147 COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 IUMQXQJZIHWLIN-HSZRJFAPSA-N 6604858 BRD-K61097567-001-08-5 SB-218795 0 89.16 Tocris 1376 SB 218795 396.147 COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 IUMQXQJZIHWLIN-HSZRJFAPSA-N 6604858 BRD-K14807180-001-03-9 SB-221284 0 93.32 Tocris 1379 SB 221284 353.081 CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F OQZOXHCRSXYSPM-UHFFFAOYSA-N 443389 BRD-K14807180-001-02-5 SB-221284 0 96.67 Tocris 1379 SB 221284 353.081 CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F OQZOXHCRSXYSPM-UHFFFAOYSA-N 443389 BRD-K04414442-001-09-1 SB-222200 0 97.1 Tocris 1393 SB 222200 380.189 CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 MQNYRKWJSMQECI-QFIPXVFZSA-N 6604009 BRD-K04414442-001-10-9 SB-222200 0 97.19 Tocris 1393 SB 222200 380.189 CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 MQNYRKWJSMQECI-QFIPXVFZSA-N 6604009 BRD-K04414442-001-08-3 SB-222200 0 99.49 Tocris 1393 SB 222200 380.189 CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 MQNYRKWJSMQECI-QFIPXVFZSA-N 6604009 BRD-K61323504-001-06-5 SB-225002 0 95.29 Tocris 2725 SB 225002 350.985 Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O MQBZVUNNWUIPMK-UHFFFAOYSA-N 3854666 BRD-K61323504-001-04-0 SB-225002 0 97.9 Tocris 2725 SB 225002 350.985 Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O MQBZVUNNWUIPMK-UHFFFAOYSA-N 3854666 BRD-K15424032-001-04-4 SB-228357 0 97.89 Tocris 1375 SB 228357 431.126 COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F RRJLJKRFFRZRAF-UHFFFAOYSA-N 443390 BRD-K15424032-001-03-6 SB-228357 0 96.95 Tocris 1375 SB 228357 431.126 COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F RRJLJKRFFRZRAF-UHFFFAOYSA-N 443390 BRD-K98795921-001-01-7 SB-2343 0 96.34 MedChemEx HY-16585 VS-5584 354.192 CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1 QYBGBLQCOOISAR-UHFFFAOYSA-N 46912230 BRD-K98795921-001-02-9 SB-2343 0 94.71 MedChemEx HY-16585 VS-5584 354.192 CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1 QYBGBLQCOOISAR-UHFFFAOYSA-N 46912230 BRD-K82091397-001-04-9 SB-239063 0 96.09 Tocris 1962 SB 239063 368.165 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |r| ZQUSFAUAYSEREK-WKILWMFISA-N BRD-K82091397-001-03-0 SB-239063 0 95.27 Tocris 1962 SB 239063 368.165 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |r| ZQUSFAUAYSEREK-WKILWMFISA-N BRD-K19412355-001-02-9 SB-242235 0 91.5 MedChemEx HY-18306 SB 242235 353.165 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 PDTYLGXVBIWRIM-UHFFFAOYSA-N 9863367 BRD-K19412355-001-01-0 SB-242235 0 88.4 MedChemEx HY-18306 SB 242235 353.165 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 PDTYLGXVBIWRIM-UHFFFAOYSA-N 9863367 BRD-K99968849-300-01-4 SB-243213 0 96.44 Tocris 3527 SB 243213 dihydrochloride 428.146 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F ZETBBVYSBABLHL-UHFFFAOYSA-N 443391 BRD-K99968849-300-02-9 SB-243213 0 97.34 Tocris 3527 SB 243213 dihydrochloride 428.146 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F ZETBBVYSBABLHL-UHFFFAOYSA-N 443391 BRD-K80639402-003-03-9 SB-258585 0 94.76 Tocris 1961 SB 258585 hydrochloride 487.043 COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1 BDHMSYNBSBZCAF-UHFFFAOYSA-N 3248571 BRD-K80639402-003-02-9 SB-258585 0 94 Tocris 1961 SB 258585 hydrochloride 487.043 COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1 BDHMSYNBSBZCAF-UHFFFAOYSA-N 3248571 BRD-A91031770-001-01-8 SB-268262 0 95.7 Tocris 4314 SB 268262 401.05 "CN(C(=O)c1ccc(c(c1)[N+]([O-])=O)[S@@](=O)c1nccs1)c1ccccc1C |&1:13,r|" YXHLPJQQPOMPGE-HHHXNRCGSA-N 93475590 BRD-A91031770-001-02-9 SB-268262 0 97.6 Tocris 4314 SB 268262 401.05 "CN(C(=O)c1ccc(c(c1)[N+]([O-])=O)[S@@](=O)c1nccs1)c1ccccc1C |&1:13,r|" YXHLPJQQPOMPGE-HHHXNRCGSA-N 93475590 BRD-K24201553-003-12-3 SB-269970 0 97.96 Tocris 1612 SB 269970 hydrochloride 352.182 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 HWKROQUZSKPIKQ-MRXNPFEDSA-N 6604889 BRD-K24201553-003-10-7 SB-269970 0 95.87 Selleck S2849 SB269970 HCl 352.182 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 HWKROQUZSKPIKQ-MRXNPFEDSA-N 6604889 BRD-K24201553-003-13-9 SB-269970 0 96.84 Tocris 1612 SB 269970 hydrochloride 352.182 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 HWKROQUZSKPIKQ-MRXNPFEDSA-N 6604889 BRD-K24201553-003-11-5 SB-269970 0 97.46 Tocris 1612 SB 269970 hydrochloride 352.182 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 HWKROQUZSKPIKQ-MRXNPFEDSA-N 6604889 BRD-K82467063-003-01-5 SB-271046 0 93.85 Tocris 3368 SB 271046 hydrochloride 451.079 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 LOCQRDBFWSXQQI-UHFFFAOYSA-N 5312149 BRD-K82467063-003-04-9 SB-271046 0 95.33 Tocris 3368 SB 271046 hydrochloride 451.079 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 LOCQRDBFWSXQQI-UHFFFAOYSA-N 5312149 BRD-K82467063-001-02-7 SB-271046 0 94.47 Selleck S2856 SB271046 451.079 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 LOCQRDBFWSXQQI-UHFFFAOYSA-N 5312149 BRD-K16107558-001-01-4 SB-297006 0 91 Tocris 4213 SB 297006 342.122 CCOC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1 BEZXGSZPWXRHIN-INIZCTEOSA-N 9840971 BRD-K16107558-001-02-9 SB-297006 0 95.38 Tocris 4213 SB 297006 342.122 CCOC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1 BEZXGSZPWXRHIN-INIZCTEOSA-N 9840971 BRD-K78720403-001-02-4 SB-328437 0 97.21 Tocris 3650 SB 328437 378.122 COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 VMFGCGRAIBLAFY-IBGZPJMESA-N 10474776 BRD-K78720403-001-01-6 SB-328437 0 97.15 Tocris 3650 SB 328437 378.122 COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 VMFGCGRAIBLAFY-IBGZPJMESA-N 10474776 BRD-K78720403-001-03-9 SB-328437 0 95.77 Tocris 3650 SB 328437 378.122 COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 VMFGCGRAIBLAFY-IBGZPJMESA-N 10474776 BRD-K41567364-001-05-3 SB-334867 0 99.08 Tocris 1960 SB 334867 319.107 Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 AKMNUCBQGHFICM-UHFFFAOYSA-N 6604926 BRD-K41567364-001-04-6 SB-334867 0 97.98 Tocris 1960 SB 334867 319.107 Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 AKMNUCBQGHFICM-UHFFFAOYSA-N 6604926 BRD-K61536336-001-02-5 SB-366791 0 99.59 Tocris 1615 SB 366791 287.071 COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1 RYAMDQKWNKKFHD-JXMROGBWSA-N 667594 BRD-K61536336-001-03-9 SB-366791 0 93.66 Tocris 1615 SB 366791 287.071 COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1 RYAMDQKWNKKFHD-JXMROGBWSA-N 667594 BRD-K61536336-001-01-7 SB-366791 0 99.25 Tocris 1615 SB 366791 287.071 COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1 RYAMDQKWNKKFHD-JXMROGBWSA-N 667594 BRD-K03988082-001-01-7 SB-399885 0 96.08 Tocris 3189 SB 399885 hydrochloride 445.063 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC ATKZKAYWARYLBW-UHFFFAOYSA-N 6918649 BRD-K03988082-003-02-9 SB-399885 0 97.19 Tocris 3189 SB 399885 hydrochloride 445.063 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC ATKZKAYWARYLBW-UHFFFAOYSA-N 6918649 BRD-K53913732-001-07-5 SB-408124 0 86.92 Tocris 1963 SB 408124 356.145 CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 JTARFZSNUAGHRB-UHFFFAOYSA-N 4331799 BRD-K53913732-001-06-7 SB-408124 0 95.35 Selleck S1545 SB-408124 356.145 CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 JTARFZSNUAGHRB-UHFFFAOYSA-N 4331799 BRD-K53913732-001-05-9 SB-408124 0 91.61 Tocris 1963 SB 408124 356.145 CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 JTARFZSNUAGHRB-UHFFFAOYSA-N 4331799 BRD-K53913732-001-04-2 SB-408124 0 87.39 Selleck S1545 SB408124 356.145 CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 JTARFZSNUAGHRB-UHFFFAOYSA-N 4331799 BRD-K76805682-001-18-9 SB-415286 0 77.81 Tocris 1617 SB 415286 359.031 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| PQCXVIPXISBFPN-UHFFFAOYSA-N 4210951 BRD-K76805682-001-17-5 SB-415286 0 91.95 Selleck S2729 SB 415286 359.031 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| PQCXVIPXISBFPN-UHFFFAOYSA-N 4210951 BRD-K76805682-001-15-9 SB-415286 0 76.71 Selleck S2729 SB415286 359.031 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| PQCXVIPXISBFPN-UHFFFAOYSA-N 4210951 BRD-K76805682-001-16-7 SB-415286 0 67.18 Tocris 1617 SB 415286 359.031 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| PQCXVIPXISBFPN-UHFFFAOYSA-N 4210951 BRD-K67298865-001-08-2 SB-431542 0 96.67 Selleck S1067 SB431542 384.122 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 FHYUGAJXYORMHI-UHFFFAOYSA-N 4521392 BRD-K67298865-001-10-8 SB-431542 0 98.92 Tocris 1614 SB 431542 384.122 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 FHYUGAJXYORMHI-UHFFFAOYSA-N 4521392 BRD-K67298865-001-09-0 SB-431542 0 96.97 Tocris 1614 SB 431542 384.122 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 FHYUGAJXYORMHI-UHFFFAOYSA-N 4521392 BRD-K03665769-001-01-1 SB-452533 0 91.86 Tocris 3265 SB 452533 375.095 CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 IFJYEGJUQIBBQV-UHFFFAOYSA-N 9842609 BRD-K03665769-001-02-9 SB-452533 0 93.09 Tocris 3265 SB 452533 375.095 CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 IFJYEGJUQIBBQV-UHFFFAOYSA-N 9842609 BRD-K40109029-001-02-9 SB-505124 0 98.07 Selleck S2186 SB505124 335.163 Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C WGZOTBUYUFBEPZ-UHFFFAOYSA-N 9858940 BRD-K37720887-001-07-8 SB-525334 0 95.92 Selleck S1476 SB525334 343.18 Cc1cccc(n1)-c1nc([nH]c1-c1ccc2nccnc2c1)C(C)(C)C DKPQHFZUICCZHF-UHFFFAOYSA-N 9967941 BRD-K37720887-001-08-6 SB-525334 0 94.99 Tocris 3211 SB 525334 343.18 Cc1cccc(n1)-c1nc([nH]c1-c1ccc2nccnc2c1)C(C)(C)C DKPQHFZUICCZHF-UHFFFAOYSA-N 9967941 BRD-K78809024-001-03-2 SB-590885 0 87.33 Selleck SB590885 453.216 CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(CCc2c1)=N\O)-c1ccncc1 MLSAQOINCGAULQ-QFMPWRQOSA-N 135421339 BRD-K78809024-001-05-7 SB-590885 0 85.56 Selleck S2220 SB590885 453.216 CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(CCc2c1)=N\O)-c1ccncc1 MLSAQOINCGAULQ-QFMPWRQOSA-N 135421339 BRD-K01253243-001-03-0 BRD-K78809024-001-02-4 SB-590885 0 80.49 Selleck S2220 SB590885 453.216 CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(CCc2c1)=N\O)-c1ccncc1 MLSAQOINCGAULQ-QFMPWRQOSA-N 135421339 BRD-K08333979-003-01-3 SB-612111 0 88.92 Tocris 3573 SB 612111 hydrochloride 417.163 Cc1cccc2[C@@H](O)C[C@@H](CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12 OHRDCQFCAWLDBP-SBUREZEXSA-N 10047612 BRD-K08333979-003-02-9 SB-612111 0 96.82 Tocris 3573 SB 612111 hydrochloride 417.163 Cc1cccc2[C@@H](O)C[C@@H](CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12 OHRDCQFCAWLDBP-SBUREZEXSA-N 10047612 BRD-K00003485-001-01-9 SB-649868 0 98.14 MedChemEx HY-10806 SB-649868 477.152 Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 ZJXIUGNEAIHSBI-IBGZPJMESA-N 25195495 BRD-K95292280-001-02-1 SB-657510 0 95.89 Tocris 3571 SB 657510 504.012 COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 KQCZCINJGIRLCD-CYBMUJFWSA-N 11272107 BRD-K95292280-001-01-3 SB-657510 0 95.35 Tocris 3571 SB 657510 504.012 COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 KQCZCINJGIRLCD-CYBMUJFWSA-N 11272107 BRD-K95292280-001-03-9 SB-657510 0 98.3 Tocris 3571 SB 657510 504.012 COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 KQCZCINJGIRLCD-CYBMUJFWSA-N 11272107 BRD-K24968862-001-01-0 SB-683698 0 95.84 MedChemEx HY-15770 TR-14035 473.08 COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 DRSJLVGDSNWQBI-SFHVURJKSA-N 9912743 BRD-K24968862-001-02-9 SB-683698 0 93.88 MedChemEx HY-15770 TR-14035 473.08 COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 DRSJLVGDSNWQBI-SFHVURJKSA-N 9912743 BRD-K65991129-001-02-9 SB-705498 0 98.38 Selleck S2773 SB705498 428.046 FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br JYILLRHXRVTRSH-GFCCVEGCSA-N 9910486 BRD-K65991129-001-03-9 SB-705498 0 98.02 MedChemEx HY-10633 SB-705498 428.046 FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br JYILLRHXRVTRSH-GFCCVEGCSA-N 9910486 BRD-K68633027-001-02-9 SB-706375 0 96.57 Tocris 4667 SB 706375 538.038 COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F BPOWQJYAMDEAFF-CYBMUJFWSA-N 21023902 BRD-K68633027-001-01-9 SB-706375 0 98.2 Tocris 4667 SB 706375 538.038 COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F BPOWQJYAMDEAFF-CYBMUJFWSA-N 21023902 BRD-K78941306-001-03-2 SB-742457 0 89.14 Selleck S2894 SB-742457 353.12 O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1 JJZFWROHYSMCMU-UHFFFAOYSA-N 11256720 BRD-K78941306-001-04-9 SB-742457 0 78.01 MedChemEx HY-14339 Intepirdine 353.12 O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1 JJZFWROHYSMCMU-UHFFFAOYSA-N 11256720 BRD-K78941306-001-02-4 SB-742457 0 84.59 Selleck S2894 SB742457 353.12 O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1 JJZFWROHYSMCMU-UHFFFAOYSA-N 11256720 BRD-K68532323-003-02-8 SB-743921 0 95.05 Selleck S2182 SB743921 516.218 CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 PGXYIBJJCLWJST-MUUNZHRXSA-N 9936388 BRD-K68532323-003-05-1 SB-743921 0 95.39 Tocris 5109 SB 743921 Hydrochloride 516.218 CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 PGXYIBJJCLWJST-MUUNZHRXSA-N 9936388 BRD-K49597925-300-02-9 SB-747651A 0 94.5 Tocris 4630 SB 747651A dihydrochloride 342.192 CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N MBCJUIJWPYUEBX-UHFFFAOYSA-N 11393719 BRD-K49597925-300-01-9 SB-747651A 0 97.46 Tocris 4630 SB 747651A dihydrochloride 342.192 CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N MBCJUIJWPYUEBX-UHFFFAOYSA-N 11393719 BRD-K45168550-001-02-9 SB-756050 0 97.36 MedChemEx HY-102016 SB756050 500.129 COc1ccc(cc1OC)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 GJUFPAZNBPFNRI-UHFFFAOYSA-N 1520267 BRD-K45168550-001-01-9 SB-756050 0 99.59 Enamine Z223304562 500.129 COc1ccc(cc1OC)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 GJUFPAZNBPFNRI-UHFFFAOYSA-N 1520267 BRD-K49110935-300-01-9 SB-772077B 0 96.19 Tocris 4118 SB 772077B dihydrochloride 342.155 CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N PHWHNHYZZNJPLB-QMMMGPOBSA-N 16095343 BRD-K49110935-300-02-9 SB-772077B 0 97.75 Tocris 4118 SB 772077B dihydrochloride 342.155 CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N PHWHNHYZZNJPLB-QMMMGPOBSA-N 16095343 BRD-K86797399-001-04-4 SB-939 0 90.64 Selleck S1515 Pracinostat (SB939) 358.237 CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC JHDKZFFAIZKUCU-ZRDIBKRKSA-N 49855250 BRD-K86797399-001-05-1 SB-939 0 96.42 Selleck S1515 SB939 (Pracinostat) 358.237 CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC JHDKZFFAIZKUCU-ZRDIBKRKSA-N 49855250 BRD-K86797399-001-06-9 SB-939 0 94.25 MedChemEx HY-13322 Pracinostat 358.237 CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC JHDKZFFAIZKUCU-ZRDIBKRKSA-N 49855250 BRD-K71667152-003-09-8 SBE-13 0 98.45 Tocris 4292 SBE 13 hydrochloride 442.166 COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC XNPRQBVQOJZMMA-UHFFFAOYSA-N 4719406 BRD-K71667152-003-10-9 SBE-13 0 97.54 Tocris 4292 SBE 13 hydrochloride 442.166 COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC XNPRQBVQOJZMMA-UHFFFAOYSA-N 4719406 BRD-K54729176-001-02-8 SBHA 0 63.62 Tocris 3810 SBHA 204.111 ONC(=O)CCCCCCC(=O)NO IDQPVOFTURLJPT-UHFFFAOYSA-N 5173 BRD-K54729176-001-03-9 SBHA 0 100 Tocris 3810 SBHA 204.111 ONC(=O)CCCCCCC(=O)NO IDQPVOFTURLJPT-UHFFFAOYSA-N 5173 BRD-K00005340-001-01-9 SBI-115 0 48.8 MedChemEx HY-111534 SBI-115 340.028 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Oc1cccc(C)c1 IJPXOPBVXVPPEW-UHFFFAOYSA-N 18879973 BRD-K05361803-001-03-9 SC-10 0 97.54 Tocris 430 SC-10 339.106 CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 MJMJERJFCHYXEM-UHFFFAOYSA-N 5175 BRD-K05361803-001-04-9 SC-10 0 96.16 Toronto h283000 N-(N-heptyl)-5-chloro-1-naphthalenesulfonamide 339.106 CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 MJMJERJFCHYXEM-UHFFFAOYSA-N 5175 BRD-K40797222-001-01-8 SC-12267 0 98.78 MedChemEx HY-14908 Vidofludimus 355.122 COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16| XPRDUGXOWVXZLL-UHFFFAOYSA-N 9820008 BRD-K40797222-001-02-9 SC-12267 0 98.01 MedChemEx HY-14908 Vidofludimus 355.122 COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16| XPRDUGXOWVXZLL-UHFFFAOYSA-N 9820008 BRD-K55305701-003-03-9 SC-144 0 97.48 Tocris 4963 SC 144 hydrochloride 322.098 Fc1ccc2c(c1)nc(NNC(=O)c1cnccn1)c1cccn21 UEADAWQSJOWXBK-UHFFFAOYSA-N 400169 BRD-K55305701-001-01-2 SC-144 0 90.81 Selleck S7124 SC144 322.098 Fc1ccc2c(c1)nc(NNC(=O)c1cnccn1)c1cccn21 UEADAWQSJOWXBK-UHFFFAOYSA-N 400169 BRD-K55305701-003-01-8 SC-144 0 65.29 Tocris 4963 SC 144 hydrochloride 322.098 Fc1ccc2c(c1)nc(NNC(=O)c1cnccn1)c1cccn21 UEADAWQSJOWXBK-UHFFFAOYSA-N 400169 BRD-K55305701-001-02-0 SC-144 0 98.43 Selleck S7124 SC144 322.098 Fc1ccc2c(c1)nc(NNC(=O)c1cnccn1)c1cccn21 UEADAWQSJOWXBK-UHFFFAOYSA-N 400169 BRD-K52512893-001-09-7 SC-19220 0 95.92 Tocris 1206 SC 19220 331.072 CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 KNURFLJTOUGOOQ-UHFFFAOYSA-N 4336830 BRD-K52512893-001-10-9 SC-19220 0 96.83 Tocris 1206 SC 19220 331.072 CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 KNURFLJTOUGOOQ-UHFFFAOYSA-N 4336830 BRD-K52512893-001-08-9 SC-19220 0 94.86 Tocris 1206 SC 19220 331.072 CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 KNURFLJTOUGOOQ-UHFFFAOYSA-N 4336830 BRD-K76365178-001-01-5 SC-236 0 98.26 Tocris 3919 SC 236 401.021 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F NSQNZEUFHPTJME-UHFFFAOYSA-N 9865808 BRD-K76365178-001-02-9 SC-236 0 96.98 Tocris 3919 SC 236 401.021 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F NSQNZEUFHPTJME-UHFFFAOYSA-N 9865808 BRD-K62715847-003-01-4 SC-51089 0 88.12 Tocris 3758 SC 51089 422.115 Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCc3ccncc3)c2c1 XDJPQOUDGROSEU-UHFFFAOYSA-N 132749 BRD-K62715847-003-02-9 SC-51089 0 96.02 Tocris 3758 SC 51089 422.115 Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCc3ccncc3)c2c1 XDJPQOUDGROSEU-UHFFFAOYSA-N 132749 BRD-K14767410-001-03-1 SC-560 0 97.01 Tocris 1550 SC 560 352.059 COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F PQUGCKBLVKJMNT-UHFFFAOYSA-N 4306515 BRD-K14767410-001-04-9 SC-560 0 95.65 Tocris 1550 SC 560 352.059 COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F PQUGCKBLVKJMNT-UHFFFAOYSA-N 4306515 BRD-K14767410-001-02-3 SC-560 0 98.01 Tocris 1550 SC 560 352.059 COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F PQUGCKBLVKJMNT-UHFFFAOYSA-N 4306515 BRD-K25875056-001-03-8 SC-9 0 98.46 Tocris 433 SC-9 401.122 Clc1cccc2c(cccc12)S(=O)(=O)NCCCCCCc1ccccc1 YUXMTDYHFPRPLG-UHFFFAOYSA-N 124172 BRD-K25875056-001-04-9 SC-9 0 98.05 Tocris 433 SC-9 401.122 Clc1cccc2c(cccc12)S(=O)(=O)NCCCCCCc1ccccc1 YUXMTDYHFPRPLG-UHFFFAOYSA-N 124172 BRD-K25875056-001-02-0 SC-9 0 98.14 Tocris 433 SC-9 401.122 Clc1cccc2c(cccc12)S(=O)(=O)NCCCCCCc1ccccc1 YUXMTDYHFPRPLG-UHFFFAOYSA-N 124172 BRD-K00005327-001-01-9 scabertopin 0 94.26 MedChemEx HY-N1247 Scabertopin 358.142 "[H][C@]12C\C(C)=C/[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@H](CC(=C1)C(=O)O2)OC(=O)C(\C)=C/C |c:4,t:18|" FTPHYXGWMIZVMP-WQYRJXRXSA-N 93959111 BRD-K29562203-004-09-1 SCH-202676 0 2.03 Tocris 1400 SCH 202676 hydrobromide 267.083 CN=c1nc(-c2ccccc2)n(s1)-c1ccccc1 FFUBTEITUNMMOK-UHFFFAOYSA-N 682802 BRD-K29562203-004-12-9 SCH-202676 0 80.2 Tocris 1400 SCH 202676 hydrobromide 267.083 CN=c1nc(-c2ccccc2)n(s1)-c1ccccc1 FFUBTEITUNMMOK-UHFFFAOYSA-N 682802 BRD-K29562203-004-08-3 SCH-202676 0 46.4 Tocris 1400 SCH 202676 hydrobromide 267.083 CN=c1nc(-c2ccccc2)n(s1)-c1ccccc1 FFUBTEITUNMMOK-UHFFFAOYSA-N 682802 BRD-K00004286-001-01-9 SCH-221510 0 97.23 Tocris 3240 SCH 221510 397.241 "Cc1ccccc1C(N1[C@H]2CC[C@@H]1C[C@](O)(C2)c1ccccc1)c1ccccc1C |&1:9,12,14,r|" LOSJNRBXNQTUNT-FOURXJPJSA-N BRD-K45435259-003-12-9 SCH-23390 0 96.59 Tocris 925 SCH 23390 hydrochloride 287.108 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 GOTMKOSCLKVOGG-OAHLLOKOSA-N 3036864 BRD-K45435259-003-11-1 SCH-23390 0 96.81 Tocris 925 SCH 23390 hydrochloride 287.108 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 GOTMKOSCLKVOGG-OAHLLOKOSA-N 3036864 BRD-K55748775-001-02-2 SCH-28080 0 95.57 Tocris 1690 SCH 28080 277.122 Cc1nc2c(OCc3ccccc3)cccn2c1CC#N PYKJFEPAUKAXNN-UHFFFAOYSA-N 108137 BRD-K55748775-001-03-9 SCH-28080 0 92.4 Tocris 1690 SCH 28080 277.122 Cc1nc2c(OCc3ccccc3)cccn2c1CC#N PYKJFEPAUKAXNN-UHFFFAOYSA-N 108137 BRD-K02460719-001-01-9 SCH-51344 0 83.63 Tocris 5280 SCH 51344 316.154 COc1ccc2nc3n[nH]c(C)c3c(NCCOCCO)c2c1 YWEGXZZAORIRQR-UHFFFAOYSA-N 9995890 BRD-K02460719-001-02-9 SCH-51344 0 93.73 Tocris 5280 SCH 51344 316.154 COc1ccc2nc3n[nH]c(C)c3c(NCCOCCO)c2c1 YWEGXZZAORIRQR-UHFFFAOYSA-N 9995890 BRD-K81225797-001-03-1 SCH-58261 0 95.71 Tocris 2270 SCH 58261 345.134 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 UTLPKQYUXOEJIL-UHFFFAOYSA-N 176408 BRD-K81225797-001-02-3 SCH-58261 0 99.01 Tocris 2270 SCH 58261 345.134 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 UTLPKQYUXOEJIL-UHFFFAOYSA-N 176408 BRD-K81225797-001-05-9 SCH-58261 0 97.57 Tocris 2270 SCH 58261 345.134 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 UTLPKQYUXOEJIL-UHFFFAOYSA-N 176408 BRD-K75009076-001-02-1 SCH-900776 0 85.42 Selleck S2735 MK-8776 (SCH 900776) 375.081 Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 GMIZZEXBPRLVIV-SECBINFHSA-N 46239015 BRD-K75009076-001-01-3 SCH-900776 0 59.71 Selleck S2735 MK-8776 (SCH 900776) 375.081 Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 GMIZZEXBPRLVIV-SECBINFHSA-N 46239015 BRD-K00003711-001-01-9 schisandrin-B 0 97.18 MedChemEx HY-N0089 Schisandrin B 400.189 COc1cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| RTZKSTLPRTWFEV-QWHCGFSZSA-N 174277 BRD-K18878288-001-06-4 schisandrol-B 0 97.81 MedChemEx HY-N0692 "(6S,7S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol" 416.184 COc1cc2C[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC ZWRRJEICIPUPHZ-MYODQAERSA-N 3001662 BRD-K18878288-001-07-2 schisandrol-B 0 91.79 MedChemEx HY-N0692 Schisandrol B 416.184 COc1cc2C[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC ZWRRJEICIPUPHZ-MYODQAERSA-N 3001662 BRD-A23127772-001-02-3 sclareol 0 98.63 Selleck S2354 Sclareol 308.272 "CC(O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C |a:5,6,18,&1:1,&2:11|" XVULBTBTFGYVRC-SVPXJYONSA-N 56842011 BRD-A23127772-001-03-1 sclareol 0 100 Selleck S2354 Sclareol 308.272 "CC(O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C |a:5,6,18,&1:1,&2:11|" XVULBTBTFGYVRC-SVPXJYONSA-N 56842011 BRD-K72925150-001-10-3 sclareolide 0 70.03 Selleck S2355 Sclareolide (Norambreinolide) 250.193 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2 IMKJGXCIJJXALX-SHUKQUCYSA-N 929262 BRD-K72925150-001-11-1 sclareolide 0 83.52 Selleck S2355 Sclareolide 250.193 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2 IMKJGXCIJJXALX-SHUKQUCYSA-N 929262 BRD-K35504063-001-01-7 BRD-K72925150-001-14-5 sclareolide 0 100 Selleck S2355 SCLAREOLIDE 250.193 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2 IMKJGXCIJJXALX-SHUKQUCYSA-N 929262 BRD-K33809398-001-02-6 SCMC-Lys 1 83.3 ChemImpex 629 (2R)-2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid 179.025 N[C@@H](CSCC(O)=O)C(O)=O GBFLZEXEOZUWRN-VKHMYHEASA-N 193653 BRD-K33809398-001-01-8 SCMC-Lys 1 0 ChemImpex 629 179.025 N[C@@H](CSCC(O)=O)C(O)=O GBFLZEXEOZUWRN-VKHMYHEASA-N 193653 BRD-K75923785-003-03-9 scopine 0 57.59 MedChemEx HY-B0459A Scopine (hydrochloride) 155.095 CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21 FIMXSEMBHGTNKT-RZVDLVGDSA-N BRD-K75923785-003-02-1 scopine 0 100 Selleck S2548 Scopine HCl 155.095 CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21 FIMXSEMBHGTNKT-RZVDLVGDSA-N BRD-K75923785-001-02-5 scopine 0 100 Selleck S2545 Scopine 155.095 CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21 FIMXSEMBHGTNKT-RZVDLVGDSA-N BRD-K89923877-004-15-4 scopolamine 0 92.22 Selleck S2508 Scopolamine HBr 303.147 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 STECJAGHUSJQJN-FWXGHANASA-N BRD-K89923877-004-21-9 scopolamine 0 85.44 Tocris 1414 Scopolamine hydrobromide 303.147 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 STECJAGHUSJQJN-FWXGHANASA-N BRD-K89923877-004-20-9 scopolamine 0 96.26 MedChemEx HY-N0296A Scopolamine (hydrobromide) 303.147 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 STECJAGHUSJQJN-FWXGHANASA-N BRD-K89923877-004-16-2 scopolamine 0 96.73 Tocris 1414 Scopolamine hydrobromide 303.147 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 STECJAGHUSJQJN-FWXGHANASA-N BRD-A49906757-004-09-8 scopolamine-N-oxide 0 93.9 Prestwick Prestw-232 Scopolamin-N-oxide hydrobromide 319.142 "C[N@@+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |a:3,5,7,8,10,14,&1:1,TLB:0:1:4.5.6:8.10,THB:2:1:4.5.6:8.10,9:8:1:4.5.6,9:10:1:4.5.6,11:5:1:8.10|" GSYQNAMOFFWAPF-SXWCTKSRSA-N BRD-A49906757-004-10-6 scopolamine-N-oxide 0 91.22 TCI S0229 Scopalamine N-oxide hydrobormide monohydrate 319.142 "C[N@@+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |a:3,5,7,8,10,14,&1:1,TLB:0:1:4.5.6:8.10,THB:2:1:4.5.6:8.10,9:8:1:4.5.6,9:10:1:4.5.6,11:5:1:8.10|" GSYQNAMOFFWAPF-SXWCTKSRSA-N BRD-K20548681-001-02-9 SCP-1 0 97.74 SciExchange K-037460 "2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(4-hydroxyphenyl)acetamide" 332.047 Oc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 PUPNJSIFIXXJCH-UHFFFAOYSA-N 667575 BRD-K20548681-001-01-3 SCP-1 0 88.92 Vitas-M STK134741 332.047 Oc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 PUPNJSIFIXXJCH-UHFFFAOYSA-N 667575 BRD-K22503835-001-12-8 scriptaid 0 93.32 Tocris 2421 Scriptaid 326.127 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 JTDYUFSDZATMKU-UHFFFAOYSA-N 5186 BRD-K22503835-001-11-0 scriptaid 0 94.21 Selleck S8043 Scriptaid 326.127 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 JTDYUFSDZATMKU-UHFFFAOYSA-N 5186 BRD-K78496197-001-04-7 SCS 0 84.87 Tocris 2143 SCS 256.085 Oc1ccccc1\C=N\NC(=O)c1ccccc1O OMCYEZUIYGPHDJ-OQLLNIDSSA-N 135445765 BRD-K78496197-001-03-9 SCS 0 95.27 Tocris 2143 SCS 256.085 Oc1ccccc1\C=N\NC(=O)c1ccccc1O OMCYEZUIYGPHDJ-OQLLNIDSSA-N 135445765 BRD-K78496197-001-05-9 SCS 0 96.88 Tocris 2143 SCS 256.085 Oc1ccccc1\C=N\NC(=O)c1ccccc1O OMCYEZUIYGPHDJ-OQLLNIDSSA-N 135445765 BRD-K00003093-001-01-9 SD-0006 0 94.38 MedChemEx HY-11087 SD 0006 397.131 OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 CATQHDWESBRRQA-UHFFFAOYSA-N 9865587 BRD-K91904471-001-02-4 SD-169 0 97.83 EMDBio 506158-10MG "p38 MAP Kinase Inhibitor VII, SD-169" 160.064 NC(=O)c1ccc2[nH]ccc2c1 GQMYQEAXTITUAE-UHFFFAOYSA-N 14973220 BRD-K24566386-001-01-9 SD-208 0 97.15 Tocris 3269 SD 208 352.064 Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1 BERLXWPRSBJFHO-UHFFFAOYSA-N 10316032 BRD-K24566386-001-03-5 SD-208 0 94.68 Tocris 3269 SD 208 352.064 Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1 BERLXWPRSBJFHO-UHFFFAOYSA-N 10316032 BRD-K51102532-003-02-9 SD-2590 0 89.45 Tocris 4775 SD 2590 hydrochloride 518.133 COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 NXUHVWMBPOFLMA-UHFFFAOYSA-N 9892815 BRD-K51102532-003-01-8 SD-2590 0 93.08 Tocris 4775 SD 2590 hydrochloride 518.133 COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 NXUHVWMBPOFLMA-UHFFFAOYSA-N 9892815 BRD-K01826797-003-04-9 SDM25N 0 85.62 Tocris 1410 "(4bS,8aS,14bR)-7-(2-methylallyl)-5,6,7,8,14,14b-hexahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol hydro" 450.171 "CC(=C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |a:7,8,15,&1:14,TLB:17:15:4.5.6:11.12.13,THB:16:15:4.5.6:11.12.13|" ZFMVWAWSKLAVOE-IFKAHUTRSA-N 9931601 BRD-K01826797-003-03-9 SDM25N 0 88.24 Tocris 1410 SDM25N hydrochloride 450.171 "CC(=C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |a:7,8,15,&1:14,TLB:17:15:4.5.6:11.12.13,THB:16:15:4.5.6:11.12.13|" ZFMVWAWSKLAVOE-IFKAHUTRSA-N 9931601 BRD-K01826797-003-02-9 SDM25N 0 93.48 Tocris 1410 SDM25N hydrochloride 450.171 "CC(=C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |a:7,8,15,&1:14,TLB:17:15:4.5.6:11.12.13,THB:16:15:4.5.6:11.12.13|" ZFMVWAWSKLAVOE-IFKAHUTRSA-N 9931601 BRD-K15868788-003-08-9 SDZ-205-557 0 97.04 Tocris 2037 SDZ 205-557 hydrochloride 300.124 CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC FFNWMBDISAYHDC-UHFFFAOYSA-N 5191 BRD-K15868788-003-07-7 SDZ-205-557 0 97.71 Tocris 2037 SDZ 205-557 hydrochloride 300.124 CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC FFNWMBDISAYHDC-UHFFFAOYSA-N 5191 BRD-A15530910-001-03-9 SDZ-21009 0 93.11 Tocris 1516 SDZ 21009 348.205 "CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1 |&1:12,r|" SJYFDORQYYEJLB-ZDUSSCGKSA-N 6604875 BRD-A15530910-001-02-1 SDZ-21009 0 91.78 Tocris 1516 SDZ 21009 348.205 "CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1 |&1:12,r|" SJYFDORQYYEJLB-ZDUSSCGKSA-N 6604875 BRD-K82266792-001-03-9 SDZ-220-040 0 97.06 Tocris 1251 SDZ 220-040 419.009 N[C@@H](Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O NYZFUZCCDOSQBG-AWEZNQCLSA-N 6604839 BRD-K82266792-001-02-1 SDZ-220-040 0 0 Tocris 1251 SDZ 220-040 419.009 N[C@@H](Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O NYZFUZCCDOSQBG-AWEZNQCLSA-N 6604839 BRD-K27168049-001-03-6 SDZ-220-581 0 97.01 Tocris 1250 SDZ 220-581 369.053 N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O VBRJFXSFCYEZMQ-HNNXBMFYSA-N 128019 BRD-K27168049-001-04-9 SDZ-220-581 0 98.09 Tocris 1250 SDZ 220-581 369.053 N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O VBRJFXSFCYEZMQ-HNNXBMFYSA-N 128019 BRD-K27168049-001-02-8 SDZ-220-581 0 98.62 Tocris 1250 SDZ 220-581 369.053 N[C@@H](Cc1cc(CP(O)(O)=O)cc(c1)-c1ccccc1Cl)C(O)=O VBRJFXSFCYEZMQ-HNNXBMFYSA-N 128019 BRD-K65820248-001-02-6 SDZ-NKT-343 0 97.48 Tocris 2394 SDZ NKT 343 579.248 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O PCVSIMQAFWRUEC-JDXGNMNLSA-N 9851211 BRD-K65820248-001-01-8 SDZ-NKT-343 0 97.81 Tocris 2394 SDZ NKT 343 579.248 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O PCVSIMQAFWRUEC-JDXGNMNLSA-N 9851211 BRD-K65820248-001-03-9 SDZ-NKT-343 0 96.81 Tocris 2394 SDZ NKT 343 579.248 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O PCVSIMQAFWRUEC-JDXGNMNLSA-N 9851211 BRD-K31339597-051-03-9 SDZ-SER-082 0 82.57 Tocris 1255 SDZ SER 082 fumarate 228.163 CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 YASBOGFWAMXINH-TZMCWYRMSA-N 9859407 BRD-K31339597-051-02-0 SDZ-SER-082 0 13.89 Tocris 1255 SDZ SER 082 fumarate 228.163 CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 YASBOGFWAMXINH-TZMCWYRMSA-N 9859407 BRD-K39558284-001-02-0 SDZ-WAG-994 0 79.99 Tocris 2465 SDZ WAG 994 363.191 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 JAKAFSGZUXCHLF-LSCFUAHRSA-N 164305 BRD-K39558284-001-01-2 SDZ-WAG-994 0 89.51 Tocris 2465 SDZ WAG 994 363.191 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 JAKAFSGZUXCHLF-LSCFUAHRSA-N 164305 BRD-K39558284-001-03-9 SDZ-WAG-994 0 85.66 Tocris 2465 SDZ WAG 994 363.191 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 JAKAFSGZUXCHLF-LSCFUAHRSA-N 164305 BRD-K74227499-001-02-9 Se-methylselenocysteine 1 100 Sigma MFCD00800565 (2R)-2-amino-3-(methylselanyl)propanoic acid 182.98 C[Se]C[C@H](N)C(O)=O XDSSPSLGNGIIHP-VKHMYHEASA-N 45266674 BRD-K74227499-001-01-1 Se-methylselenocysteine 1 0 Acros 30064 182.98 C[Se]C[C@H](N)C(O)=O XDSSPSLGNGIIHP-VKHMYHEASA-N 45266674 BRD-K02965577-001-04-9 secalciferol 0 94.21 MedChemEx HY-32343 Secalciferol 416.329 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C FCKJYANJHNLEEP-XRWYNYHCSA-N 5283748 BRD-K02965577-001-03-4 secalciferol 0 81.1 Enzo DM300 "24,25-Dihydroxyvitamin D3" 416.329 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C FCKJYANJHNLEEP-XRWYNYHCSA-N 5283748 BRD-A53472930-001-01-7 seclazone 0 99.72 Enamine Z2306534576 "7-chloro-3,3a-dihydro-2H,9H-isoxazolo[3,2-b][1,3]benzoxazin-9-one" 225.019 "Clc1ccc2O[C@H]3CCON3C(=O)c2c1 |&1:6,r|" XWXVKXXKKLBDDJ-VIFPVBQESA-N 76966156 BRD-K00003454-001-01-9 seclidemstat 0 93.58 MedChemEx HY-103713 Seclidemstat 450.113 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O MVSQDUZRRVBYLA-HYARGMPZSA-N 135565033 BRD-A70083328-001-23-5 secnidazole 0 98.16 MicroSource 1505304 SECNIDAZOLE 185.08 "C[C@@H](O)Cn1c(C)ncc1[N+]([O-])=O |&1:1,r|" KPQZUUQMTUIKBP-RXMQYKEDSA-N 667451 BRD-A70083328-001-22-7 secnidazole 0 88.54 Selleck S2537 Secnidazole 185.08 "C[C@@H](O)Cn1c(C)ncc1[N+]([O-])=O |&1:1,r|" KPQZUUQMTUIKBP-RXMQYKEDSA-N 667451 BRD-A70083328-001-24-3 secnidazole 0 99.58 Selleck S2537 Secnidazole (Flagentyl) 185.08 "C[C@@H](O)Cn1c(C)ncc1[N+]([O-])=O |&1:1,r|" KPQZUUQMTUIKBP-RXMQYKEDSA-N 667451 BRD-K91733562-001-05-0 secoisolariciresinol-(-) 0 97.1 Sigma MFCD01075136 "(2R,3R)-2,3-bis(4-hydroxy-3-methoxybenzyl)-1,4-butanediol" 362.173 COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O PUETUDUXMCLALY-HOTGVXAUSA-N 65373 BRD-K91733562-001-06-9 secoisolariciresinol-(-) 0 87.92 Sigma MFCD01075136 Secoisolariciresinol 362.173 COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O PUETUDUXMCLALY-HOTGVXAUSA-N 65373 BRD-K77320845-001-01-2 secoisolariciresinol-diglucoside 0 94.67 AvaChem 2539 "(2R,3R)-4-(beta-D-glucopyranosyloxy)-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl beta-D-glucopyranoside" 686.279 COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O SBVBJPHMDABKJV-PGCJWIIOSA-N 9917980 BRD-K49071277-001-05-9 securinine 0 87.16 MedChemEx HY-N2079 (-)-Securinine 217.11 "O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31 |c:6,9|" SWZMSZQQJRKFBP-WZRBSPASSA-N 442872 BRD-K49071277-001-04-7 securinine 0 94.32 MicroSource 1505334 SECURININE 217.11 "O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31 |c:6,9|" SWZMSZQQJRKFBP-WZRBSPASSA-N 442872 BRD-K00003150-001-01-9 segesterone-acetate 0 90.51 MedChemEx HY-13071 Nestoron 370.214 [H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:26| CKFBRGLGTWAVLG-GOMYTPFNSA-N 108059 BRD-K00003284-236-01-9 seladelpar 0 94.96 MedChemEx HY-19522A Seladelpar sodium salt 444.122 CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1 JWHYSEDOYMYMNM-QGZVFWFLSA-N 11236126 BRD-K00003549-001-01-9 selamectin 0 93.43 MedChemEx HY-107212 Selamectin 769.44 "[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@H](O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O |c:4,t:6,25,56|" AFJYYKSVHJGXSN-XHKIUTQPSA-N 9578507 BRD-K86434416-003-16-9 selegiline 0 87.55 MedChemEx HY-14199 R-(-)-Deprenyl (hydrochloride) 187.136 C[C@H](Cc1ccccc1)N(C)CC#C MEZLKOACVSPNER-GFCCVEGCSA-N 26757 BRD-K74664543-001-01-1 selenomethionine 1 100 Ark AK-81303 (2S)-2-amino-4-(methylselanyl)butanoic acid 196.996 C[Se]CC[C@H](N)C(O)=O RJFAYQIBOAGBLC-BYPYZUCNSA-N 53262363 BRD-K74664543-213-01-2 selenomethionine 1 0 MicroSource 1506163 SELENOMETHIONINE 196.996 C[Se]CC[C@H](N)C(O)=O RJFAYQIBOAGBLC-BYPYZUCNSA-N 53262363 BRD-K00003228-001-01-9 seletalisib 0 98.01 MedChemEx HY-16754 Seletalisib 482.087 [O-][n+]1cccc(c1)-c1nc2c(Cl)cccc2cc1[C@@H](Nc1ncnc2cccnc12)C(F)(F)F LNLJHGXOFYUARS-OAQYLSRUSA-N 56928390 BRD-K21191422-001-02-3 selexipag 0 95.22 Tocris 3351 NS 304 496.214 CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 QXWZQTURMXZVHJ-UHFFFAOYSA-N 9913767 BRD-K21191422-001-01-5 selexipag 0 95.84 MedChemEx HY-14870 NS-304 496.214 CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1 QXWZQTURMXZVHJ-UHFFFAOYSA-N 9913767 BRD-K48738253-001-02-4 selfotel 0 56.69 Enzo AC1301 CGS 19755 223.061 OC(=O)[C@H]1C[C@@H](CP(O)(O)=O)CCN1 LPMRCCNDNGONCD-NTSWFWBYSA-N 6604838 BRD-K48738253-001-03-9 selfotel 0 0 Tocris 1241 CGS 19755 223.061 OC(=O)[C@H]1C[C@@H](CP(O)(O)=O)CCN1 LPMRCCNDNGONCD-NTSWFWBYSA-N 6604838 BRD-K21361524-001-04-9 selinexor 0 94.85 MedChemEx HY-17536 Selinexor 443.093 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)NNc2cnccn2)n1 DEVSOMFAQLZNKR-RJRFIUFISA-N 71481097 BRD-K21361524-001-01-1 selinexor 0 91.64 Selleck S7252 KPT-330 443.093 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)NNc2cnccn2)n1 DEVSOMFAQLZNKR-RJRFIUFISA-N 71481097 BRD-K00003441-001-01-9 selitrectinib 0 96.6 MedChemEx HY-101977 Selitrectinib 380.176 [H][C@]12CCCN1c1ccn3ncc(C(=O)N[C@H](C)CCc4ncc(F)cc24)c3n1 OEBIHOVSAMBXIB-SJKOYZFVSA-N 129103609 BRD-K00003274-001-01-9 selonsertib 0 91.3 MedChemEx HY-18938 Selonsertib 445.203 CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 YIDDLAAKOYYGJG-UHFFFAOYSA-N 71245288 BRD-K57080016-001-19-1 selumetinib 0 97.54 Selleck S1008 selumetinib 456 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO CYOHGALHFOKKQC-UHFFFAOYSA-N 10127622 BRD-K57080016-001-15-9 selumetinib 0 95.17 Selleck S1008 Selumetinib (AZD6244) 456 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO CYOHGALHFOKKQC-UHFFFAOYSA-N 10127622 BRD-K65592642-001-05-9 semagacestat 0 93.94 MedChemEx HY-10009 Semagacestat 361.2 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O PKXWXXPNHIWQHW-RCBQFDQVSA-N 9843750 BRD-K21237892-376-01-3 semapimod 0 86.13 Enamine EN300-260559 "N1,N10-bis(3,5-bis(1-(2-carbamimidoylhydrazinyl)vinyl)phenyl)decanediamide tetrahydrochloride" 744.452 CC(=NNC(N)=N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(cc(c2)C(C)=NNC(N)=N)C(C)=NNC(N)=N)cc(c1)C(C)=NNC(N)=N PWDYHMBTPGXCSN-UHFFFAOYSA-N 492132 BRD-K63504947-001-15-4 semaxanib 0 96.75 Tocris 3037 SU 5416 238.111 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 WUWDLXZGHZSWQZ-WQLSENKSSA-N 5329098 BRD-K63504947-001-14-7 semaxanib 0 96.1 Selleck S2845 Semaxanib (SU5416) 238.111 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 WUWDLXZGHZSWQZ-WQLSENKSSA-N 5329098 BRD-K63504947-001-16-2 semaxanib 0 95.62 Selleck S2845 Semaxanib (SU5416) 238.111 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 WUWDLXZGHZSWQZ-WQLSENKSSA-N 5329098 BRD-K63504947-001-18-9 semaxanib 0 92.11 Tocris 3037 SU 5416 238.111 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 WUWDLXZGHZSWQZ-WQLSENKSSA-N 5329098 BRD-K63504947-001-17-0 semaxanib 0 94.89 Tocris 3037 SU 5416 238.111 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 WUWDLXZGHZSWQZ-WQLSENKSSA-N 5329098 BRD-K13281575-001-13-4 semustine 0 0 MicroSource 1503422 SEMUSTINE 247.109 CC1CCC(CC1)NC(=O)N(CCCl)[NH2+][O-] JUUWEJHZVBABHQ-UHFFFAOYSA-N 124202178 BRD-K13281575-001-14-2 semustine 0 0 Sigma MFCD00133811 1-(2-chloroethyl)-1-{[(4-methylcyclohexyl)amino]carbonyl}-2-oxohydrazine 247.109 CC1CCC(CC1)NC(=O)N(CCCl)[NH2+][O-] JUUWEJHZVBABHQ-UHFFFAOYSA-N 124202178 BRD-K70614402-001-02-9 SEN-1269 0 95.19 Tocris 4699 SEN 1269 322.143 CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 MFPAAKZZUIRMKR-UHFFFAOYSA-N 46835756 BRD-K70614402-001-01-0 SEN-1269 0 97.39 Tocris 4699 SEN 1269 322.143 CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 MFPAAKZZUIRMKR-UHFFFAOYSA-N 46835756 BRD-K21295289-001-02-9 senicapoc 0 99.07 MedChemEx HY-50694 Senicapoc 323.112 NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 SCTZUZTYRMOMKT-UHFFFAOYSA-N 216327 BRD-K21295289-001-01-6 senicapoc 0 99.76 MedChemEx HY-50694 Senicapoc 323.112 NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 SCTZUZTYRMOMKT-UHFFFAOYSA-N 216327 BRD-A30370660-001-04-1 sennoside-A 0 98.1 MicroSource 1504078 SENNOSIDE A 862.196 "OC[C@H]1O[C@H](Oc2cccc3c(-c4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5c(O)c5c(O)cc(cc45)C(O)=O)c4cc(cc(O)c4c(O)c23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |a:2,4,12,19,21,24,26,28,56,58,60,&1:11|" QFJIQUOMKJNYLI-QSXPFVSBSA-N 132466065 BRD-A53504839-001-01-9 sennoside-protonated 0 40 Vitas-M STL453210 "4,4',10,10'-tetrahydroxy-5,5'-bis(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-9,9'-bianthracene-2,2'-dicarboxylic acid" 862.196 "OC[C@H]1O[C@@H](Oc2cccc3c(-c4c5cccc(O[C@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c5c(O)c5c(O)cc(cc45)C(O)=O)c4cc(cc(O)c4c(O)c23)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |&1:2,&2:4,&3:19,&4:21,&5:24,&6:26,&7:28,&8:56,&9:58,&10:60,r|" QFJIQUOMKJNYLI-NGMZATEOSA-N BRD-K28456624-001-03-9 seocalcitol 0 90.32 MedChemEx HY-32341 Seocalcitol 454.345 CCC(O)(CC)\C=C\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LVLLALCJVJNGQQ-SEODYNFXSA-N 5288149 BRD-K28456624-001-02-9 seocalcitol 0 43.09 MedChemEx HY-32341 Seocalcitol 454.345 CCC(O)(CC)\C=C\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LVLLALCJVJNGQQ-SEODYNFXSA-N 5288149 BRD-K28456624-001-01-1 seocalcitol 0 92.75 MedChemEx HY-32341 Seocalcitol 454.345 CCC(O)(CC)\C=C\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C LVLLALCJVJNGQQ-SEODYNFXSA-N 5288149 BRD-K49504902-001-02-9 SEP-227900 0 83.8 Vitas-M STK894043 "4H-furo[3,2-b]pyrrole-5-carboxylic acid" 151.027 OC(=O)c1cc2occc2[nH]1 MMAIBGHDBYQYDI-UHFFFAOYSA-N 7141881 BRD-K49504902-001-01-6 SEP-227900 0 94.51 Enamine Z1198172211 151.027 OC(=O)c1cc2occc2[nH]1 MMAIBGHDBYQYDI-UHFFFAOYSA-N 7141881 BRD-A60765580-001-03-4 seratrodast 0 87.19 MedChemEx HY-B0774 Seratrodast 354.183 "CC1=C(C)C(=O)C([C@@H](CCCCCC(O)=O)c2ccccc2)=C(C)C1=O |r,c:1,t:22|" ZBVKEHDGYSLCCC-SFHVURJKSA-N 73346713 BRD-A60765580-001-01-8 seratrodast 0 67.19 MicroSource 1502336 SERATRODAST 354.183 "CC1=C(C)C(=O)C([C@@H](CCCCCC(O)=O)c2ccccc2)=C(C)C1=O |r,c:1,t:22|" ZBVKEHDGYSLCCC-SFHVURJKSA-N 73346713 BRD-A60765580-001-02-6 seratrodast 0 56.56 MedChemEx HY-B0774 Seratrodast 354.183 "CC1=C(C)C(=O)C([C@@H](CCCCCC(O)=O)c2ccccc2)=C(C)C1=O |r,c:1,t:22|" ZBVKEHDGYSLCCC-SFHVURJKSA-N 73346713 BRD-K65924316-001-07-2 serdemetan 0 94.54 Selleck S1172 JNJ 26854165 (Serdemetan) 328.169 C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1 CEGSUKYESLWKJP-UHFFFAOYSA-N 11609586 BRD-K65924316-001-03-1 serdemetan 0 81 Selleck S1172 JNJ-26854165 (Serdemetan) 328.169 C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1 CEGSUKYESLWKJP-UHFFFAOYSA-N 11609586 BRD-K38580127-003-15-4 serotonin 0 80.69 Selleck S4244 Serotonin HCl 176.095 NCCc1c[nH]c2ccc(O)cc12 QZAYGJVTTNCVMB-UHFFFAOYSA-N 5202 BRD-K38580127-003-16-2 serotonin 0 49.06 Tocris 3547 Serotonin hydrochloride 176.095 NCCc1c[nH]c2ccc(O)cc12 QZAYGJVTTNCVMB-UHFFFAOYSA-N 5202 BRD-K38580127-003-17-0 serotonin 0 76.46 Selleck S4244 Serotonin HCl 176.095 NCCc1c[nH]c2ccc(O)cc12 QZAYGJVTTNCVMB-UHFFFAOYSA-N 5202 BRD-K01825659-008-03-9 sertaconazole 0 95.54 MedChemEx HY-B0736A Sertaconazole (nitrate) 435.997 "Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 |&1:5,r|" JLGKQTAYUIMGRK-LJQANCHMSA-N 25273617 BRD-K01825659-001-01-9 sertaconazole 0 98.39 Selleck S3161 Sertaconazole nitrate 435.997 "Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 |&1:5,r|" JLGKQTAYUIMGRK-LJQANCHMSA-N 25273617 BRD-U65696040-000-01-2 BRD-K69116396-001-04-1 sertindole 0 93.27 Prestwick Prestw-1341 Sertindole 440.178 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 GZKLJWGUPQBVJQ-UHFFFAOYSA-N 60149 BRD-K69116396-001-05-9 sertindole 0 93.24 MedChemEx HY-14543 Sertindole 440.178 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 GZKLJWGUPQBVJQ-UHFFFAOYSA-N 60149 BRD-K82036761-003-17-9 sertraline 0 82.3 MicroSource 1505262 SERTRALINE HYDROCHLORIDE 305.074 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 VGKDLMBJGBXTGI-SJCJKPOMSA-N 68617 BRD-K82036761-003-19-5 sertraline 0 93.69 Tocris 2395 Sertraline hydrochloride 305.074 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 VGKDLMBJGBXTGI-SJCJKPOMSA-N 68617 BRD-K82036761-003-16-1 sertraline 0 94.18 Tocris 2395 Sertraline hydrochloride 305.074 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 VGKDLMBJGBXTGI-SJCJKPOMSA-N 68617 BRD-K82036761-003-21-9 sertraline 0 98.35 Tocris 2395 Sertraline hydrochloride 305.074 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 VGKDLMBJGBXTGI-SJCJKPOMSA-N 68617 BRD-K82036761-003-20-3 sertraline 0 97.77 Selleck S4053 Sertraline HCl 305.074 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 VGKDLMBJGBXTGI-SJCJKPOMSA-N 68617 BRD-K70464547-003-01-2 BRD-K11631773-001-11-6 sesamin 0 0.42 Selleck S2392 Sesamin 354.11 C1Oc2ccc(cc2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 PEYUIKBAABKQKQ-AFHBHXEDSA-N 72307 BRD-K04837843-001-01-5 BRD-K11631773-001-10-8 sesamin 0 99.85 Selleck S2392 Sesamin (Fagarol) 354.11 C1Oc2ccc(cc2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 PEYUIKBAABKQKQ-AFHBHXEDSA-N 72307 BRD-K11631773-001-12-4 sesamin 0 96.71 Selleck S2392 Sesamin 354.11 C1Oc2ccc(cc2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 PEYUIKBAABKQKQ-AFHBHXEDSA-N 72307 BRD-K24497734-001-01-6 setipiprant 0 96.5 MedChemEx HY-16635 Setipiprant 402.138 OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 IHAXLPDVOWLUOS-UHFFFAOYSA-N 49843471 BRD-K36732695-001-02-9 setiptiline 0 92.76 MedChemEx HY-32329 Setiptiline 261.152 CN1CCC2=C(C1)c1ccccc1Cc1ccccc21 |c:4| GVPIXRLYKVFFMK-UHFFFAOYSA-N 5205 BRD-K36732695-001-01-9 setiptiline 0 96.01 MedChemEx HY-32329 Setiptiline 261.152 CN1CCC2=C(C1)c1ccccc1Cc1ccccc21 |c:4| GVPIXRLYKVFFMK-UHFFFAOYSA-N 5205 BRD-K00003298-001-01-9 setmelanotide 0 83.94 MedChemEx HY-19870 Setmelanotide 1116.486 [H][C@]1(Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O HDHDTKMUACZDAA-PJHQLSNHSA-N BRD-K05638300-001-02-0 sevoflurane 1 0 Enamine EN300-123016 "1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane" 200.007 FCOC(C(F)(F)F)C(F)(F)F DFEYYRMXOJXZRJ-UHFFFAOYSA-N 5206 BRD-K05638300-001-01-2 sevoflurane 1 0 Enamine EN300-123016 200.007 FCOC(C(F)(F)F)C(F)(F)F DFEYYRMXOJXZRJ-UHFFFAOYSA-N 5206 BRD-K15601958-001-03-9 SEW-2871 0 98.71 Tocris 2284 SEW 2871 440.042 FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F OYMNPJXKQVTQTR-UHFFFAOYSA-N 4077460 BRD-K15601958-001-05-9 SEW-2871 0 0 Tocris 2284 SEW 2871 440.042 FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F OYMNPJXKQVTQTR-UHFFFAOYSA-N 4077460 BRD-K42629487-001-08-6 SF-11 0 88.14 Tocris 3898 SF 11 446.203 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 PMEQBGAGFZDWQX-UHFFFAOYSA-N 2936384 BRD-K42629487-001-09-9 SF-11 0 93.3 Tocris 3898 SF 11 446.203 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 PMEQBGAGFZDWQX-UHFFFAOYSA-N 2936384 BRD-K69577666-001-03-9 SGC-0946 0 95.72 Tocris 4541 SGC 0946 617.233 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 IQCKJUKAQJINMK-HUBRGWSESA-N 56962337 BRD-K69577666-001-01-3 SGC-0946 0 94.14 Selleck S7079 SGC 0946 617.233 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 IQCKJUKAQJINMK-HUBRGWSESA-N 56962337 BRD-K86718786-001-01-7 SGC-707 0 85.34 Tocris 5367 SGC 707 298.143 O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1 DMIDPTCQPIJYFE-UHFFFAOYSA-N 90642938 BRD-K86718786-001-03-9 SGC-707 0 97.06 Tocris 5367 SGC 707 298.143 O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1 DMIDPTCQPIJYFE-UHFFFAOYSA-N 90642938 BRD-K24821794-001-04-8 SGC-CBP30 0 96.05 Tocris 4889 SGC-CBP30 508.224 COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl GEPYBHCJBORHCE-SFHVURJKSA-N 72201027 BRD-K24821794-001-01-4 SGC-CBP30 0 97.84 Selleck S7256 SGC-CBP30 508.224 COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl GEPYBHCJBORHCE-SFHVURJKSA-N 72201027 BRD-K61228301-001-03-9 SGI-1027 0 91.55 Tocris 5155 SGI 1027 461.196 Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 QSYLKMKIVWJAAK-UHFFFAOYSA-N 24858111 BRD-K61228301-001-01-2 SGI-1027 0 90.51 Selleck S7276 SGI-1027 461.196 Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 QSYLKMKIVWJAAK-UHFFFAOYSA-N 24858111 BRD-K80700417-001-07-9 SGI-1776 0 95.6 MedChemEx HY-13287 SGI-1776 405.178 CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 MHXGEROHKGDZGO-UHFFFAOYSA-N 24795070 BRD-K80700417-001-04-2 SGI-1776 0 96.84 Selleck S2198 SGI-1776 free base 405.178 CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 MHXGEROHKGDZGO-UHFFFAOYSA-N 24795070 BRD-K00004650-001-01-9 SGS-742 0 0 Sigma SML0475 3-aminopropyl(butyl)phosphinic acid 179.108 CCCCP(O)(=O)CCCN ONNMDRQRSGKZCN-UHFFFAOYSA-N 130021 BRD-K19477839-001-07-6 SGX523 0 98.41 Selleck S1112 SGX-523 359.095 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 BCZUAADEACICHN-UHFFFAOYSA-N 24779724 BRD-A63344375-001-02-9 SHA-68 0 97.57 Tocris 4510 SHA 68 445.18 "Fc1ccc(CNC(=O)N2CCN3[C@@H](C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1 |&1:13,r|" SFRQIPRTNYHJHP-QHCPKHFHSA-N 52951680 BRD-A63344375-001-01-8 SHA-68 0 96.69 Tocris 4510 SHA 68 445.18 "Fc1ccc(CNC(=O)N2CCN3[C@@H](C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1 |&1:13,r|" SFRQIPRTNYHJHP-QHCPKHFHSA-N 52951680 BRD-A92096630-001-02-8 shikimic-acid 0 94.86 Selleck S2356 Shikimic Acid 174.053 "O[C@@H]1CC(=C[C@@H](O)[C@@H]1O)C(O)=O |a:1,&1:5,&2:7,c:3|" JXOHGGNKMLTUBP-PBXRRBTRSA-N 11332752 BRD-A92096630-001-03-6 shikimic-acid 0 0 Selleck S2356 Shikimic acid (Shikimate) 174.053 "O[C@@H]1CC(=C[C@@H](O)[C@@H]1O)C(O)=O |a:1,&1:5,&2:7,c:3|" JXOHGGNKMLTUBP-PBXRRBTRSA-N 11332752 BRD-K00818915-001-02-9 SHP099 0 90.04 MedChemEx HY-100388 SHP099 351.102 CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl YGUFCDOEKKVKJK-UHFFFAOYSA-N 118238298 BRD-K00818915-003-01-8 SHP099 0 50.02 MedChemEx HY-100388A SHP099 (hydrochloride) 351.102 CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl YGUFCDOEKKVKJK-UHFFFAOYSA-N 118238298 BRD-K01826006-003-01-9 SIB-1553A 0 94.8 Tocris 4764 4-((2-(1-methylpyrrolidin-2-yl)ethyl)thio)phenol hydrochloride 273.095 CN1CCC[C@@H]1CCSc1ccc(O)cc1 |&1:5| NVZGJSVPOOILDI-LLVKDONJSA-N 10609936 BRD-K98157055-001-11-9 SIB-1757 0 85.19 Tocris 1215 SIB 1757 213.09 C=C1NC(=NNc2ccccc2)C(=O)C=C1 |c:15| UOJMXHLMOUOGPY-UHFFFAOYSA-N 132466061 BRD-K98157055-001-10-9 SIB-1757 0 89.53 Tocris 1215 SIB 1757 213.09 C=C1NC(=NNc2ccccc2)C(=O)C=C1 |c:15| UOJMXHLMOUOGPY-UHFFFAOYSA-N 132466061 BRD-K14561059-001-06-9 SIB-1893 0 87.81 Tocris 1214 SIB 1893 195.105 Cc1cccc(\C=C\c2ccccc2)n1 SISOFUCTXZKSOQ-ZHACJKMWSA-N 5311432 BRD-K14561059-001-05-9 SIB-1893 0 0 Tocris 1214 SIB 1893 195.105 Cc1cccc(\C=C\c2ccccc2)n1 SISOFUCTXZKSOQ-ZHACJKMWSA-N 5311432 BRD-A43885598-001-09-9 SID-7969543 0 95.54 Tocris 3440 SID 7969543 452.158 "CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O |&1:5,r|" KWMBIIQCLUIHDI-OAHLLOKOSA-N 2149494 BRD-A43885598-001-08-1 SID-7969543 0 96.71 Tocris 3440 SID 7969543 452.158 "CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O |&1:5,r|" KWMBIIQCLUIHDI-OAHLLOKOSA-N 2149494 BRD-A43885598-001-10-9 SID-7969543 0 96.06 Tocris 3440 SID 7969543 452.158 "CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O |&1:5,r|" KWMBIIQCLUIHDI-OAHLLOKOSA-N 2149494 BRD-A62071884-001-06-1 siguazodan 0 91.28 Tocris 1148 Siguazodan 284.139 "CN\C(NC#N)=N/c1ccc(cc1)C1=NNC(=O)C[C@@H]1C |r,t:14|" NUHPODZZKHQQET-VIFPVBQESA-N 6604007 BRD-A62071884-001-04-6 siguazodan 0 97.8 Tocris 1148 Siguazodan 284.139 "CN\C(NC#N)=N/c1ccc(cc1)C1=NNC(=O)C[C@@H]1C |r,t:14|" NUHPODZZKHQQET-VIFPVBQESA-N 6604007 BRD-K79759585-048-07-1 sildenafil 0 96.56 Tocris 3784 Sildenafil citrate 474.205 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 BNRNXUUZRGQAQC-UHFFFAOYSA-N 135398744 BRD-K79759585-048-04-8 sildenafil 0 99.19 MicroSource 1504099 SILDENAFIL CITRATE 474.205 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 BNRNXUUZRGQAQC-UHFFFAOYSA-N 135398744 BRD-K79759585-048-03-0 sildenafil 0 97.92 Selleck S1431 Sildenafil Citrate 474.205 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 BNRNXUUZRGQAQC-UHFFFAOYSA-N 135398744 BRD-K79759585-048-12-9 sildenafil 0 96.33 Tocris 3784 Sildenafil citrate 474.205 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 BNRNXUUZRGQAQC-UHFFFAOYSA-N 135398744 BRD-K80353138-001-12-1 silibinin 0 97.75 MicroSource 1505256 SILIBININ 482.121 COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O SEBFKMXJBCUCAI-HKTJVKLFSA-N 31553 BRD-K80353138-001-17-9 silibinin 0 98.02 MedChemEx HY-13748 Silibinin 482.121 COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O SEBFKMXJBCUCAI-HKTJVKLFSA-N 31553 BRD-K80353138-001-13-9 silibinin 0 93.92 Selleck S2357 Silibinin (Silybin) 482.121 COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O SEBFKMXJBCUCAI-HKTJVKLFSA-N 31553 BRD-K80353138-001-16-2 silibinin 0 47.34 Selleck S2357 Silibinin 482.121 COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O SEBFKMXJBCUCAI-HKTJVKLFSA-N 31553 BRD-K47267049-001-01-6 BRD-K10906636-001-03-9 silodosin 0 96.44 MedChemEx HY-10122 Silodosin 495.234 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F PNCPYILNMDWPEY-QGZVFWFLSA-N 5312125 BRD-K10906636-001-01-1 silodosin 0 66.32 Selleck S1613 Silodosin 495.234 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F PNCPYILNMDWPEY-QGZVFWFLSA-N 5312125 BRD-K10906636-001-02-9 silodosin 0 93.88 Selleck S1613 Silodosin 495.234 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F PNCPYILNMDWPEY-QGZVFWFLSA-N 5312125 BRD-K68379918-001-01-1 silver-sulfadiazine 1 99.7 Sigma MFCD00072101 (4-amino-N-(pyrimidin-2-yl)phenylsulfonamido)silver 355.95 Nc1ccc(cc1)S(=O)(=O)N([Ag])c1ncccn1 UEJSSZHHYBHCEL-UHFFFAOYSA-N 5459124 BRD-K68379918-001-02-9 silver-sulfadiazine 0 0 Enzo AC3249 SILVER SULFADIAZINE 355.95 Nc1ccc(cc1)S(=O)(=O)N([Ag])c1ncccn1 UEJSSZHHYBHCEL-UHFFFAOYSA-N 5459124 BRD-M11664367-001-01-8 BRD-A06629414-001-02-3 silymarin 0 47.05 Selleck S2358 Silymarin 482.121 "COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |&1:9,&2:18,&3:21,&4:33,r|" FDQAOULAVFHKBX-HKTJVKLFSA-N 11059920 BRD-A06629414-001-03-1 silymarin 0 50.9 Selleck S2358 Silymarin (Silybin B) 482.121 "COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |&1:9,&2:18,&3:21,&4:33,r|" FDQAOULAVFHKBX-HKTJVKLFSA-N 11059920 BRD-A06629414-001-04-9 silymarin 0 37.75 Selleck S2358 Silymarin (Silybin B) 482.121 "COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |&1:9,&2:18,&3:21,&4:33,r|" FDQAOULAVFHKBX-HKTJVKLFSA-N 11059920 BRD-K00003545-001-01-9 simeprevir 0 91.71 MedChemEx HY-10241 Simeprevir 749.292 COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |c:22| JTZZSQYMACOLNN-VDWJNHBNSA-N 24873435 BRD-K00004727-001-01-9 simurosertib 0 91.08 MedChemEx HY-100888 Simurosertib 341.131 "Cc1n[nH]cc1-c1cc2[nH]c(nc(=O)c2s1)[C@H]1CC2CCN1CC2 |&1:16,r|" XGVXKJKTISMIOW-CYBMUJFWSA-N 136443810 BRD-K22134346-001-28-0 simvastatin 0 91.31 Tocris 1965 Simvastatin 418.272 "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:14,t:12|" RYMZZMVNJRMUDD-HGQWONQESA-N 54454 BRD-K22134346-001-22-3 simvastatin 0 88.23 MicroSource 1504236 SIMVASTATIN 418.272 "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:14,t:12|" RYMZZMVNJRMUDD-HGQWONQESA-N 54454 BRD-K22134346-001-24-9 simvastatin 0 88.4 Selleck S1792 Simvastatin (Zocor) 418.272 "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:14,t:12|" RYMZZMVNJRMUDD-HGQWONQESA-N 54454 BRD-K22134346-001-21-5 simvastatin 0 78.82 Tocris 1965 Simvastatin 418.272 "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:14,t:12|" RYMZZMVNJRMUDD-HGQWONQESA-N 54454 BRD-K22134346-001-30-6 simvastatin 0 10.2 Selleck S1792 Simvastatin 418.272 "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:14,t:12|" RYMZZMVNJRMUDD-HGQWONQESA-N 54454 BRD-K94986873-001-01-4 BRD-K00003334-001-01-9 sincalide 0 80.31 MedChemEx HY-P0093 Sincalide 1142.351 CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O IZTQOLKUZKXIRV-YRVFCXMDSA-N 9833444 BRD-K91100918-001-03-8 sinefungin 0 94.6 Sigma S8559 Sinefungin 381.176 N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 LMXOHSDXUQEUSF-YECHIGJVSA-N 65482 BRD-K83459933-001-05-4 sinomenine 0 92.76 Selleck S2359 Sinomenine 329.163 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |t:2| INYYVPJSBIVGPH-QHRIQVFBSA-N 5459308 BRD-K83459933-003-06-9 sinomenine 0 92.72 Tocris 3848 Sinomenine hydrochloride 329.163 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |t:2| INYYVPJSBIVGPH-QHRIQVFBSA-N 5459308 BRD-K53195974-001-02-7 sipatrigine 0 98.09 Tocris 4044 Sipatrigine 371.047 CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl PDOCBJADCWMDGL-UHFFFAOYSA-N 60803 BRD-K53195974-001-01-9 sipatrigine 0 97.76 Tocris 4044 "2-(4-methyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)-4-pyrimidinylamine" 371.047 CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl PDOCBJADCWMDGL-UHFFFAOYSA-N 60803 BRD-K62384160-001-02-0 siponimod 0 95.58 MedChemEx HY-12355 Siponimod 516.26 CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F KIHYPELVXPAIDH-HNSNBQBZSA-N 44599207 BRD-K62384160-001-01-2 siponimod 0 93.82 Selleck S7179 BAF312 (Siponimod) 516.26 CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F KIHYPELVXPAIDH-HNSNBQBZSA-N 44599207 BRD-K51333959-003-01-3 siramesine 0 87.3 MedChemEx HY-14221A Siramesine (hydrochloride) 454.242 Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 XWAONOGAGZNUSF-UHFFFAOYSA-N 9829526 BRD-K51333959-003-02-9 siramesine 0 98.3 MedChemEx HY-14221A Siramesine (hydrochloride) 454.242 Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 XWAONOGAGZNUSF-UHFFFAOYSA-N 9829526 BRD-K65480835-001-02-9 siremadlin 0 97.81 MedChemEx HY-18658 Siremadlin 554.124 COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1 AGBSXNCBIWWLHD-FQEVSTJZSA-N 71678098 BRD-K84937637-001-13-1 sirolimus 0 95.67 MedChemEx HY-10219 Rapamycin 913.555 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|" QFJCIRLUMZQUOT-MHOZHFGWSA-N 134812764 BRD-K84937637-001-09-9 sirolimus 0 95.47 Selleck S1039 Rapamycin (Sirolimus) 913.555 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|" QFJCIRLUMZQUOT-MHOZHFGWSA-N 134812764 BRD-K84937637-001-11-5 sirolimus 0 92.23 Selleck S1039 Rapamycin (Sirolimus) 913.555 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|" QFJCIRLUMZQUOT-MHOZHFGWSA-N 134812764 BRD-K79988249-001-01-6 BRD-K16472653-001-01-6 SirReal-2 0 97.4 Tocris 5457 SirReal 2 420.108 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 MENNDDDTIIZDDN-UHFFFAOYSA-N 1096292 BRD-K16472653-001-02-4 SirReal-2 0 99.29 Tocris 5457 SirReal2 420.108 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 MENNDDDTIIZDDN-UHFFFAOYSA-N 1096292 BRD-A23747351-001-06-8 sirtinol 0 11.06 Tocris 3521 Sirtinol 394.168 "C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 |&1:1,r|" UXJFDYIHRJGPFS-OVKKOYPGSA-N BRD-A23747351-001-07-6 sirtinol 0 5.37 Selleck S2804 Sirtinol 394.168 "C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 |&1:1,r|" UXJFDYIHRJGPFS-OVKKOYPGSA-N BRD-A23747351-001-08-9 sirtinol 0 1.88 Tocris 3521 Sirtinol 394.168 "C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 |&1:1,r|" UXJFDYIHRJGPFS-OVKKOYPGSA-N BRD-A23747351-001-05-0 sirtinol 0 5.76 Selleck S2804 Sirtinol 394.168 "C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 |&1:1,r|" UXJFDYIHRJGPFS-OVKKOYPGSA-N BRD-K38905597-003-01-4 SIS3 0 85.23 Tocris 5291 SIS3 453.205 COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 IJYPHMXWKKKHGT-VAWYXSNFSA-N 10138988 BRD-K38905597-003-02-9 SIS3 0 96.14 Tocris 5291 SIS3 453.205 COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 IJYPHMXWKKKHGT-VAWYXSNFSA-N 10138988 BRD-K71772032-001-01-3 sisomicin 0 0 MedChemEx HY-B1222 Sisomicin (sulfate) 447.269 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O |c:19| URWAJWIAIPFPJE-YFMIWBNJSA-N 36119 BRD-M71798497-001-01-4 BRD-K71772032-315-02-5 sisomicin 0 0 MedChemEx HY-B1222 Sisomicin (sulfate) 447.269 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O |c:19| URWAJWIAIPFPJE-YFMIWBNJSA-N 36119 BRD-M47753525-343-01-2 BRD-K71772032-315-01-7 sisomicin 0 11.93 AvaChem 3048 "4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)pentopyranoside" 447.269 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O |c:19| URWAJWIAIPFPJE-YFMIWBNJSA-N 36119 BRD-A29840884-001-01-2 BRD-K71772032-315-03-9 sisomicin 0 0 Selleck S4540 447.269 CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O |c:19| URWAJWIAIPFPJE-YFMIWBNJSA-N 36119 BRD-K71772032-343-03-9|BRD-K71772032-343-03-9|BRD-K71772032-343-03-9|BRD-K71772032-343-03-9 BRD-A68997559-065-04-5 sisomicin-sulfate 0 0 MicroSource 1500536 SISOMICIN SULFATE 447.269 "CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O |a:2,5,7,8,11,13,15,22,24,28,&1:3,c:19|" URWAJWIAIPFPJE-YFMIWBNJSA-N 36119 BRD-K10836013-002-02-9 sitafloxacin 0 98.54 MedChemEx HY-B0395C Sitafloxacin (hydrate) 409.1 N[C@@H]1CN(CC11CC1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F PNUZDKCDAWUEGK-CYZMBNFOSA-N 461399 BRD-K10836013-001-01-3 sitafloxacin 0 93.27 Selleck S2152 Sitafloxacin Hydrate 409.1 N[C@@H]1CN(CC11CC1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F PNUZDKCDAWUEGK-CYZMBNFOSA-N 461399 BRD-U60340452-000-01-3 BRD-K19416115-366-02-7 sitagliptin 0 92.37 MicroSource 1505831 SITAGLIPTIN MONOPHOSPHATE MONOHYDRATE 407.118 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F MFFMDFFZMYYVKS-SECBINFHSA-N 4369359 BRD-K19416115-001-05-3 sitagliptin 0 92.63 Selleck S4002 Sitagliptin phosphate monohydrate 407.118 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F MFFMDFFZMYYVKS-SECBINFHSA-N 4369359 BRD-U27206154-000-01-9 BRD-K63806092-236-05-9 sitaxentan 0 90.86 MedChemEx HY-11103 Sitaxsentan (sodium) 454.006 Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl PHWXUGHIIBDVKD-UHFFFAOYSA-N 216235 BRD-K63806092-236-06-9 sitaxentan 0 95.83 MedChemEx HY-11103 Sitaxsentan (sodium) 454.006 Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl PHWXUGHIIBDVKD-UHFFFAOYSA-N 216235 BRD-K63806092-236-03-4 sitaxentan 0 29.61 MedChemEx HY-11103 Sitaxsentan (sodium) 454.006 Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl PHWXUGHIIBDVKD-UHFFFAOYSA-N 216235 BRD-K63806092-236-02-6 sitaxentan 0 79.39 Selleck S3034 Sitaxentan sodium 454.006 Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl PHWXUGHIIBDVKD-UHFFFAOYSA-N 216235 BRD-K63806092-236-04-2 sitaxentan 0 93.75 Selleck S3034 Sitaxentan sodium (TBC-11251) 454.006 Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl PHWXUGHIIBDVKD-UHFFFAOYSA-N 216235 BRD-K79402892-001-08-9 sitosterol 0 1.26 MedChemEx HY-N0171 Beta-Sitosterol 414.386 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:13| KZJWDPNRJALLNS-VJSFXXLFSA-N 222284 BRD-K79402892-001-06-7 sitosterol 0 0 Selleck S2273 ??-Sitosterol 414.386 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:13| KZJWDPNRJALLNS-VJSFXXLFSA-N 222284 BRD-K79402892-001-07-5 sitosterol 0 0 Selleck S2273 ?-Sitosterol 414.386 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:13| KZJWDPNRJALLNS-VJSFXXLFSA-N 222284 BRD-K16553588-001-01-3 BRD-K00003238-001-01-9 sitravatinib 0 94.75 MedChemEx HY-16961 Sitravatinib 629.191 COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1 WLAVZAAODLTUSW-UHFFFAOYSA-N 25212148 BRD-K02152879-236-01-0 sivelestat 0 96.69 Tocris 3535 Sivelestat sodium salt 434.115 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O BTGNGJJLZOIYID-UHFFFAOYSA-N 107706 BRD-K02152879-414-02-1 sivelestat 0 97.49 MedChemEx HY-17443B Sivelestat (sodium tetrahydrate) 434.115 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O BTGNGJJLZOIYID-UHFFFAOYSA-N 107706 BRD-K02152879-414-01-3 sivelestat 0 78.64 MedChemEx HY-17443B Sivelestat (sodium tetrahydrate) 434.115 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O BTGNGJJLZOIYID-UHFFFAOYSA-N 107706 BRD-K35945299-001-04-2 SJ-172550 0 4.61 MedChemEx HY-16664 SJ-172550 428.114 CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC |c:9| RKKFQJXGAQWHBZ-LICLKQGHSA-N 1317464 BRD-K35945299-001-03-4 SJ-172550 0 4.71 Tocris 3929 SJ 172550 428.114 CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC |c:9| RKKFQJXGAQWHBZ-LICLKQGHSA-N 1317464 BRD-K35945299-001-02-6 SJ-172550 0 6.12 MedChemEx HY-16664 SJ-172550 428.114 CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC |c:9| RKKFQJXGAQWHBZ-LICLKQGHSA-N 1317464 BRD-K34798115-001-02-9 SJ-733 0 97.78 MedChemEx HY-19556 (+)-SJ733 468.121 Fc1ccc(NC(=O)[C@@H]2[C@H](N(CC(F)(F)F)C(=O)c3ccccc23)c2cccnc2)cc1C#N VKCPFWKTFZAOTO-LEWJYISDSA-N 89508529 BRD-K00003173-001-01-9 SJG-136 0 54.82 MedChemEx HY-14573 SJG-136 556.232 "COc1cc2c(cc1OCCCOc1cc3N=C[C@@H]4CC(=C)CN4C(=O)c3cc1OC)N=C[C@@H]1CC(=C)CN1C2=O |c:17,35|" RWZVMMQNDHPRQD-SFTDATJTSA-N 393111 BRD-K00004226-003-01-9 SK&F-10047-(+) 0 100 Tocris 1079 (+)-SK&F 10047 hydrochloride 257.178 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C LGQCVMYAEFTEFN-DQYPLSBCSA-N 3036222 BRD-K67304264-001-10-1 SKA-31 0 92.5 Tocris 3670 SKA 31 200.041 Nc1nc2c(ccc3ccccc23)s1 FECQXVPRUCCUIL-UHFFFAOYSA-N 94880 BRD-K67304264-001-08-5 SKA-31 0 92.73 Tocris 3670 SKA 31 200.041 Nc1nc2c(ccc3ccccc23)s1 FECQXVPRUCCUIL-UHFFFAOYSA-N 94880 BRD-K67304264-001-11-9 SKA-31 0 90.34 Tocris 3670 SKA 31 200.041 Nc1nc2c(ccc3ccccc23)s1 FECQXVPRUCCUIL-UHFFFAOYSA-N 94880 BRD-K83607951-001-02-2 skepinone-L 0 97.79 Selleck S7214 Skepinone-L 425.144 OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 HXMGCTFLLWPVFM-GOSISDBHSA-N 45279963 BRD-K83607951-001-04-9 skepinone-L 0 98.66 MedChemEx HY-15300 Skepinone-L 425.144 OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 HXMGCTFLLWPVFM-GOSISDBHSA-N 45279963 BRD-K01826815-004-03-9 SKF-38393 0 100 Tocris 922 SKF 38393 hydrobromide 255.126 Oc1cc2CCNC[C@@H](c3ccccc3)c2cc1O |&1:8| JUDKOGFHZYMDMF-AWEZNQCLSA-N 6603799 BRD-K01826815-004-02-9 SKF-38393 0 95.94 Tocris 922 SKF 38393 hydrobromide 335.052 Oc1cc2CCNC[C@@H](c3ccccc3)c2cc1O |&1:8| JUDKOGFHZYMDMF-AWEZNQCLSA-N 6603799 BRD-A64227845-004-10-9 SKF-77434 0 97.3 Tocris 1662 SKF 77434 hydrobromide 295.157 Oc1cc2CCN(CC=C)C[C@@H](c3ccccc3)c2cc1O |&1:11| QBUVZVXIRYFENV-KRWDZBQOSA-N 6603997 BRD-A64227845-004-09-3 SKF-77434 0 89 Tocris 1662 SKF 77434 hydrobromide 295.157 Oc1cc2CCN(CC=C)C[C@@H](c3ccccc3)c2cc1O |&1:11| QBUVZVXIRYFENV-KRWDZBQOSA-N 6603997 BRD-A09828896-004-12-8 SKF-81297 0 70.56 Tocris 1447 SKF 81297 hydrobromide 289.087 Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 GHWJEDJMOVUXEC-UHFFFAOYSA-N 11957706 BRD-A09828896-004-11-0 SKF-81297 0 94.79 Tocris 1447 SKF 81297 hydrobromide 289.087 Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 GHWJEDJMOVUXEC-UHFFFAOYSA-N 11957706 BRD-A52588987-004-09-0 SKF-83566 0 97.41 Tocris 1586 SKF 83566 hydrobromide 331.057 CN1CCc2cc(Br)c(O)cc2[C@@H](C1)c1ccccc1 |&1:12| XFTVOHWWEQGXLS-HNNXBMFYSA-N 6604885 BRD-A52588987-004-08-2 SKF-83566 0 97.34 Tocris 1586 SKF 83566 hydrobromide 331.057 CN1CCc2cc(Br)c(O)cc2[C@@H](C1)c1ccccc1 |&1:12| XFTVOHWWEQGXLS-HNNXBMFYSA-N 6604885 BRD-K96809896-300-03-9 SKF-86002 0 94.86 Tocris 2008 SKF 86002 dihydrochloride 297.074 Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1 YOELZIQOLWZLQC-UHFFFAOYSA-N 5228 BRD-K96809896-300-02-3 SKF-86002 0 93.26 Tocris 2008 SKF 86002 dihydrochloride 297.074 Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1 YOELZIQOLWZLQC-UHFFFAOYSA-N 5228 BRD-K01826728-003-08-9 SKF-89976A 0 91.66 Tocris 1081 SKF 89976A hydrochloride 371.165 OC(=O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |&1:3| TXQKSMSLZVKQBI-FQEVSTJZSA-N 6604015 BRD-K01826728-003-10-9 SKF-89976A 0 92.35 Tocris 1081 SKF 89976A hydrochloride 335.189 OC(=O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |&1:3| TXQKSMSLZVKQBI-FQEVSTJZSA-N 6604015 BRD-K01826728-003-07-9 SKF-89976A 0 97.09 Tocris 1081 SKF 89976A hydrochloride 371.165 OC(=O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |&1:3| TXQKSMSLZVKQBI-FQEVSTJZSA-N 6604015 BRD-K49776472-300-03-2 SKF-91488 0 0 Tocris 512 SKF 91488 dihydrochloride 175.114 CN(C)CCCCSC(N)=N UFYJLJINUGVUHO-UHFFFAOYSA-N 5227 BRD-K49776472-300-04-9 SKF-91488 0 78.22 Tocris 512 SKF 91488 dihydrochloride 175.114 CN(C)CCCCSC(N)=N UFYJLJINUGVUHO-UHFFFAOYSA-N 5227 BRD-K49776472-300-02-4 SKF-91488 0 74.58 Tocris 512 SKF 91488 dihydrochloride 175.114 CN(C)CCCCSC(N)=N UFYJLJINUGVUHO-UHFFFAOYSA-N 5227 BRD-K01826819-003-04-9 SKF-96365 0 98.58 Tocris 1147 SKF 96365 hydrochloride 402.171 COc1ccc(CCCO[C@@H](Cn2ccnc2)c2ccc(OC)cc2)cc1 |&1:10| HLMBXBGDBBCYII-QFIPXVFZSA-N 6604827 BRD-K20755323-001-06-7 SKI-II 0 89.16 Tocris 2097 SKI II 302.028 Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 ZFGXZJKLOFCECI-UHFFFAOYSA-N 753704 BRD-K20755323-001-05-9 SKI-II 0 84.6 Selleck S7176 SKI II 302.028 Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 ZFGXZJKLOFCECI-UHFFFAOYSA-N 753704 BRD-K20755323-001-07-5 SKI-II 0 94.83 Selleck S7176 SKI II 302.028 Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 ZFGXZJKLOFCECI-UHFFFAOYSA-N 753704 BRD-K00004690-001-01-9 SKLB-1028 0 86.39 Astatech 91330 SKLB-1028 443.255 CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 WSOHOUHPUOAXIN-UHFFFAOYSA-N 54760385 BRD-K29895144-001-01-0 SKLB1002 0 97.72 Selleck S7258 SKLB1002 320.04 COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC RQVGFDBMONQTBC-UHFFFAOYSA-N 71461003 BRD-K29895144-001-02-9 SKLB1002 0 96.48 MedChemEx HY-13944 SKLB1002 320.04 COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC RQVGFDBMONQTBC-UHFFFAOYSA-N 71461003 BRD-K00004304-001-01-9 SLV-319-(+/-) 0 97.15 Tocris 4605 (+/-)-SLV 319 486.068 "C\N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |&1:16,r,c:18|" AXJQVVLKUYCICH-OAQYLSRUSA-N 9826744 BRD-K34445261-001-02-2 SLV-320 0 91.33 Tocris 3344 "4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexanol" 308.164 O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r| RBZNJGHIKXAKQE-HDJSIYSDSA-N BRD-K34445261-001-01-4 SLV-320 0 26.62 Tocris 3344 SLV 320 308.164 O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r| RBZNJGHIKXAKQE-HDJSIYSDSA-N BRD-K70053378-001-02-9 SM-108 0 100 Ark AK-26137 4-hydroxy-1H-imidazole-5-carboxamide 127.038 NC(=O)C1N=CNC1=O |c:4| PXQCVBRDIZZRGM-UHFFFAOYSA-N 13371802 BRD-K70053378-001-01-1 SM-108 0 0 Ark AK-26137 127.038 NC(=O)C1N=CNC1=O |c:4| PXQCVBRDIZZRGM-UHFFFAOYSA-N 13371802 BRD-K06191411-001-02-5 SM-164 0 85.5 MedChemEx HY-15989 SM-164 1120.67 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 LGYDZXNSSLRFJS-IOQQVAQYSA-N 17756618 BRD-K06191411-001-01-7 SM-164 0 53.65 MedChemEx HY-15989 SM-164 1120.67 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 LGYDZXNSSLRFJS-IOQQVAQYSA-N 17756618 BRD-K00004213-050-01-9 SM-21 0 85.27 Tocris 751 SM-21 maleate 337.144 "CC[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C |&1:14,16,19,&2:2,r,TLB:22:21:17.18:14.15.20|" WTPAXDRULIZRDJ-ABFRBSLYSA-N BRD-K08478539-001-13-8 SMER-28 0 96.8 Tocris 4297 SMER 28 263.006 Brc1ccc2ncnc(NCC=C)c2c1 BCPOLXUSCUFDGE-UHFFFAOYSA-N 1560402 BRD-K08478539-001-06-2 SMER-28 0 100 Sigma S8197 SMER28 263.006 Brc1ccc2ncnc(NCC=C)c2c1 BCPOLXUSCUFDGE-UHFFFAOYSA-N 1560402 BRD-K98396737-001-05-9 SMI-4a 0 91.18 Tocris 3714 TCS PIM-1 4a 273.007 FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1 NGJLOFCOEOHFKQ-YVMONPNESA-N 1361334 BRD-K00004310-001-01-9 SN-2 0 94.95 Tocris 4907 SN 2 255.162 "Cc1cc(C)c(C2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)c(C)c1 |&1:9,10,13,15,t:6|" WKLZNTYMDOPBSE-IARIHHJXSA-N BRD-K89561498-001-03-3 SN-38 0 94.01 Tocris 2684 SN 38 392.137 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 FJHBVJOVLFPMQE-QFIPXVFZSA-N 104842 BRD-K89561498-001-02-5 SN-38 0 96.22 Tocris 2684 SN 38 392.137 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 FJHBVJOVLFPMQE-QFIPXVFZSA-N 104842 BRD-K89561498-001-04-9 SN-38 0 97.98 Tocris 2684 SN 38 392.137 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 FJHBVJOVLFPMQE-QFIPXVFZSA-N 104842 BRD-K89561498-001-01-7 SN-38 0 98.53 Selleck S4908 SN-38 392.137 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 FJHBVJOVLFPMQE-QFIPXVFZSA-N 104842 BRD-K01825672-001-01-9 SN-6 0 92.27 Tocris 2184 SN-6 402.125 "CCOC(=O)[C@H]1CS[C@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)N1 |&1:5,&2:8,r|" ZVYIJXLMBWCGHP-RTBURBONSA-N 93088127 BRD-K01825672-001-02-9 SN-6 0 48.67 Tocris 2184 SN-6 402.125 "CCOC(=O)[C@H]1CS[C@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)N1 |&1:5,&2:8,r|" ZVYIJXLMBWCGHP-RTBURBONSA-N 93088127 BRD-K01825672-001-04-9 SN-6 0 49.73 Tocris 2184 SN-6 402.125 "CCOC(=O)[C@H]1CS[C@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)N1 |&1:5,&2:8,r|" ZVYIJXLMBWCGHP-RTBURBONSA-N 93088127 BRD-A67006024-001-05-5 SNAP 1 40.86 Cayman 82250 N-acetyl-3-(nitrososulfanyl)valine 220.052 "CC(=O)N[C@@H](C(O)=O)C(C)(C)S[NH2+][O-] |&1:4,r|" MLXCQEWOIZBBDM-YFKPBYRVSA-N BRD-A67006024-001-04-8 SNAP 1 0 Cayman 82250 220.052 "CC(=O)N[C@@H](C(O)=O)C(C)(C)S[NH2+][O-] |&1:4,r|" MLXCQEWOIZBBDM-YFKPBYRVSA-N BRD-A21428877-003-02-7 SNAP-5089 0 64.33 Tocris 2398 SNAP 5089 608.3 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |&1:11,c:4,9|" FIIXCJGBCCCOQQ-XIFFEERXSA-N 10326374 BRD-A21428877-003-03-9 SNAP-5089 0 65.4 Tocris 2398 SNAP 5089 608.3 "COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |&1:11,c:4,9|" FIIXCJGBCCCOQQ-XIFFEERXSA-N 10326374 BRD-K49702221-003-02-4 SNAP-94847 0 96.02 Tocris 3347 SNAP 94847 hydrochloride 478.243 CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 VMLZFUVIKCGATC-UHFFFAOYSA-N 16756754 BRD-K49702221-003-01-6 SNAP-94847 0 97.3 Tocris 3347 SNAP 94847 hydrochloride 478.243 CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 VMLZFUVIKCGATC-UHFFFAOYSA-N 16756754 BRD-K49702221-003-03-9 SNAP-94847 0 96.02 Tocris 3347 SNAP 94847 hydrochloride 478.243 CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 VMLZFUVIKCGATC-UHFFFAOYSA-N 16756754 BRD-K29546239-001-04-9 SNC-80 0 96.73 Tocris 764 SNC 80 449.304 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 KQWVAUSXZDRQPZ-UMTXDNHDSA-N 123924 BRD-K29546239-001-05-9 SNC-80 0 98.29 Tocris 764 SNC 80 449.304 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 KQWVAUSXZDRQPZ-UMTXDNHDSA-N 123924 BRD-K29546239-001-02-3 SNC-80 0 96.13 Tocris 764 SNC 80 449.304 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 KQWVAUSXZDRQPZ-UMTXDNHDSA-N 123924 BRD-K75016267-001-02-9 SNG-1153 0 97.18 MedChemEx HY-19968 SNG-1153 406.103 CC(C)=CCc1c(O)cc(O)c2c1oc(c(O)c2=O)-c1ccc(cc1)C(F)(F)F OXHMDMVBLQNMGP-UHFFFAOYSA-N 71621167 BRD-K75016267-001-01-7 SNG-1153 0 93.39 MedChemEx HY-19968 SNG-1153 406.103 CC(C)=CCc1c(O)cc(O)c2c1oc(c(O)c2=O)-c1ccc(cc1)C(F)(F)F OXHMDMVBLQNMGP-UHFFFAOYSA-N 71621167 BRD-K71512533-066-03-6 SNS-314 0 96.75 Tocris 4584 SNS 314 mesylate 430.044 Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 FAYAUAZLLLJJGH-UHFFFAOYSA-N 24995524 BRD-K71512533-066-02-8 SNS-314 0 96.39 Selleck S1154 SNS-314 Mesylate 430.044 Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 FAYAUAZLLLJJGH-UHFFFAOYSA-N 24995524 BRD-K71281111-001-04-3 SNX-2112 0 97.02 Selleck S2639 SNX-2112 (PF-04928473) 464.204 CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r| ZFVRYNYOPQZKDG-MQMHXKEQSA-N BRD-K73197500-001-04-8 SNX-5422 0 89.48 MedChemEx HY-10213 PF-04929113 521.225 CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r| AVDSOVJPJZVBTC-CTYIDZIISA-N BRD-K73197500-001-02-2 SNX-5422 0 80.1 Selleck S2656 PF-04929113 (SNX-5422) 521.225 CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r| AVDSOVJPJZVBTC-CTYIDZIISA-N BRD-K73197500-001-03-0 SNX-5422 0 79.62 Selleck S2656 PF-04929113 (SNX-5422) 521.225 CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r| AVDSOVJPJZVBTC-CTYIDZIISA-N BRD-K85406984-001-03-9 sobetirome 0 93.88 Tocris 4554 GC 1 328.167 CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O QNAZTOHXCZPOSA-UHFFFAOYSA-N 9862248 BRD-K85406984-001-02-8 sobetirome 0 97.07 Tocris 4554 GC 1 328.167 CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O QNAZTOHXCZPOSA-UHFFFAOYSA-N 9862248 BRD-K85406984-001-01-0 sobetirome 0 97.26 MedChemEx HY-14823 Sobetirome 328.167 CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O QNAZTOHXCZPOSA-UHFFFAOYSA-N 9862248 BRD-K00003174-001-01-9 soblidotin 0 90.07 MedChemEx HY-14672 Soblidotin 701.509 [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1 DZMVCVHATYROOS-ZBFGKEHZSA-N 6918315 BRD-K58262380-001-01-0 sobrepin 0 0 TCI S0444 170.131 CC1=CC[C@H](C[C@@H]1O)C(C)(C)O |t:1| OMDMTHRBGUBUCO-BDAKNGLRSA-N 854498 BRD-K87595680-001-05-9 sobuzoxane 0 100 Astatech F52515 "[4-[2-[4-(2-METHYLPROPOXYCARBONYLOXYMETHYL)-3,5-DIOXOPIPERAZIN-1-YL]ETHYL]-2,6-DIOXOPIPERAZIN-1-YL]METHYL 2-METHYLPROPYL CARBONATE" 514.227 CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O OCOKWVBYZHBHLU-UHFFFAOYSA-N 5233 BRD-A67265925-236-01-8 sodium-ascorbate 1 0 Selleck S4245 Sodium ascorbate 178.048 "OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O |a:2,4,&1:8,&2:10|" SXZYCXMUPBBULW-NEEWWZBLSA-N 6857365 BRD-A67265925-236-02-6 sodium-ascorbate 1 0 Selleck S4245 Sodium ascorbate 178.048 "OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O |a:2,4,&1:8,&2:10|" SXZYCXMUPBBULW-NEEWWZBLSA-N 6857365 BRD-K05878375-236-05-7 sodium-butyrate 1 0 Selleck S1999 Sodium butyrate 88.052 CCCC(O)=O FERIUCNNQQJTOY-UHFFFAOYSA-N 264 BRD-K05878375-236-06-5 sodium-butyrate 1 0 Selleck S1999 Sodium butyrate 88.052 CCCC(O)=O FERIUCNNQQJTOY-UHFFFAOYSA-N 264 BRD-A93699261-236-02-6 sodium-danshensu 0 0 Selleck S2401 Sodium Danshensu 198.053 O[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |&1:1| PAFLSMZLRSPALU-QMMMGPOBSA-N 179536 BRD-A93699261-236-03-4 sodium-danshensu 0 100 Selleck S2401 Sodium Danshensu 198.053 O[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |&1:1| PAFLSMZLRSPALU-QMMMGPOBSA-N 179536 BRD-A93699261-236-04-2 sodium-danshensu 0 0 Selleck S2401 Sodium Danshensu 198.053 O[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |&1:1| PAFLSMZLRSPALU-QMMMGPOBSA-N 179536 BRD-M58433298-001-02-4 sodium-dodecyl-sulfate 1 98.3 Sigma 74255 sodium dodecyl sulfate 289.145 [Na].CCCCCCCCCCCCOS(O)(=O)=O ISYOIFGRKUYTGX-UHFFFAOYSA-N BRD-M58433298-001-01-6 sodium-dodecyl-sulfate 1 0 Enamine Z1365432828 289.145 [Na].CCCCCCCCCCCCOS(O)(=O)=O ISYOIFGRKUYTGX-UHFFFAOYSA-N BRD-K93201765-236-02-9 sodium-gluconate 1 0 MedChemEx HY-B1092A Gluconate (sodium) 196.058 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O RGHNJXZEOKUKBD-SQOUGZDYSA-N 10690 BRD-K93201765-001-01-0 sodium-gluconate 1 0 MicroSource 1300035 SODIUM GLUCONATE 196.058 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O RGHNJXZEOKUKBD-SQOUGZDYSA-N 10690 BRD-M54096567-001-02-7 BRD-K80043866-236-01-1 sodium-gualenate 0 99.62 AKSci R239 278.098 CC(C)c1ccc(C)c2c(cc(C)c2c1)S(O)(=O)=O VIZXMHCBZLGUET-UHFFFAOYSA-N 2275 BRD-K99308954-304-03-2 sodium-monofluorophosphate 1 0 MicroSource 1506192 SODIUM MONOFLUOROPHOSPHATE 99.973 OP(O)(F)=O DWYMPOCYEZONEA-UHFFFAOYSA-N 24267 BRD-K99308954-304-02-4 sodium-monofluorophosphate 1 0 Selleck S4013 Sodium Monofluorophosphate 99.973 OP(O)(F)=O DWYMPOCYEZONEA-UHFFFAOYSA-N 24267 BRD-K99308954-304-04-0 sodium-monofluorophosphate 1 0 Selleck S4013 Sodium Monofluorophosphate 99.973 OP(O)(F)=O DWYMPOCYEZONEA-UHFFFAOYSA-N 24267 BRD-K61230716-236-02-7 sodium-nitrite 1 0 Selleck S4074 Sodium Nitrite 45.993 [O-][NH2+][O-] ROODZSDSPAHHIS-UHFFFAOYSA-N 129009887 BRD-K61230716-236-03-5 sodium-nitrite 1 0 Selleck S4074 Sodium Nitrite 45.993 [O-][NH2+][O-] ROODZSDSPAHHIS-UHFFFAOYSA-N 129009887 BRD-K00003606-380-01-9 sodium-nitroprusside 0 94.4 MedChemEx HY-A0119 Nitroprusside (disodium dihydrate) 215.948 [O-][N+][Fe--](C#N)(C#N)(C#N)(C#N)C#N WTISQLWAPBSCSF-UHFFFAOYSA-N BRD-K60600693-314-02-4 sodium-orthovanadate 1 5.51 Selleck S2000 Sodium orthovanadate 117.947 O[V](O)(O)=O WQEVDHBJGNOKKO-UHFFFAOYSA-K 417214 BRD-K60600693-314-03-2 sodium-orthovanadate 1 0 Selleck S2000 Sodium orthovanadate 117.947 O[V](O)(O)=O WQEVDHBJGNOKKO-UHFFFAOYSA-K 417214 BRD-K77251551-304-03-9 sodium-picosulfate 0 94.85 MedChemEx HY-B0544 Sodium Picosulfate 437.024 OS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(O)(=O)=O)cc1)c1ccccn1 UJIDKYTZIQTXPM-UHFFFAOYSA-N 5243 BRD-K77251551-304-02-9 sodium-picosulfate 0 91.14 Selleck S4020 Sodium Picosulfate 437.024 OS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(O)(=O)=O)cc1)c1ccccn1 UJIDKYTZIQTXPM-UHFFFAOYSA-N 5243 BRD-K00003543-412-01-9 sodium-stibogluconate 0 0 MedChemEx HY-100595 Stibogluconate (sodium) 677.878 [H][C@@]1(O[Sb]2(O)(O[Sb]34(O)O[C@H]([C@@H](O3)[C@]([H])(O4)[C@H](O)CO)C(O)=O)O[C@H]([C@H]1O2)C(O)=O)[C@H](O)CO RPOBPHCDIPHDQL-XCCFGPONSA-L BRD-K84798689-236-02-9 sodium-tanshinone-II-A-sulfonate 0 93.63 Ark AK128306 374.082 Cc1c2c(oc1S(O)(=O)=O)-c1ccc3c(CCCC3(C)C)c1C(=O)C2=O UJCACMLMPLLRGW-UHFFFAOYSA-N 125782 BRD-A55664972-236-02-6 sodium-tetradecyl-sulfate 0 98.56 MicroSource 1300042 SODIUM TETRADECYL SULFATE 294.186 "CCCC[C@@H](CC)CC[C@@H](CC(C)C)OS(O)(=O)=O |&1:4,&2:9|" GROJOWHVXQYQGN-KGLIPLIRSA-N 51382662 BRD-K01039503-001-01-2 sofalcone 0 97.31 Cayman 11882 450.204 CC(C)=CCOc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC(O)=O)cc1 GFWRVVCDTLRWPK-KPKJPENVSA-N 5282219 BRD-K00026984-001-02-9 sofosbuvir 0 93.26 MedChemEx HY-15005 Sofosbuvir 529.163 CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 TTZHDVOVKQGIBA-IQWMDFIBSA-N 45375808 BRD-K05674516-001-02-5 BRD-K00003527-001-01-9 sofosbuvir-impurity-m 0 95.1 MedChemEx HY-I0735 Sofosbuvir impurity M 527.167 CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)[C@@H]1O)Oc1ccccc1 WAKQLZVLNOKKHE-BFQGEBBDSA-N 131704521 BRD-K00004608-001-01-9 sograzepide 0 63.93 MedChemEx HY-14850 Sograzepide 498.238 CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12| YDZYKNJZCVIKPP-VWLOTQADSA-N 9870520 BRD-A65562236-001-01-2 solamargine 0 100 MedChemEx HY-N0069 Solamargine 867.498 "C[C@H]1[C@H]2[C@@H](C[C@H]3[C@H]4CC=C5C[C@@H](CC[C@@]5(C)[C@@H]4CC[C@@]23C)O[C@H]2O[C@@H](CO)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@]11CC[C@@H](C)CN1 |&1:1,&2:2,&3:3,&4:5,&5:6,&6:11,&7:14,&8:16,&9:19,&10:22,&11:24,&12:27,&13:29,&14:31,&15:33,&16:35,&17:37,&18:39,&19:41,&20:43,&21:45,&22:47,&23:49,&24:51,&25:54,&26:57,r,t:8|" MBWUSSKCCUMJHO-OXBNUUDKSA-N BRD-K69215269-001-01-1 solcitinib 0 97.64 MedChemEx HY-16755 Solcitinib 389.185 CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 MPYACSQFXVMWNO-UHFFFAOYSA-N 44603362 BRD-K00003600-001-01-9 solifenacin-succinate 0 97.25 MedChemEx HY-A0034 Solifenacin 362.199 [H][C@@]1(C[N@@]2CC[C@H]1CC2)OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 FBOUYBDGKBSUES-VXKWHMMOSA-N 154059 BRD-K32256160-001-01-9 solithromycin 0 96.7 MedChemEx HY-17593 Solithromycin 844.475 CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(nn3)-c3cccc(N)c3)C(=O)O[C@]12C)OC IXXFZUPTQVDPPK-ALZZPGSQSA-N BRD-K00004707-001-01-9 solriamfetol 0 84.07 AMS Q69522 (R)-2-amino-3-phenylpropyl carbamate 194.106 N[C@@H](COC(N)=O)Cc1ccccc1 UCTRAOBQFUDCSR-SECBINFHSA-N 10130337 BRD-K85764479-003-01-0 somantadine 0 97.8 ChemBridge 4102463 "1-((3r,5r,7r)-adamantan-1-yl)-2-methylpropan-2-amine hydrochloride" 207.199 CC(C)(N)CC12CC3CC(CC(C3)C1)C2 OWKXRDQRMTVCEX-UHFFFAOYSA-N 50234 BRD-K14681867-001-01-6 somatostatin 0 82.44 Key HS-2027 "(4R,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[({[(2S)-2-aminopropanoyl]amino}acetyl)amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydro;xymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24," 1636.717 C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O NHXLMOGPVYXJNR-FMFSXUEQSA-N BRD-K14681867-001-02-9 somatostatin 0 70.37 Key HS-2027 "(4R,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[({[(2S)-2-aminopropanoyl]amino}acetyl)amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydro" 1636.717 C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O NHXLMOGPVYXJNR-FMFSXUEQSA-N BRD-K69857269-001-03-9 sonepiprazole 0 92.91 Sigma PZ0174 "4-(4-{2-[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl}-1-piperazinyl)benzenesulfonamide" 401.177 NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 WNUQCGWXPNGORO-NRFANRHFSA-N 133079 BRD-K19796430-001-05-6 sonidegib 0 89.4 Selleck S2151 "LDE225 (NVP-LDE225,Erismodegib)" 485.193 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(c2C)-c2ccc(OC(F)(F)F)cc2)cn1 VZZJRYRQSPEMTK-CALCHBBNSA-N 24775005 BRD-K19796430-001-09-8 sonidegib 0 95.51 Selleck S2151 "LDE225 (NVP-LDE225, Erismodegib)" 485.193 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(c2C)-c2ccc(OC(F)(F)F)cc2)cn1 VZZJRYRQSPEMTK-CALCHBBNSA-N 24775005 BRD-K66845263-001-03-0 sophocarpine 0 96.27 Vitas-M STK801894 "13,14-didehydromatridin-15-one" 246.173 O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 |c:2| AAGFPTSOPGCENQ-JLNYLFASSA-N 115269 BRD-K66845263-001-04-8 sophocarpine 0 1.87 Selleck S2405 Sophocarpine 246.173 O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 |c:2| AAGFPTSOPGCENQ-JLNYLFASSA-N 115269 BRD-K10999968-001-01-4 BRD-K66845263-001-02-2 sophocarpine 0 0 Selleck S2405 Sophocarpine 246.173 O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 |c:2| AAGFPTSOPGCENQ-JLNYLFASSA-N 115269 BRD-K23984367-075-15-2 sorafenib 0 98.3 Selleck S1040 Sorafenib Tosylate 464.086 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 MLDQJTXFUGDVEO-UHFFFAOYSA-N 216239 BRD-K23984367-001-07-5 sorafenib 0 97.97 Selleck S7397 Sorafenib 464.086 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 MLDQJTXFUGDVEO-UHFFFAOYSA-N 216239 BRD-K00004585-001-01-9 soraprazan 0 94.94 MedChemEx HY-100414 Soraprazan 367.19 COCCO[C@H]1[C@H](O)[C@H](Nc2c1ccn1c(C)c(C)nc21)c1ccccc1 PWILYDZRJORZDR-MISYRCLQSA-N 213054 BRD-K88734090-001-07-9 sorbic-acid 0 0 Sigma MFCD00002703 Sorbic acid 112.052 C\C=C\C=C\C(O)=O WSWCOQWTEOXDQX-MQQKCMAXSA-N 643460 BRD-A89164055-001-04-9 sorbinil 0 0 Sigma MFCD01569247 6-FLUORO-4-CHROMANONE HYDANTOIN 236.06 "Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |&1:8,r|" LXANPKRCLVQAOG-NSHDSACASA-N 337359 BRD-A89164055-001-03-3 sorbinil 0 98.08 Key FS-1063 236.06 "Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |&1:8,r|" LXANPKRCLVQAOG-NSHDSACASA-N 337359 BRD-A70197423-001-01-3 sorbitan-monostearate 0 0 InterBioScreen STOCK1N-15360 430.329 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O |a:23,26,28,&1:21|" HVUMOYIDDBPOLL-XWVZOOPGSA-N 16218600 BRD-A70197423-001-02-9 sorbitan-monostearate 0 27.6 InterBioScreen STOCK1N-15360 "(R)-2-((2R,3R,4S)-3,4-dihydroxytetrahydrofuran-2-yl)-2-hydroxyethyl stearate" 430.329 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O |a:23,26,28,&1:21|" HVUMOYIDDBPOLL-XWVZOOPGSA-N 16218600 BRD-K66035042-001-15-9 sorbitol 0 100 MedChemEx HY-B0400 D-Sorbitol 182.079 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-JGWLITMVSA-N 5780 BRD-K66035042-001-11-9 sorbitol 0 100 MicroSource 1300028 MANNITOL 182.079 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-JGWLITMVSA-N 5780 BRD-K66035042-001-10-1 sorbitol 0 100 Selleck S2393 Sorbitol 182.079 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-JGWLITMVSA-N 5780 BRD-K66035042-001-14-3 sorbitol 0 0 Selleck S2393 SORBITOL 182.079 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-JGWLITMVSA-N 5780 BRD-K05850076-001-01-5 sotagliflozin 0 95.58 MedChemEx HY-15516 LX-4211 424.111 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 QKDRXGFQVGOQKS-CRSSMBPESA-N 24831714 BRD-K05850076-001-02-9 sotagliflozin 0 95.34 MedChemEx HY-15516 Sotagliflozin 424.111 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 QKDRXGFQVGOQKS-CRSSMBPESA-N 24831714 BRD-A33168282-003-18-0 sotalol 0 98.92 MicroSource 1506043 SOTALOL HYDROCHLORIDE 272.119 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 ZBMZVLHSJCTVON-UHFFFAOYSA-N 67108155 BRD-A33168282-003-16-4 sotalol 0 95.35 Selleck S2509 Sotalol 272.119 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 ZBMZVLHSJCTVON-UHFFFAOYSA-N 67108155 BRD-A33168282-003-17-2 sotalol 0 98.02 Tocris 952 Sotalol hydrochloride 272.119 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 ZBMZVLHSJCTVON-UHFFFAOYSA-N 67108155 BRD-K16761703-001-05-9 sotrastaurin 0 98.9 MedChemEx HY-10343 Sotrastaurin 438.18 CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| OAVGBZOFDPFGPJ-UHFFFAOYSA-N 10296883 BRD-K16761703-001-03-8 sotrastaurin 0 96.57 Selleck S2791 Sotrastaurin 438.18 CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| OAVGBZOFDPFGPJ-UHFFFAOYSA-N 10296883 BRD-K71900389-001-01-9 SP-100030 0 62.11 Tocris 5309 SP 100030 436.998 FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F GHMKQBWHPQMXSH-UHFFFAOYSA-N 9910975 BRD-K71900389-001-02-9 SP-100030 0 83.3 Tocris 5309 SP 100030 436.998 FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F GHMKQBWHPQMXSH-UHFFFAOYSA-N 9910975 BRD-K28571773-001-01-6 SP-141 0 96.64 Tocris 5332 SP 141 324.126 COc1ccc2[nH]c3c(nccc3c2c1)-c1cccc2ccccc12 AABFWJDLCCDJJN-UHFFFAOYSA-N 59620153 BRD-K28571773-001-02-9 SP-141 0 97.08 Tocris 5332 SP 141 324.126 COc1ccc2[nH]c3c(nccc3c2c1)-c1cccc2ccccc12 AABFWJDLCCDJJN-UHFFFAOYSA-N 59620153 BRD-K23005288-001-01-8 SP-420 0 85.18 MedChemEx HY-16912 SP-420 355.109 COCCOCCOc1ccc(C2=N[C@](C)(CS2)C(O)=O)c(O)c1 |t:12| YASYAEVZKXPYIZ-MRXNPFEDSA-N 135511704 BRD-K68405354-001-07-2 spaglumic-acid 0 98.11 Prestwick Prestw-1091 Spaglumic acid 304.091 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O OPVPGKGADVGKTG-BQBZGAKWSA-N 188803 BRD-K96659869-001-09-4 BRD-K68405354-001-08-0 spaglumic-acid 0 82.3 Enzo ALX-151-020-M010 N-acetyl-Asp-Glu-OH 304.091 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O OPVPGKGADVGKTG-BQBZGAKWSA-N 188803 BRD-K68405354-001-06-4 spaglumic-acid 0 80.26 Tocris 391 Spaglumic acid 304.091 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O OPVPGKGADVGKTG-BQBZGAKWSA-N 188803 BRD-K07612980-001-08-9 sparfloxacin 0 96.86 MedChemEx HY-B0308 Sparfloxacin 392.166 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 DZZWHBIBMUVIIW-DTORHVGOSA-N 6956367 BRD-K07612980-001-07-9 sparfloxacin 0 91.04 MicroSource 1502338 SPARFLOXACIN 392.166 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 DZZWHBIBMUVIIW-DTORHVGOSA-N 6956367 BRD-A26423207-001-01-0 BRD-K07612980-001-04-6 sparfloxacin 0 82.32 Selleck S1884 Sparfloxacin 392.166 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 DZZWHBIBMUVIIW-DTORHVGOSA-N 6956367 BRD-K07612980-001-05-3 sparfloxacin 0 91.61 Selleck S1884 Sparfloxacin 392.166 C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 DZZWHBIBMUVIIW-DTORHVGOSA-N 6956367 BRD-A81539525-433-01-5 sparfosate 0 0 AMS A001089261 lithium (2-phosphonatoacetyl)aspartate 255.014 OC(=O)C[C@@H](NC(=O)CP(O)(O)=O)C(O)=O |&1:4| ZZKNRXZVGOYGJT-GSVOUGTGSA-N 46936683 BRD-K00003253-001-01-9 sparsentan 0 96.98 MedChemEx HY-17621 Sparsentan 592.272 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C |t:4| WRFHGDPIDHPWIQ-UHFFFAOYSA-N 10257882 BRD-K86872788-065-01-5 sparteine-(-) 0 100 Oakwood 99249 (-)-Sparteine sulfate 234.21 C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 SLRCCWJSBJZJBV-ZQDZILKHSA-N 644020 BRD-K38203080-001-01-2 sparteine-(+) 0 93.7 Oakwood 361994 (+)-Sparteine 234.21 C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 SLRCCWJSBJZJBV-TUVASFSCSA-N 7014 BRD-K32847234-065-04-6 sparteine-sulfate 0 100 MicroSource 300548 SPARTEINE SULFATE 234.21 C1CCN2C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 SLRCCWJSBJZJBV-NMWPEEMBSA-N 442965 BRD-K84964099-001-03-9 spautin-1 0 98 Tocris 5197 Spautin 1 271.092 Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1 AWIVHRPYFSSVOG-UHFFFAOYSA-N 51037431 BRD-K84964099-001-02-9 spautin-1 0 93.94 Tocris 5197 Spautin 1 271.092 Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1 AWIVHRPYFSSVOG-UHFFFAOYSA-N 51037431 BRD-K11905747-300-11-3 spectinomycin 0 0 MedChemEx HY-B0438 Spectinomycin (dihydrochloride) 332.158 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O UNFWWIHTNXNPBV-WXKVUWSESA-N 15541 BRD-K11905747-300-10-5 spectinomycin 0 0 MedChemEx HY-B0438 Spectinomycin (dihydrochloride) 332.158 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O UNFWWIHTNXNPBV-WXKVUWSESA-N 15541 BRD-K11905747-300-09-7 spectinomycin 0 68.33 Selleck S2510 Spectinomycin hydrochloride 332.158 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O UNFWWIHTNXNPBV-WXKVUWSESA-N 15541 BRD-K11905747-300-08-9 spectinomycin 0 0 MicroSource 1500538 SPECTINOMYCIN HYDROCHLORIDE 332.158 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O UNFWWIHTNXNPBV-WXKVUWSESA-N 15541 BRD-K11905747-300-12-1 spectinomycin 0 0 Selleck S2510 Spectinomycin HCl 332.158 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O UNFWWIHTNXNPBV-WXKVUWSESA-N 15541 BRD-K38300715-300-01-5 BRD-K40438880-305-06-6 spermidine 0 100 Tocris 959 Spermidine trihydrochloride 145.158 NCCCCNCCCN ATHGHQPFGPMSJY-UHFFFAOYSA-N 1102 BRD-K18375018-376-02-3 spermine 0 100 Enzo AC412 Spermine 4HCl 202.216 NCCCNCCCCNCCCN PFNFFQXMRSDOHW-UHFFFAOYSA-N 1103 BRD-K01825110-001-02-9 sphingosylphosphorylcholine 0 100 EMDBio 567735-10MG Sphingosylphosphoryl-choline 465.346 "CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(=O)OCC[N+](C)(C)C |a:15,17,&1:21|" JLVSPVFPBBFMBE-HXSWCURESA-O 5280613 BRD-K55468218-001-26-1 spiperone 0 96.07 MicroSource 1501152 SPIPERONE 395.201 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 DKGZKTPJOSAWFA-UHFFFAOYSA-N 5265 BRD-K55468218-003-02-8 spiperone 0 92.97 Tocris 995 Spiperone hydrochloride 395.201 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 DKGZKTPJOSAWFA-UHFFFAOYSA-N 5265 BRD-K28192623-066-08-1 spiradoline 0 97.66 Enzo AC771 U-62066 424.168 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 NYKCGQQJNVPOLU-ONTIZHBOSA-N 55652 BRD-K28192623-001-01-3 spiradoline 0 98.15 Sigma U105-25MG U-62066 424.168 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 NYKCGQQJNVPOLU-ONTIZHBOSA-N 55652 BRD-K00003542-001-01-9 spiramycin 0 87.58 MedChemEx HY-100593 Spiramycin 842.514 "CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C |t:12,14|" ACTOXUHEUCPTEW-VTGPZPQGSA-N BRD-K96684644-300-01-7 spirobromin 0 0 MatrixSci 59769 494.089 BrCCC(=O)N1CC[N+]2(CC1)CC[N+]1(CCN(CC1)C(=O)CCBr)CC2 JXEICPOBKSQAIU-UHFFFAOYSA-N 72115 BRD-K90027355-001-16-6 spironolactone 0 72.42 Tocris 2968 Spironolactone 416.202 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |t:6| LXMSZDCAJNLERA-ZHYRCANASA-N 5833 BRD-K90027355-001-21-9 spironolactone 0 90.24 Tocris 2968 Spironolactone 416.202 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |t:6| LXMSZDCAJNLERA-ZHYRCANASA-N 5833 BRD-K90027355-001-19-0 spironolactone 0 95.91 MicroSource 1500539 SPIRONOLACTONE 416.202 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |t:6| LXMSZDCAJNLERA-ZHYRCANASA-N 5833 BRD-A97808748-001-03-8 BRD-K90027355-001-20-8 spironolactone 0 89.92 Selleck S4054 Spironolactone 416.202 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |t:6| LXMSZDCAJNLERA-ZHYRCANASA-N 5833 BRD-A71422083-001-15-5|BRD-K30171400-001-01-2 BRD-K90027355-001-13-3 spironolactone 0 98.19 Selleck S4054 spironolactone 416.202 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |t:6| LXMSZDCAJNLERA-ZHYRCANASA-N 5833 BRD-A72483914-001-05-9 spiroxatrine 0 91.09 Tocris 631 Spiroxatrine 379.19 "O=C1NCN(c2ccccc2)C11CCN(C[C@H]2COc3ccccc3O2)CC1 |&1:16,r|" JVGBTTIJPBFLTE-SFHVURJKSA-N 6603993 BRD-A72483914-001-03-7 spiroxatrine 0 91.05 Tocris 631 Spiroxatrine 379.19 "O=C1NCN(c2ccccc2)C11CCN(C[C@H]2COc3ccccc3O2)CC1 |&1:16,r|" JVGBTTIJPBFLTE-SFHVURJKSA-N 6603993 BRD-K94934625-001-01-5 spizofurone 0 97.9 Sigma PH011174 "5-acetyl-3H-spiro[benzofuran-2,1'-cyclopropan]-3-one" 202.063 CC(=O)c1ccc2OC3(CC3)C(=O)c2c1 SETMGIIITGNLAS-UHFFFAOYSA-N 71755 BRD-K27710560-001-07-5 splitomycin 0 38.94 Tocris 1542 Splitomicin 198.068 O=C1CCc2c(O1)ccc1ccccc21 ISFPDBUKMJDAJH-UHFFFAOYSA-N 5269 BRD-K19203487-001-01-4 SPP301 0 99.69 MedChemEx HY-15195 Avosentan 479.126 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OC)-c1ccncc1 YBWLTKFZAOSWSM-UHFFFAOYSA-N 9912992 BRD-K63253858-001-02-9 SPP86 0 96.2 Tocris 5391 SPP 86 277.133 CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12 JQOIRTDBHMDWMT-UHFFFAOYSA-N 66549796 BRD-K63253858-001-01-5 SPP86 0 98.51 Tocris 5391 SPP 86 277.133 CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12 JQOIRTDBHMDWMT-UHFFFAOYSA-N 66549796 BRD-A08772153-001-01-6 SQ-109 0 55.38 MedChemEx HY-14989 SQ109 330.303 CC(C)=CCC\C(C)=C\CNCCNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r| JFIBVDBTCDTBRH-UNRAVDGJSA-N BRD-A08772153-001-02-4 SQ-109 0 97.97 MedChemEx HY-14989 SQ109 330.303 CC(C)=CCC\C(C)=C\CNCCNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r| JFIBVDBTCDTBRH-UNRAVDGJSA-N BRD-A56987319-001-13-7 SQ-22536 0 96.17 Tocris 1435 SQ 22536 205.096 "Nc1ncnc2n(cnc12)[C@H]1CCCO1 |&1:10,r|" UKHMZCMKHPHFOT-ZCFIWIBFSA-N 22879197 BRD-A56987319-001-12-9 SQ-22536 0 98.05 Tocris 1435 SQ 22536 205.096 "Nc1ncnc2n(cnc12)[C@H]1CCCO1 |&1:10,r|" UKHMZCMKHPHFOT-ZCFIWIBFSA-N 22879197 BRD-K00003215-043-01-9 squalamine 0 94.7 MedChemEx HY-16467 Squalamine lactate 627.464 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C UIRKNQLZZXALBI-MSVGPLKSSA-N 72495 BRD-K00004684-001-01-9 squaric-acid-dibutyl-ester 0 0 AMS A294391 "3,4-dibutoxy-3-cyclobutene-1,2-dione" 226.121 CCCCOc1c(OCCCC)c(=O)c1=O XBRWELTXMQSEIN-UHFFFAOYSA-N 65108 BRD-K26501486-001-02-9 SR-1078 0 93.79 Tocris 4874 SR 1078 431.057 OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F DUXWIYXHHGNUJU-UHFFFAOYSA-N 17980288 BRD-K26501486-001-01-3 SR-1078 0 90.05 Tocris 4874 SR 1078 431.057 OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F DUXWIYXHHGNUJU-UHFFFAOYSA-N 17980288 BRD-K16229414-001-02-9 SR-11302 0 64.05 Tocris 2476 SR-11302 376.24 C\C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/c1ccc(C)cc1)=C/C(O)=O |c:8| RQANARBNMTXCDM-DKOHIBGUSA-N 9976842 BRD-K16229414-001-01-0 SR-11302 0 0 Tocris 2476 SR 11302 376.24 C\C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/c1ccc(C)cc1)=C/C(O)=O |c:8| RQANARBNMTXCDM-DKOHIBGUSA-N 9976842 BRD-K60931454-003-01-3 SR-140333 0 94.45 Tocris 4012 SR 140333 619.286 CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 RPDFDSQFBCJTDY-GAQXSTBRSA-N 108167 BRD-K60931454-003-02-9 SR-140333 0 93.26 Tocris 4012 SR 140333 619.286 CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 RPDFDSQFBCJTDY-GAQXSTBRSA-N 108167 BRD-K62814487-001-03-0 SR-1664 0 94.36 Tocris 4409 SR 1664 547.211 C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)[N+]([O-])=O IIJDFXNUWZTHIM-NRFANRHFSA-N 53239854 BRD-K62814487-001-04-8 SR-1664 0 90.93 Sigma SML0636 SR1664 547.211 C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)[N+]([O-])=O IIJDFXNUWZTHIM-NRFANRHFSA-N 53239854 BRD-K11641193-001-03-9 SR-2211 0 95.83 Tocris 4869 SR 2211 527.181 OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F KVHKWAZUPPBMLL-UHFFFAOYSA-N 51035449 BRD-K11641193-001-02-6 SR-2211 0 92.59 Tocris 4869 SR 2211 527.181 OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F KVHKWAZUPPBMLL-UHFFFAOYSA-N 51035449 BRD-K62562723-003-03-5 SR-2640 0 94.07 Tocris 1804 SR 2640 hydrochloride 370.132 OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 LMPZHLXYBWGGNT-UHFFFAOYSA-N 128355 BRD-K62562723-003-08-9 SR-2640 0 95.08 Tocris 1804 SR 2640 hydrochloride 370.132 OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 LMPZHLXYBWGGNT-UHFFFAOYSA-N 128355 BRD-K62562723-003-02-7 SR-2640 0 90.01 Tocris 1804 SR 2640 hydrochloride 370.132 OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 LMPZHLXYBWGGNT-UHFFFAOYSA-N 128355 BRD-K35629949-001-03-8 SR-27897 0 99.12 Tocris 2190 SR 27897 411.044 OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl ILNRQFBVVQUOLP-UHFFFAOYSA-N 122077 BRD-K35629949-001-02-0 SR-27897 0 98.17 Tocris 2190 SR 27897 411.044 OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl ILNRQFBVVQUOLP-UHFFFAOYSA-N 122077 BRD-K60952143-001-01-0 SR-3306 0 95.09 MedChemEx HY-12829 SR-3306 490.223 Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1 QDMXVKKPYBGIAS-UHFFFAOYSA-N 57519510 BRD-K43002771-034-02-4 SR-33805 0 97.8 Tocris 1806 SR 33805 oxalate 564.266 COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(C(C)C)c3ccccc3n2C)cc1OC GCVFQRRBTCHIPK-UHFFFAOYSA-N 9850876 BRD-K43002771-034-01-6 SR-33805 0 92.87 Tocris 1806 SR 33805 oxalate 564.266 COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(C(C)C)c3ccccc3n2C)cc1OC GCVFQRRBTCHIPK-UHFFFAOYSA-N 9850876 BRD-K43002771-034-03-9 SR-33805 0 96.02 Tocris 1806 SR 33805 oxalate 564.266 COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(C(C)C)c3ccccc3n2C)cc1OC GCVFQRRBTCHIPK-UHFFFAOYSA-N 9850876 BRD-K50378376-001-02-9 SR-3576 0 96.29 Tocris 5044 SR 3576 501.201 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC MTFAYLZZDJGFGV-UHFFFAOYSA-N 70702008 BRD-K50378376-001-01-8 SR-3576 0 99.49 Tocris 5044 SR 3576 501.201 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC MTFAYLZZDJGFGV-UHFFFAOYSA-N 70702008 BRD-A86468475-300-01-3 SR-3677 0 79.6 Tocris 3667 SR 3677 dihydrochloride 408.18 CN(C)CCOc1cc(ccc1NC(=O)[C@H]1COc2ccccc2O1)-c1cn[nH]c1 |&1:15| OQWZIAVXCYIZNN-OAQYLSRUSA-N 93600633 BRD-A86468475-300-02-9 SR-3677 0 90.89 Tocris 3667 SR 3677 dihydrochloride 408.18 CN(C)CCOc1cc(ccc1NC(=O)[C@H]1COc2ccccc2O1)-c1cn[nH]c1 |&1:15| OQWZIAVXCYIZNN-OAQYLSRUSA-N 93600633 BRD-K09397065-003-06-1 SR-57227A 0 95.89 Tocris 1205 SR 57227 hydrochloride 211.088 NC1CCN(CC1)c1cccc(Cl)n1 WPVVMKYQOMJPIN-UHFFFAOYSA-N 131747 BRD-K09397065-003-07-9 SR-57227A 0 90.47 Tocris 1205 SR 57227 hydrochloride 211.088 NC1CCN(CC1)c1cccc(Cl)n1 WPVVMKYQOMJPIN-UHFFFAOYSA-N 131747 BRD-K35430135-003-03-1 SR-59230A 0 88.83 Tocris 1511 SR 59230A hydrochloride 325.204 CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 VFDHMSXXELYMRW-ICSRJNTNSA-N 5311452 BRD-K35430135-003-06-9 SR-59230A 0 94.47 Tocris 1511 SR 59230A hydrochloride 325.204 CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 VFDHMSXXELYMRW-ICSRJNTNSA-N 5311452 BRD-K35430135-003-02-3 SR-59230A 0 95.68 Tocris 1511 SR 59230A hydrochloride 325.204 CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 VFDHMSXXELYMRW-ICSRJNTNSA-N 5311452 BRD-K19309090-300-05-5 SR-95639A 0 98.78 Prestwick Prestw-406 "Morpholinoethylamino-3-benzocyclohepta-(5,6-c)-pyridazine dihydrochloride" 324.195 C(CN1CCOCC1)Nc1cc2CCCc3ccccc3-c2nn1 RUTYAHFAKWVMNH-UHFFFAOYSA-N 195165 BRD-K50495309-001-03-8 SRC-kinase-inhibitor-I 0 98.13 Tocris 3642 Src I1 373.143 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC DMWVGXGXHPOEPT-UHFFFAOYSA-N 1474853 BRD-K50495309-001-02-0 SRC-kinase-inhibitor-I 0 98.18 Tocris 3642 Src I1 373.143 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC DMWVGXGXHPOEPT-UHFFFAOYSA-N 1474853 BRD-K62621335-001-03-9 SRPIN340 0 95.73 Tocris 5063 SRPIN340 349.14 FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1 DWFGGOFPIISJIT-UHFFFAOYSA-N 2797577 BRD-K62621335-001-02-5 SRPIN340 0 98.5 Tocris 5063 SRPIN340 349.14 FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1 DWFGGOFPIISJIT-UHFFFAOYSA-N 2797577 BRD-K62621335-001-01-7 SRPIN340 0 97.53 Selleck S7270 SRPIN340 349.14 FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1 DWFGGOFPIISJIT-UHFFFAOYSA-N 2797577 BRD-K95926480-003-03-6 SRT1720 0 93.47 Selleck S1129 SRT1720 469.168 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 IASPBORHOMBZMY-UHFFFAOYSA-N 24180125 BRD-K95926480-003-06-9 SRT1720 0 77.24 MedChemEx HY-15145 SRT 1720 (Hydrochloride) 469.168 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 IASPBORHOMBZMY-UHFFFAOYSA-N 24180125 BRD-K48452630-001-01-8 SRT2104 0 99.71 Selleck S7792 SRT2104 (GSK2245840) 516.14 Cc1nc(sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1)-c1cccnc1 LAMQVIQMVKWXOC-UHFFFAOYSA-N 25108829 BRD-K48452630-001-02-6 SRT2104 0 97.38 MedChemEx HY-15262 SRT 2104 516.14 Cc1nc(sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1)-c1cccnc1 LAMQVIQMVKWXOC-UHFFFAOYSA-N 25108829 BRD-K34801930-001-02-9 SRT3190 0 98.38 MedChemEx HY-13021 SRT3190 475.116 C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO QVKPEMXUBULFBM-FZMZJTMJSA-N 59149652 BRD-K34801930-001-01-9 SRT3190 0 98.58 MedChemEx HY-13021 SRT3190 475.116 C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO QVKPEMXUBULFBM-FZMZJTMJSA-N 59149652 BRD-K65890018-236-01-1 SSR128129E 0 95.43 Selleck S7167 SSR128129E 324.111 COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12 SNMCWIDCSPHZRD-UHFFFAOYSA-N 11347895 BRD-K65890018-236-02-9 SSR128129E 0 96.61 MedChemEx HY-15599 SSR128129E 324.111 COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12 SNMCWIDCSPHZRD-UHFFFAOYSA-N 11347895 BRD-K00004316-003-01-9 SSR180711 0 90.15 Tocris 5559 SSR 180711 hydrochloride 324.047 Brc1ccc(OC(=O)N2CC[N@@]3CC[C@H]2CC3)cc1 |r| RXLOZRCLQMJJLC-UHFFFAOYSA-N 9797360 BRD-K00003186-003-01-9 SSR240612 0 96.86 MedChemEx HY-15039 SSR240612 756.356 COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1)C(=O)N(C)C(C)C)c1ccc2OCOc2c1 QGWIQIAWOCJRPI-WSCVWKGISA-N 9853583 BRD-K00004706-001-01-9 ST-1535 0 89.18 AMS L14959 st-1535 272.15 CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 CYYQMAWUIRPCNW-UHFFFAOYSA-N 9860294 BRD-K73524797-001-02-9 ST-1859 0 96.67 Sigma MFCD00046470 "1,1'-Methylene-di(2-naphthol)" 300.115 Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12 ZPANWZBSGMDWON-UHFFFAOYSA-N 14187 BRD-K73524797-001-01-1 ST-1859 0 95.5 Enamine Z56948405 300.115 Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12 ZPANWZBSGMDWON-UHFFFAOYSA-N 14187 BRD-K68470841-001-01-0 ST-2825 0 97.03 MedChemEx HY-50937 ST 2825 590.116 NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)Cc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)C(=O)N12 HBLHLJXFIPCEMW-ZJSFPPFMSA-N 24808138 BRD-K18905250-003-03-2 ST-91 0 93.75 Tocris 2638 ST 91 217.158 CCc1cccc(CC)c1NC1=NCCN1 |t:12| IALHTUPVRAQZFI-UHFFFAOYSA-N 20864 BRD-K18905250-003-02-4 ST-91 0 92.31 Tocris 2638 ST 91 217.158 CCc1cccc(CC)c1NC1=NCCN1 |t:12| IALHTUPVRAQZFI-UHFFFAOYSA-N 20864 BRD-K18905250-003-04-9 ST-91 0 96.08 Tocris 2638 ST 91 217.158 CCc1cccc(CC)c1NC1=NCCN1 |t:12| IALHTUPVRAQZFI-UHFFFAOYSA-N 20864 BRD-K41783120-001-02-8 STA-5326 0 98.13 MedChemEx HY-14644 Apilimod 418.212 Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 HSKAZIJJKRAJAV-KOEQRZSOSA-N 10173277 BRD-K41783120-001-04-4 STA-5326 0 96.42 ApexBio B3581 apilimod 418.212 Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 "InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+" 10173277 BRD-K40853697-001-20-5 STAT3-inhibitor-VI 0 96.39 MedChemEx HY-15146 NSC 74859 365.057 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 HWNUSGNZBAISFM-UHFFFAOYSA-N 252682 BRD-K40853697-001-19-7 STAT3-inhibitor-VI 0 0 Tocris 4655 NSC 74859 365.057 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 HWNUSGNZBAISFM-UHFFFAOYSA-N 252682 BRD-K40853697-001-12-2 STAT3-inhibitor-VI 0 0 Selleck S1155 S3I-201 365.057 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 HWNUSGNZBAISFM-UHFFFAOYSA-N 252682 BRD-K40853697-001-17-1 STAT3-inhibitor-VI 0 58.33 Selleck S1155 NSC 74859 (S3I-201) 365.057 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 HWNUSGNZBAISFM-UHFFFAOYSA-N 252682 BRD-K40853697-001-18-9 STAT3-inhibitor-VI 0 0 MedChemEx HY-15146 NSC 74859 365.057 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 HWNUSGNZBAISFM-UHFFFAOYSA-N 252682 BRD-K68332390-001-04-9 statil 0 95.19 CombiBlocks QJ-0339 Statil 390.002 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 LKBFFDOJUKLQNY-UHFFFAOYSA-N 5278 BRD-K17061841-001-03-5 stattic 0 95.9 Selleck S7024 Stattic 210.994 [O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 |c:7| ZRRGOUHITGRLBA-UHFFFAOYSA-N 2779853 BRD-K93880783-001-27-4 stavudine 0 79.84 Tocris 4990 Stavudine 224.08 Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |c:9| XNKLLVCARDGLGL-JGVFFNPUSA-N 18283 BRD-K93880783-001-29-9 stavudine 0 95.45 Tocris 4990 Stavudine 224.08 Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |c:9| XNKLLVCARDGLGL-JGVFFNPUSA-N 18283 BRD-K93880783-001-26-6 stavudine 0 98.62 MicroSource 1502339 STAVUDINE 224.08 Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |c:9| XNKLLVCARDGLGL-JGVFFNPUSA-N 18283 BRD-K93880783-001-28-2 stavudine 0 94.29 Selleck S1398 Stavudine (d4T) 224.08 Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |c:9| XNKLLVCARDGLGL-JGVFFNPUSA-N 18283 BRD-A06317634-001-10-2 BRD-K36739687-001-03-0 stemregenin-1 0 95.36 Selleck S2858 StemRegenin 1 (SR1) 429.162 CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12 BGFHMYJZJZLMHW-UHFFFAOYSA-N 46199207 BRD-A04506385-001-01-2 stepronin 0 98.87 AKSci H988 273.013 "C[C@@H](SC(=O)c1cccs1)C(=O)NCC(O)=O |&1:1,r|" JNYSEDHQJCOWQU-ZCFIWIBFSA-N 37888256 BRD-K93900986-001-15-0 stetaderm 0 96.74 Sigma MFCD00003652 "(11alpha)-11-hydroxypregn-4-ene-3,20-dione" 330.219 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C |t:10| BFZHCUBIASXHPK-QJSKAATBSA-N 92730 BRD-K13049524-001-04-6 STF-083010 0 1.02 MedChemEx HY-15845 STF-083010 317.018 Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1 TVIVJHZHPKNDAQ-MHWRWJLKSA-N 135398515 BRD-K13049524-001-03-8 STF-083010 0 0 MedChemEx HY-15845 STF-083010 317.018 Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1 TVIVJHZHPKNDAQ-MHWRWJLKSA-N 135398515 BRD-K39171998-001-05-9 STF-118804 0 93.56 Tocris 5207 STF 118804 461.141 Cc1oc(nc1CS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C(=O)NCc1cccnc1 DLFCEZOMHBPDGI-UHFFFAOYSA-N 20916937 BRD-K39171998-001-04-5 STF-118804 0 95.32 Tocris 5207 STF 118804 461.141 Cc1oc(nc1CS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C(=O)NCc1cccnc1 DLFCEZOMHBPDGI-UHFFFAOYSA-N 20916937 BRD-K39171998-001-01-1 STF-118804 0 96.03 Selleck S7316 STF-118804 461.141 Cc1oc(nc1CS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C(=O)NCc1cccnc1 DLFCEZOMHBPDGI-UHFFFAOYSA-N 20916937 BRD-K22477529-001-02-7 STF-31 0 95.84 Tocris 4484 STF 31 423.162 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 NGQPRVWTFNBUHA-UHFFFAOYSA-N 984333 BRD-K22477529-001-01-9 STF-31 0 100 Broad Institute 423.162 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 NGQPRVWTFNBUHA-UHFFFAOYSA-N 984333 BRD-K85479953-001-12-1 STF-62247 0 89.5 Selleck S1041 STF-62247 267.083 Cc1cccc(Nc2nc(cs2)-c2ccncc2)c1 KATNUHQNJGNLPW-UHFFFAOYSA-N 704473 BRD-K85479953-001-11-3 STF-62247 0 80.1 Selleck S1041 STF-62247 267.083 Cc1cccc(Nc2nc(cs2)-c2ccncc2)c1 KATNUHQNJGNLPW-UHFFFAOYSA-N 704473 BRD-K41422683-001-02-2 stigmasterol 0 0 Selleck S2361 Stigmasterol (Stigmasterin) 412.371 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:13| HCXVJBMSMIARIN-PHZDYDNGSA-N 5280794 BRD-K41422683-001-05-5 stigmasterol 0 0 Selleck S2361 Stigmasterol 412.371 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:13| HCXVJBMSMIARIN-PHZDYDNGSA-N 5280794 BRD-K84424780-001-01-0 BRD-A72441487-001-05-7 stiripentol 0 0 Sigma S6826 "(1E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol" 234.126 "CC(C)(C)[C@@H](O)\C=C\c1ccc2OCOc2c1 |&1:4,r|" IBLNKMRFIPWSOY-IYNGYCSASA-N 25271730 BRD-K33839500-001-01-0 stobadine 0 67.37 Enamine EN300-191957 "(4aR,9bS)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole" 202.147 CN1CC[C@H]2Nc3ccc(C)cc3[C@H]2C1 CYJQCYXRNNCURD-DGCLKSJQSA-N 108089 BRD-K07166362-330-01-0 streptomycin 0 0 Selleck S2572 Streptomycin sulfate 581.266 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O UCSJYZPVAKXKNQ-HZYVHMACSA-N 19649 BRD-K91768078-330-01-5|BRD-M30124979-326-01-1 BRD-K07166362-330-02-8 streptomycin 0 94.3 Selleck S2572 Streptomycin sulfate 581.266 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O UCSJYZPVAKXKNQ-HZYVHMACSA-N 19649 BRD-K91768078-330-02-3|BRD-M87628937-326-02-2 BRD-K07166362-065-03-9 streptomycin 0 0 MedChemEx HY-B0472 Streptomycin (sulfate) 581.266 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O UCSJYZPVAKXKNQ-HZYVHMACSA-N 19649 BRD-K34411947-001-14-1 streptozotocin 0 0 Sigma S0130 2-deoxy-2-{[(1-methyl-2-oxohydrazino)carbonyl]amino}-alpha-D-glucopyranose 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-K34411947-001-15-8 streptozotocin 0 0 MedChemEx HY-13753 Streptozocin 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-K34411947-001-13-3 streptozotocin 0 0 Selleck S1312 Streptozotocin (Zanosar) 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-K34411947-001-12-5 streptozotocin 0 83.34 MicroSource 1500543 STREPTOZOSIN 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-K34411947-001-11-7 streptozotocin 0 0 Selleck S1312 Streptozotocin (STZ) 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-K34411947-001-17-4 streptozotocin 0 0 Tocris 1621 Streptozocin 265.091 CN([NH2+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O BKWHZSFINQBEQH-GKHCUFPYSA-N 124202159 BRD-A25576662-001-02-2 BRD-K83146339-001-04-0 strontium-ranelate 1 0 LKT S7970 "strontium 2,2'-(5-carboxylato-4-(carboxylatomethyl)-3-cyanothiophen-2-ylazanediyl)diacetate" 513.796 OC1=CN(C=C(O)O[Sr]O1)c1sc2c(CC(=O)O[Sr]OC2=O)c1C#N TWHPPRXFYWSOQF-UHFFFAOYSA-J BRD-M65265990-001-03-0 BRD-K83146339-001-02-4 strontium-ranelate 1 0 MedChemEx HY-17397 Strontium Ranelate 513.796 OC1=CN(C=C(O)O[Sr]O1)c1sc2c(CC(=O)O[Sr]OC2=O)c1C#N TWHPPRXFYWSOQF-UHFFFAOYSA-J BRD-K83146339-001-03-2 strontium-ranelate 0 0 Selleck S2050 Strontium ranelate (Protelos) 513.796 OC1=CN(C=C(O)O[Sr]O1)c1sc2c(CC(=O)O[Sr]OC2=O)c1C#N TWHPPRXFYWSOQF-UHFFFAOYSA-J BRD-K88014802-001-01-9|BRD-M65265990-001-02-2 BRD-K83146339-001-05-7 strontium-ranelate 0 0 Selleck S2050 Strontium ranelate (Protelos) 513.796 OC1=CN(C=C(O)O[Sr]O1)c1sc2c(CC(=O)O[Sr]OC2=O)c1C#N TWHPPRXFYWSOQF-UHFFFAOYSA-J BRD-K83146339-001-01-6|BRD-K83146339-001-01-6|BRD-K83146339-001-01-6|BRD-K83146339-001-01-6 BRD-K72572686-001-02-9 strychnine 0 92.76 Sigma S0532-5G strychnine 334.168 O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61 |t:6| QMGVPVSNSZLJIA-FVWCLLPLSA-N 441071 BRD-K00003547-001-01-9 SU014813 0 67.11 MedChemEx HY-10501 SU14813 442.202 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 CTNPALGJUAXMMC-PMFHANACSA-N 10138259 BRD-K02965346-001-07-5 SU11274 0 96.9 Selleck S1080 SU11274 567.171 CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1 FPYJSJDOHRDAMT-KQWNVCNZSA-N 9549297 BRD-K59067695-001-02-0 BRD-K02965346-001-06-7 SU11274 0 94.73 Tocris 4101 SU 11274 567.171 CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1 FPYJSJDOHRDAMT-KQWNVCNZSA-N 9549297 BRD-K91106808-001-03-9 SU16f 0 93.54 Tocris 3304 SU 16f 386.163 Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O APYYTEJNOZQZNA-MOSHPQCFSA-N 5329150 BRD-K91106808-001-02-0 SU16f 0 91.62 Tocris 3304 SU 16f 386.163 Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O APYYTEJNOZQZNA-MOSHPQCFSA-N 5329150 BRD-K32730239-001-02-8 SU3327 0 94.69 Tocris 3607 SU 3327 260.945 Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 NQQBNZBOOHHVQP-UHFFFAOYSA-N 11837140 BRD-K32730239-001-01-0 SU3327 0 94.58 Tocris 3607 SU 3327 260.945 Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 NQQBNZBOOHHVQP-UHFFFAOYSA-N 11837140 BRD-K32730239-001-03-9 SU3327 0 87.95 Tocris 3607 SU 3327 260.945 Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 NQQBNZBOOHHVQP-UHFFFAOYSA-N 11837140 BRD-K20287671-001-07-9 SU4312 0 66.55 Tocris 1459 SU 4312 264.126 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 UAKWLVYMKBWHMX-PTNGSMBKSA-N 6450842 BRD-K20287671-001-06-9 SU4312 0 67.6 Tocris 1459 SU 4312 264.126 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 UAKWLVYMKBWHMX-PTNGSMBKSA-N 6450842 BRD-K94883909-001-18-5 SU9516 0 70.89 Tocris 2907 SU 9516 241.085 COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1 QNUKRWAIZMBVCU-WCIBSUBMSA-N 5289419 BRD-K94883909-001-17-7 SU9516 0 87.43 MedChemEx HY-18629 SU9516 241.085 COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1 QNUKRWAIZMBVCU-WCIBSUBMSA-N 5289419 BRD-K23106423-001-01-0 substance-P 0 92.33 Tocris 1156 "2-({5-amino-2-[({1-[6-amino-2-({[1-(2-amino-5-{[amino(imino)methyl]amino}pentanoyl)-2-pyrrolidinyl]carbonyl}amino)hexanoyl]-2-pyrrolidinyl}carbonyl)amino]-5-oxopentanoyl}amino)-N~1~-[13-(aminocarbonyl;)-1,4-dibenzyl-10-isobutyl-2,5,8,11-tetraoxo-16-thia-3" 1346.728 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O ADNPLDHMAVUMIW-CUZNLEPHSA-N 36511 BRD-K45238818-001-02-6 succinic-acid 0 100 Enamine Z57127453 118.027 OC(=O)CCC(O)=O KDYFGRWQOYBRFD-UHFFFAOYSA-N 21952380 BRD-K00003183-001-01-9 succinobucol 0 99.04 MedChemEx HY-14937 Succinobucol 616.326 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(OC(=O)CCC(O)=O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C RKSMVPNZHBRNNS-UHFFFAOYSA-N 216325 BRD-K45497762-336-03-2 succinylcholine-chloride 0 0 Sigma MFCD00150564 trimethyl[2-({4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl}oxy)ethyl]ammonium dichloride dihydrate 290.221 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C AXOIZCJOOAYSMI-UHFFFAOYSA-N 5314 BRD-K45497762-300-01-2 succinylcholine-chloride 0 0 DuPont A000521780 trimethyl[2-({4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl}oxy)ethyl]ammonium dichloride 290.221 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C AXOIZCJOOAYSMI-UHFFFAOYSA-N 5314 BRD-K45497762-336-01-6 succinylcholine-chloride 0 0 Selleck S4121 Succinylcholine Chloride Dihydrate 290.221 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C AXOIZCJOOAYSMI-UHFFFAOYSA-N 5314 BRD-K45497762-336-02-4 succinylcholine-chloride 0 66.78 Selleck S4121 Succinylcholine Chloride Dihydrate 290.221 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C AXOIZCJOOAYSMI-UHFFFAOYSA-N 5314 BRD-K01950558-001-15-9 succinylsulfathiazole 0 95.36 MedChemEx HY-B0921 Succinylsulfathiazole 355.03 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 SKVLYVHULOWXTD-UHFFFAOYSA-N 5315 BRD-K01950558-001-14-7 succinylsulfathiazole 0 96.18 MicroSource 1502025 SUCCINYLSULFATHIAZOLE 355.03 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 SKVLYVHULOWXTD-UHFFFAOYSA-N 5315 BRD-M71167108-001-01-3 sucralfate 0 0 MicroSource 1505950 SUCRALFATE [5mM] 2085.522 O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O DTULOKYBGCTCFP-QRLOXDDHSA-A BRD-M71167108-001-02-1 sucralfate 0 0 Selleck S4670 SUCRALFATE [5mM] 2085.522 O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O DTULOKYBGCTCFP-QRLOXDDHSA-A BRD-K58968598-001-04-9 sucralose 0 99.2 MedChemEx HY-N0614 Sucralose 396.015 OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl BAQAVOSOZGMPRM-QBMZZYIRSA-N 71485 BRD-K58968598-001-02-8 sucralose 0 99.56 MicroSource 1505953 SUCRALOSE 396.015 OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl BAQAVOSOZGMPRM-QBMZZYIRSA-N 71485 BRD-K58968598-001-03-6 sucralose 0 100 Selleck S4214 Sucralose 396.015 OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl BAQAVOSOZGMPRM-QBMZZYIRSA-N 71485 BRD-K23414802-001-01-9 BRD-K74724920-001-02-4 sucrose 0 99.8 Sigma 84097 alpha-D-lyxo-hex-5-ulofuranosyl alpha-D-glucopyranoside 342.116 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O CZMRCDWAGMRECN-UGDNZRGBSA-N 5988 BRD-K01294196-001-01-5 sucrose-octaacetate 0 100 Acros 41979 "Sucrose octaacetate, 98%" 678.201 CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZIJKGAXBCRWEOL-SAXBRCJISA-N 31340 BRD-K00004524-001-01-9 sudan-IV 0 62.07 Sigma MFCD00003893 Sudan IV 380.164 Cc1ccccc1\N=N\c1ccc(\N=N\c2c(O)ccc3ccccc23)c(C)c1 RCTGMCJBQGBLKT-PAMTUDGESA-N BRD-K00004582-001-01-9 sufugolix 0 93.8 MedChemEx HY-100209 Sufugolix 667.206 CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 UCQSBGOFELXYIN-UHFFFAOYSA-N 3038517 BRD-K00003322-363-01-9 sugammadex 0 0 MedChemEx HY-B0079 Sugammadex (sodium) 2000.409 O[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]4O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]5O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]6O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]7O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]8O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]9O[C@@H](CSCCC(O)=O)[C@H](O[C@@H]1O[C@H]2CSCCC(O)=O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O WHRODDIHRRDWEW-WXUQZJQRSA-N BRD-K44133266-001-13-9 sulbactam 0 89.06 MedChemEx HY-B0334 Sulbactam 233.036 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O FKENQMMABCRJMK-RITPCOANSA-N 130313 BRD-K44133266-001-10-0 sulbactam 0 98.41 Selleck S1958 Sulbactam 233.036 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O FKENQMMABCRJMK-RITPCOANSA-N 130313 BRD-K85679373-001-01-1 BRD-K44133266-236-03-7 sulbactam 0 57.32 Selleck S2551 Sulbactam sodium 233.036 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O FKENQMMABCRJMK-RITPCOANSA-N 130313 BRD-K85679373-236-01-3 BRD-K44133266-001-12-6 sulbactam 0 81.28 Selleck S1958 SULBACTAM 233.036 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O FKENQMMABCRJMK-RITPCOANSA-N 130313 BRD-K44133266-236-02-9 sulbactam 0 77.03 Selleck S2551 Sulbactam sodium (Unasyn) 233.036 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O FKENQMMABCRJMK-RITPCOANSA-N 130313 BRD-A63431791-001-01-9 sulbactam-pivoxil 0 85.23 AvaChem 3125 "(pivaloyloxy)methyl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide" 347.104 "CC(C)(C)C(=O)OCOC(=O)[C@H]1N2[C@@H](CC2=O)S(=O)(=O)C1(C)C |&1:11,&2:13,r|" OHPVYKXTRACOSQ-NXEZZACHSA-N 40537219 BRD-K72384124-001-10-9 sulbentine 0 93.39 MedChemEx HY-B1133 Sulbentine 314.091 S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1 QFVAWNPSRQWSDU-UHFFFAOYSA-N 67686 BRD-K72384124-001-08-0 sulbentine 0 94.5 MicroSource 1506106 SULBENTINE 314.091 S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1 QFVAWNPSRQWSDU-UHFFFAOYSA-N 67686 BRD-K73698987-001-01-3 BRD-K12539416-001-01-4 sulbutiamine 0 97.93 AKSci O483 702.298 CC(C)C(=O)OCC\C(SS\C(CCOC(=O)C(C)C)=C(/C)N(Cc1cnc(C)nc1N)C=O)=C(\C)N(Cc1cnc(C)nc1N)C=O CKHJPWQVLKHBIH-GPAWKIAZSA-N 3002120 BRD-A70649075-008-30-8 sulconazole 0 99.7 MicroSource 1501148 SULCONAZOLE NITRATE 396.002 Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| AFNXATANNDIXLG-SFHVURJKSA-N 6604421 BRD-A70649075-008-32-9 sulconazole 0 99.05 MedChemEx HY-B1460A Sulconazole (nitrate) 396.002 Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| AFNXATANNDIXLG-SFHVURJKSA-N 6604421 BRD-A70649075-008-29-0 sulconazole 0 98.23 Selleck S4120 Sulconazole Nitrate 396.002 Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |&1:7| AFNXATANNDIXLG-SFHVURJKSA-N 6604421 BRD-K59983611-001-21-9 sulfabenzamide 0 98.4 MicroSource 1500544 SULFABENZAMIDE 276.057 Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1 PBCZLFBEBARBBI-UHFFFAOYSA-N 5319 BRD-K13486660-001-02-9 sulfacarbamide 0 100 MedChemEx HY-B1236 Sulfacarbamide 215.036 NC(=O)NS(=O)(=O)c1ccc(N)cc1 WVAKABMNNSMCDK-UHFFFAOYSA-N 11033 BRD-K13486660-001-01-0 sulfacarbamide 0 91.78 MicroSource 1506107 SULFACARBAMIDE 215.036 NC(=O)NS(=O)(=O)c1ccc(N)cc1 WVAKABMNNSMCDK-UHFFFAOYSA-N 11033 BRD-K21520694-236-02-6 sulfacetamide 0 94.36 Selleck S4081 Sulfacetamide Sodium 214.041 CC(=O)NS(=O)(=O)c1ccc(N)cc1 SKIVFJLNDNKQPD-UHFFFAOYSA-N 5320 BRD-K21520694-001-21-4 sulfacetamide 0 0 MicroSource 1500545 SULFACETAMIDE 214.041 CC(=O)NS(=O)(=O)c1ccc(N)cc1 SKIVFJLNDNKQPD-UHFFFAOYSA-N 5320 BRD-K21520694-236-03-4 sulfacetamide 0 97.83 Selleck S4081 SULFACETAMIDE 214.041 CC(=O)NS(=O)(=O)c1ccc(N)cc1 SKIVFJLNDNKQPD-UHFFFAOYSA-N 5320 BRD-K32021043-001-15-9 sulfachlorpyridazine 0 97.32 MedChemEx HY-B1781 Sulfachloropyridazine 284.013 Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1 XOXHILFPRYWFOD-UHFFFAOYSA-N 6634 BRD-K32021043-001-14-3 sulfachlorpyridazine 0 98.26 MicroSource 1501142 SULFACHLORPYRIDAZINE 284.013 Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1 XOXHILFPRYWFOD-UHFFFAOYSA-N 6634 BRD-K32273377-001-20-9 sulfadiazine 0 98.02 MedChemEx HY-B0273 Sulfadiazine 250.052 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 SEEPANYCNGTZFQ-UHFFFAOYSA-N 5215 BRD-K32273377-001-17-9 sulfadiazine 0 99.24 Enamine Z104472626 250.052 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 SEEPANYCNGTZFQ-UHFFFAOYSA-N 5215 BRD-K32273377-001-15-3 sulfadiazine 0 95.9 Selleck S1770 Sulfadiazine 250.052 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 SEEPANYCNGTZFQ-UHFFFAOYSA-N 5215 BRD-K32273377-001-16-1 sulfadiazine 0 97.99 MicroSource 1500546 SULFADIAZINE 250.052 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 SEEPANYCNGTZFQ-UHFFFAOYSA-N 5215 BRD-K55250441-001-17-9 sulfadoxine 0 94.79 MedChemEx HY-B0439 Sulfadoxine 310.074 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC PJSFRIWCGOHTNF-UHFFFAOYSA-N 17134 BRD-K55250441-001-13-0 sulfadoxine 0 96.8 MicroSource 1506086 SULFADOXINE 310.074 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC PJSFRIWCGOHTNF-UHFFFAOYSA-N 17134 BRD-K55250441-001-12-2 sulfadoxine 0 94.76 Selleck S2511 Sulfadoxine (Sulphadoxine) 310.074 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC PJSFRIWCGOHTNF-UHFFFAOYSA-N 17134 BRD-K50859149-001-24-9 sulfafurazole 0 95.88 Tocris 731 Sulfisoxazole 267.068 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C NHUHCSRWZMLRLA-UHFFFAOYSA-N 5344 BRD-K50859149-001-18-7 sulfafurazole 0 93.85 Tocris 731 Sulfisoxazole 267.068 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C NHUHCSRWZMLRLA-UHFFFAOYSA-N 5344 BRD-K50859149-001-19-5 sulfafurazole 0 97.76 MicroSource 1500555 SULFISOXAZOLE 267.068 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C NHUHCSRWZMLRLA-UHFFFAOYSA-N 5344 BRD-K50859149-001-23-7 sulfafurazole 0 97.68 Selleck S1916 SULFISOXAZOLE ACETYL 267.068 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C NHUHCSRWZMLRLA-UHFFFAOYSA-N 5344 BRD-K50859149-001-17-9 sulfafurazole 0 94.88 Selleck S1916 Sulfisoxazole 267.068 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C NHUHCSRWZMLRLA-UHFFFAOYSA-N 5344 BRD-K45086103-001-17-9 sulfaguanidine 0 100 MedChemEx HY-B1267 Sulfaguanidine 214.052 NC(=N)NS(=O)(=O)c1ccc(N)cc1 BRBKOPJOKNSWSG-UHFFFAOYSA-N 5324 BRD-K45086103-001-15-5 sulfaguanidine 0 100 MicroSource 1501146 SULFAGUANIDINE 214.052 NC(=N)NS(=O)(=O)c1ccc(N)cc1 BRBKOPJOKNSWSG-UHFFFAOYSA-N 5324 BRD-K45086103-001-14-8 sulfaguanidine 0 77.69 Selleck S4175 Sulfaguanidine 214.052 NC(=N)NS(=O)(=O)c1ccc(N)cc1 BRBKOPJOKNSWSG-UHFFFAOYSA-N 5324 BRD-K45086103-001-16-3 sulfaguanidine 0 100 Selleck S4175 Sulfaguanidine 214.052 NC(=N)NS(=O)(=O)c1ccc(N)cc1 BRBKOPJOKNSWSG-UHFFFAOYSA-N 5324 BRD-K93524252-001-27-9 sulfamerazine 0 98.24 MedChemEx HY-B0512 Sulfamerazine 264.068 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 QPPBRPIAZZHUNT-UHFFFAOYSA-N 5325 BRD-K93524252-001-24-7 sulfamerazine 0 98.29 MicroSource 1500547 SULFAMERAZINE 264.068 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 QPPBRPIAZZHUNT-UHFFFAOYSA-N 5325 BRD-K93524252-001-23-9 sulfamerazine 0 98.63 Selleck S3132 Sulfamerazine 264.068 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 QPPBRPIAZZHUNT-UHFFFAOYSA-N 5325 BRD-K87492696-001-18-9 sulfameter 0 99.1 MedChemEx HY-B0213 Sulfameter 280.063 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 GPTONYMQFTZPKC-UHFFFAOYSA-N 5326 BRD-K87492696-001-15-7 sulfameter 0 96.7 Selleck S1618 Sulfameter 280.063 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 GPTONYMQFTZPKC-UHFFFAOYSA-N 5326 BRD-K87492696-001-16-5 sulfameter 0 98.75 MicroSource 1501155 SULFAMETER 280.063 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 GPTONYMQFTZPKC-UHFFFAOYSA-N 5326 BRD-K11640013-001-17-9 sulfamethazine 0 96.5 MedChemEx HY-B0035 Sulfamethazine 278.084 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 ASWVTGNCAZCNNR-UHFFFAOYSA-N 5327 BRD-K11640013-236-10-1 sulfamethazine 0 99.35 Prestwick Prestw-775 Sulfamethazine sodium salt 278.084 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 ASWVTGNCAZCNNR-UHFFFAOYSA-N 5327 BRD-K11640013-001-15-8 sulfamethazine 0 97.81 MicroSource 1500548 SULFAMETHAZINE 278.084 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 ASWVTGNCAZCNNR-UHFFFAOYSA-N 5327 BRD-K11640013-001-14-1 sulfamethazine 0 96.65 Selleck S3133 Sulfamethazine 278.084 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 ASWVTGNCAZCNNR-UHFFFAOYSA-N 5327 BRD-K31682896-001-26-9 sulfamethizole 0 97.3 MedChemEx HY-B0333 Sulfamethizole 270.025 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 VACCAVUAMIDAGB-UHFFFAOYSA-N 5328 BRD-K31682896-001-24-0 sulfamethizole 0 93.08 MicroSource 1500549 SULFAMETHIZOLE 270.025 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 VACCAVUAMIDAGB-UHFFFAOYSA-N 5328 BRD-K31682896-001-23-2 sulfamethizole 0 92.98 Selleck S1957 Sulfamethizole 270.025 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 VACCAVUAMIDAGB-UHFFFAOYSA-N 5328 BRD-K28494619-001-31-9 sulfamethoxazole 0 98.01 MedChemEx HY-B0322 Sulfamethoxazole 253.052 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 JLKIGFTWXXRPMT-UHFFFAOYSA-N 5329 BRD-K28494619-001-28-2 sulfamethoxazole 0 98.94 MicroSource 1500550 SULFAMETHOXAZOLE 253.052 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 JLKIGFTWXXRPMT-UHFFFAOYSA-N 5329 BRD-K28494619-001-27-4 sulfamethoxazole 0 97.49 Selleck S1915 Sulfamethoxazole 253.052 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 JLKIGFTWXXRPMT-UHFFFAOYSA-N 5329 BRD-K00938507-001-18-9 sulfamethoxypyridazine 0 98.28 MedChemEx HY-B1387 Sulfamethoxypyridazine 280.063 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 VLYWMPOKSSWJAL-UHFFFAOYSA-N 5330 BRD-K00938507-001-17-8 sulfamethoxypyridazine 0 97.84 MicroSource 1501156 SULFAMETHOXYPYRIDAZINE 280.063 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 VLYWMPOKSSWJAL-UHFFFAOYSA-N 5330 BRD-K00938507-001-16-0 sulfamethoxypyridazine 0 97.58 Selleck S4250 Sulfamethoxypyridazine 280.063 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 VLYWMPOKSSWJAL-UHFFFAOYSA-N 5330 BRD-K17205817-001-08-9 sulfametopyrazine 0 98.18 MedChemEx HY-A0130 Sulfalene 280.063 COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 KXRZBTAEDBELFD-UHFFFAOYSA-N 9047 BRD-K17205817-001-06-1 sulfametopyrazine 0 96.63 Enamine Z277559098 280.063 COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 KXRZBTAEDBELFD-UHFFFAOYSA-N 9047 BRD-K14116214-001-12-9 sulfamonomethoxine 0 90.72 MedChemEx HY-B0946 Sulfamonomethoxine 280.063 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 WMPXPUYPYQKQCX-UHFFFAOYSA-N 5332 BRD-K14116214-001-09-6 sulfamonomethoxine 0 97.68 MicroSource 1501147 SULFAMONOMETHOXINE 280.063 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 WMPXPUYPYQKQCX-UHFFFAOYSA-N 5332 BRD-K19742012-001-02-3 sulfamoxole 0 70.9 Sigma MFCD00005303 "4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide" 267.068 Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C CYFLXLSBHQBMFT-UHFFFAOYSA-N 12894 BRD-K19742012-001-01-5 sulfamoxole 0 66.74 SantaCruz sc-236952 267.068 Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C CYFLXLSBHQBMFT-UHFFFAOYSA-N 12894 BRD-K02594908-001-16-4 sulfanilamide 0 100 MicroSource 1500646 SULFANILAMIDE 172.031 Nc1ccc(cc1)S(N)(=O)=O FDDDEECHVMSUSB-UHFFFAOYSA-N 5333 BRD-K02594908-001-15-6 sulfanilamide 0 97.61 Selleck S1685 Sulfanilamide 172.031 Nc1ccc(cc1)S(N)(=O)=O FDDDEECHVMSUSB-UHFFFAOYSA-N 5333 BRD-K04254814-001-01-8 sulfanilate-zinc 0 0 MicroSource 1503301 SULFANILATE ZINC 407.943 Nc1ccc(cc1)S(=O)(=O)O[Zn]OS(=O)(=O)c1ccc(N)cc1 RIUORJCWAHCMSA-UHFFFAOYSA-L 64741 BRD-M62362637-001-02-9 BRD-K76845197-001-05-4 sulfanitran 0 78.09 MicroSource 1503339 SULFANITRAN 335.058 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O GWBPFRGXNGPPMF-UHFFFAOYSA-N 5334 BRD-K76845197-001-07-9 sulfanitran 0 93.2 MedChemEx HY-B0947 Sulfanitran 335.058 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O GWBPFRGXNGPPMF-UHFFFAOYSA-N 5334 BRD-K10671814-001-17-9 sulfaphenazole 0 94.59 MedChemEx HY-B1218 Sulfaphenazole 314.084 Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 QWCJHSGMANYXCW-UHFFFAOYSA-N 5335 BRD-K10671814-001-14-8 sulfaphenazole 0 95.81 MicroSource 1501143 SULFAPHENAZOLE 314.084 Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 QWCJHSGMANYXCW-UHFFFAOYSA-N 5335 BRD-K41406082-001-17-9 sulfapyridine 0 91.28 MedChemEx HY-B0212 Sulfapyridine 249.057 Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 GECHUMIMRBOMGK-UHFFFAOYSA-N 5336 BRD-K41406082-001-15-4 sulfapyridine 0 95.98 Selleck S1617 Sulfapyridine 249.057 Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 GECHUMIMRBOMGK-UHFFFAOYSA-N 5336 BRD-K41406082-001-16-2 sulfapyridine 0 98.64 MicroSource 1500551 SULFAPYRIDINE 249.057 Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 GECHUMIMRBOMGK-UHFFFAOYSA-N 5336 BRD-K71133585-236-14-4 sulfaquinoxaline 0 92.12 MicroSource 1501145 SULFAQUINOXALINE SODIUM 300.068 Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1 NHZLNPMOSADWGC-UHFFFAOYSA-N 5338 BRD-K10670311-001-17-1 sulfasalazine 0 90.02 Tocris 4935 Sulfasalazine 398.068 OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 NCEXYHBECQHGNR-QZQOTICOSA-N BRD-K10670311-001-15-5 sulfasalazine 0 97.78 MicroSource 1500552 SULFASALAZINE 398.068 OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 NCEXYHBECQHGNR-QZQOTICOSA-N BRD-K10670311-001-14-8 sulfasalazine 0 93.5 Selleck S1576 Sulfasalazine 398.068 OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 NCEXYHBECQHGNR-QZQOTICOSA-N BRD-K14705039-236-19-9 sulfathiazole 0 97.91 MedChemEx HY-B0507A Sulfathiazole (sodium) 255.014 Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 JNMRHUJNCSQMMB-UHFFFAOYSA-N 5340 BRD-K14705039-001-16-4 sulfathiazole 0 98.28 MicroSource 1500553 SULFATHIAZOLE 255.014 Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 JNMRHUJNCSQMMB-UHFFFAOYSA-N 5340 BRD-K14705039-001-15-6 sulfathiazole 0 95.73 Selleck S3116 Sulfathiazole 255.014 Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 JNMRHUJNCSQMMB-UHFFFAOYSA-N 5340 BRD-K00003125-001-01-9 sulfatinib 0 95.61 MedChemEx HY-12297 Sulfatinib 480.194 CN(C)CCNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1 TTZSNFLLYPYKIL-UHFFFAOYSA-N 52920501 BRD-K00004525-001-01-9 sulfinpyrazone 0 96.76 Sigma MFCD00057279 "(+/-)-Sulfinpyrazone , min. 99 %" 404.119 "O=C1C(CC[S@](=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1 |&1:5,r|" MBGGBVCUIVRRBF-LJAQVGFWSA-N 25273605 BRD-K52416806-001-05-9 sulfisomidin 0 89.68 MedChemEx HY-B1784 Sulfisomidin 278.084 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 YZMCKZRAOLZXAZ-UHFFFAOYSA-N 5343 BRD-K84810336-001-01-9 sulfisoxazole-acetyl 0 56.69 MicroSource 1505461 SULFISOXAZOLE ACETYL 309.078 CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1 JFNWFXVFBDDWCX-UHFFFAOYSA-N 6662 BRD-K05009775-001-02-0 BRD-A58955223-001-03-8 sulforaphane 0 95.09 EMDBio 574215-25MG "D,L-Sulforaphane" 177.028 C[S@@](=O)CCCCN=C=S |r| SUVMJBTUFCVSAD-SNVBAGLBSA-N 9577379 BRD-K01827279-001-20-9 sulindac 0 96.44 MedChemEx HY-B0008 Sulindac 356.088 "CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@@](C)=O |r,c:1|" MLKXDPUZXIRXEP-LQVWSKNFSA-N 16046677 BRD-K01827279-001-11-9 sulindac 0 81.47 Tocris 1707 Sulindac 356.088 "CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@@](C)=O |r,c:1|" MLKXDPUZXIRXEP-LQVWSKNFSA-N 16046677 BRD-K01827279-001-10-9 sulindac 0 75.39 Selleck S2007 Sulindac 356.088 "CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@@](C)=O |r,c:1|" MLKXDPUZXIRXEP-LQVWSKNFSA-N 16046677 BRD-K01827279-001-13-9 sulindac 0 95.9 Selleck S2007 Sulindac (Clinoril) 356.088 "CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@@](C)=O |r,c:1|" MLKXDPUZXIRXEP-LQVWSKNFSA-N 16046677 BRD-K01827279-001-12-9 sulindac 0 67.11 MicroSource 1500556 SULINDAC 356.088 "CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@@](C)=O |r,c:1|" MLKXDPUZXIRXEP-LQVWSKNFSA-N 16046677 BRD-K38602774-001-03-2 sulisobenzone 0 98.83 MicroSource 1505462 SULISOBENZONE 308.035 COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c1ccccc1 CXVGEDCSTKKODG-UHFFFAOYSA-N 19988 BRD-K59265707-001-01-8 BRD-K38602774-002-01-4 sulisobenzone 0 97.55 ChemBridge 5304975 308.035 COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c1ccccc1 CXVGEDCSTKKODG-UHFFFAOYSA-N 19988 BRD-K01824719-001-08-9 sulmazole 0 97.52 SantaCruz sc-236956 Sulmazole 287.073 COc1cc(ccc1-c1nc2ncccc2[nH]1)[S@@](C)=O |r| XMFCOYRWYYXZMY-HXUWFJFHSA-N 11859211 BRD-K01824719-001-07-9 sulmazole 0 98.4 Prestwick Prestw-641 Sulmazole 287.073 COc1cc(ccc1-c1nc2ncccc2[nH]1)[S@@](C)=O |r| XMFCOYRWYYXZMY-HXUWFJFHSA-N 11859211 BRD-K29570907-001-07-3 sulmetozine 0 96.89 Vitas-M STK877639 "4-(3,4,5-trimethoxybenzothioyl)morpholine" 297.103 COc1cc(cc(OC)c1OC)C(=S)N1CCOCC1 MVOUIYUWRXPNKD-UHFFFAOYSA-N 65790 BRD-K42635745-001-26-9 suloctidil 0 79.62 MedChemEx HY-B1237 Suloctidil 337.244 "CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 |&1:9,11|" BFCDFTHTSVTWOG-YLJYHZDGSA-N 657255 BRD-K00004713-001-01-9 sulopenem 0 87.61 Sigma PZ0042 "(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1RS,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" 349.011 "C[C@@H](O)[C@@H]1[C@H]2SC(S[C@H]3CC[S@@](=O)C3)=C(N2C1=O)C(O)=O |&1:11,c:14|" FLSUCZWOEMTFAQ-PRBGKLEPSA-N 9950244 BRD-K71125014-001-31-9 sulphadimethoxine 0 99.08 MedChemEx HY-B0337 Sulfadimethoxine 310.074 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZZORFUFYDOWNEF-UHFFFAOYSA-N 5323 BRD-K71125014-001-26-3 sulphadimethoxine 0 96.49 Selleck S1962 Sulphadimethoxine 310.074 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZZORFUFYDOWNEF-UHFFFAOYSA-N 5323 BRD-K71125014-001-27-1 sulphadimethoxine 0 97.65 MicroSource 1501144 SULFADIMETHOXINE 310.074 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZZORFUFYDOWNEF-UHFFFAOYSA-N 5323 BRD-A55272860-001-16-1 sulpiride 0 98.91 Tocris 894 (RS)-(+/-)-Sulpiride 341.141 "CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |&1:6,r|" BGRJTUBHPOOWDU-LLVKDONJSA-N 643497 BRD-A55272860-001-15-3 sulpiride 0 98.55 MicroSource 1501150 SULPIRIDE 341.141 "CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |&1:6,r|" BGRJTUBHPOOWDU-LLVKDONJSA-N 643497 BRD-A10715913-001-04-6 BRD-A55272860-001-18-9 sulpiride 0 97.3 Tocris 894 (RS)-(+/-)-Sulpiride 341.141 "CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |&1:6,r|" BGRJTUBHPOOWDU-LLVKDONJSA-N 643497 BRD-A55272860-001-14-6 sulpiride 0 97.41 Tocris 894 (RS)-(?)-Sulpiride 341.141 "CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |&1:6,r|" BGRJTUBHPOOWDU-LLVKDONJSA-N 643497 BRD-K00004694-001-01-9 sultamicillin 0 81.3 Bosche S0258 Sultamicillin 594.145 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2[C@@H](CC2=O)S(=O)(=O)C1(C)C OPYGFNJSCUDTBT-PMLPCWDUSA-N 444022 BRD-K00003488-001-01-9 sultiame 0 92.35 MedChemEx HY-108316 Sultiame 290.039 NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O HMHVCUVYZFYAJI-UHFFFAOYSA-N 5356 BRD-K00003312-003-01-9 sultopride 0 89.99 MedChemEx HY-42849A Sultopride hydrochloride 354.161 "CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC |&1:6,r|" UNRHXEPDKXPRTM-ZDUSSCGKSA-N 29010876 BRD-K30485548-050-01-6 sumanirole 0 82.4 Sigma MFCD09832637 "(2Z)-2-butenedioic acid compound with (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (1:1)" 203.106 CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 RKZSNTNMEFVBDT-MRVPVSSYSA-N 9818479 BRD-K50938287-001-09-0 sumatriptan 0 54.73 MicroSource 1505372 SUMATRIPTAN 295.135 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 KQKPFRSPSRPDEB-UHFFFAOYSA-N 5358 BRD-K50938287-036-16-1 sumatriptan 0 95.23 Tocris 3586 Sumatriptan succinate 295.135 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 KQKPFRSPSRPDEB-UHFFFAOYSA-N 5358 BRD-K50938287-036-12-0 sumatriptan 0 90.11 Selleck S1432 Sumatriptan Succinate 295.135 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 KQKPFRSPSRPDEB-UHFFFAOYSA-N 5358 BRD-K50938287-036-13-8 sumatriptan 0 95.83 Tocris 3586 Sumatriptan succinate 295.135 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 KQKPFRSPSRPDEB-UHFFFAOYSA-N 5358 BRD-K71250460-001-02-9 SUN-11602 0 90.13 Tocris 4826 SUN 11602 451.295 CN(C1CCN(Cc2ccc(cc2)C(N)=O)CC1)C(=O)CNc1c(C)c(C)c(N)c(C)c1C KCODNOOPOPTZMO-UHFFFAOYSA-N 22245705 BRD-K71250460-001-01-1 SUN-11602 0 49.28 Tocris 4826 SUN 11602 451.295 CN(C1CCN(Cc2ccc(cc2)C(N)=O)CC1)C(=O)CNc1c(C)c(C)c(N)c(C)c1C KCODNOOPOPTZMO-UHFFFAOYSA-N 22245705 BRD-K36274133-001-02-0 SUN-B-8155 0 12.93 Tocris 2550 SUN-B 8155 273.111 C\C(=N/c1ccccc1N)c1c(C)cc(=O)n(O)c1O SGJLINMLDNLWOS-CXUHLZMHSA-N BRD-K36274133-001-01-2 SUN-B-8155 0 52.27 Tocris 2550 SUN-B 8155 273.111 C\C(=N/c1ccccc1N)c1c(C)cc(=O)n(O)c1O SGJLINMLDNLWOS-CXUHLZMHSA-N BRD-K36274133-001-03-9 SUN-B-8155 0 70.44 Tocris 2550 SUN-B 8155 273.111 C\C(=N/c1ccccc1N)c1c(C)cc(=O)n(O)c1O SGJLINMLDNLWOS-CXUHLZMHSA-N BRD-K42828737-001-03-3 sunitinib 0 94.01 MedChemEx HY-10255A Sunitinib 398.212 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C WINHZLLDWRZWRT-ATVHPVEESA-N 5329102 BRD-K42828737-044-09-0 sunitinib 0 88.53 Selleck S1042 Sunitinib Malate 398.212 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C WINHZLLDWRZWRT-ATVHPVEESA-N 5329102 BRD-K42828737-044-10-8 sunitinib 0 89.15 Selleck S1042 Sunitinib Malate (Sutent) 398.212 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C WINHZLLDWRZWRT-ATVHPVEESA-N 5329102 BRD-K42828737-044-12-4 sunitinib 0 84.41 Tocris 3768 Sunitinib malate 398.212 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C WINHZLLDWRZWRT-ATVHPVEESA-N 5329102 BRD-A98427211-075-06-1 suplatast 0 32.98 MedChemEx HY-17002 Suplatast (Tosilate) 328.158 CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 |&1:4| DYZJXZOQQRXDLE-CQSZACIVSA-O 9957601 BRD-A98427211-075-03-8 suplatast 0 32.86 Tocris 3543 Suplatast tosylate 328.158 CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 |&1:4| DYZJXZOQQRXDLE-CQSZACIVSA-O 9957601 BRD-A98427211-075-04-6 suplatast 0 33.7 Selleck S2015 Suplatast tosylate 328.158 CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 |&1:4| DYZJXZOQQRXDLE-CQSZACIVSA-O 9957601 BRD-A98427211-075-05-3 suplatast 0 36.27 MedChemEx HY-17002 Suplatast (Tosilate) 328.158 CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 |&1:4| DYZJXZOQQRXDLE-CQSZACIVSA-O 9957601 BRD-A98427211-075-02-0 suplatast 0 36.74 Selleck S2015 Suplatast Tosylate 328.158 CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 |&1:4| DYZJXZOQQRXDLE-CQSZACIVSA-O 9957601 BRD-A34006693-001-15-4 suprofen 0 97.91 MicroSource 1501161 SUPROFEN 260.051 "C[C@@H](C(O)=O)c1ccc(cc1)C(=O)c1cccs1 |&1:1,r|" MDKGKXOCJGEUJW-SECBINFHSA-N 688581 BRD-A34006693-001-14-7 suprofen 0 94.52 Selleck S1761 Suprofen 260.051 "C[C@@H](C(O)=O)c1ccc(cc1)C(=O)c1cccs1 |&1:1,r|" MDKGKXOCJGEUJW-SECBINFHSA-N 688581 BRD-A34006693-001-16-9 suprofen 0 89.97 MedChemEx HY-B0270 Suprofen 260.051 "C[C@@H](C(O)=O)c1ccc(cc1)C(=O)c1cccs1 |&1:1,r|" MDKGKXOCJGEUJW-SECBINFHSA-N 688581 BRD-K70327167-348-13-4 suramin 0 96.4 MicroSource 1502032 SURAMIN HEXASODIUM 1296.047 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O FIAFUQMPZJWCLV-UHFFFAOYSA-N 5361 BRD-K70327167-348-12-6 suramin 0 0 Tocris 1472 Suramin hexasodium salt 1296.047 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O FIAFUQMPZJWCLV-UHFFFAOYSA-N 5361 BRD-K98557884-001-01-6 suritozole 0 91.89 Enamine Z2306534679 "5-(3-fluorophenyl)-2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione" 223.058 Cn1nc(-c2cccc(F)c2)n(C)c1=S IWDUZEHNLHFBRZ-UHFFFAOYSA-N 25431 BRD-K86670086-001-02-5 sutezolid 0 91.81 MedChemEx HY-10392 Sutezolid 353.121 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCSCC2)c(F)c1 FNDDDNOJWPQCBZ-ZDUSSCGKSA-N 465951 BRD-K78815826-001-15-9 suxibuzone 0 97.28 MedChemEx HY-B1079 Suxibuzone 438.179 CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 ONWXNHPOAGOMTG-UHFFFAOYSA-N 5362 BRD-K78815826-001-13-8 suxibuzone 0 96.64 Selleck S4367 Suxibuzone 438.179 CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 ONWXNHPOAGOMTG-UHFFFAOYSA-N 5362 BRD-K78815826-001-14-6 suxibuzone 0 97.83 MicroSource 1501157 SUXIBUZONE 438.179 CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 ONWXNHPOAGOMTG-UHFFFAOYSA-N 5362 BRD-K15170068-001-03-2 swainsonine 0 97.53 Enzo S112 Swainsonine 173.105 O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O FXUAIOOAOAVCGD-WCTZXXKLSA-N 51683 BRD-K45385835-001-03-2 SX-011 0 97.88 Tocris 3639 "2-(6-chloro-5-{[4-(4-fluorobenzyl)-1-piperidinyl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide" 483.172 CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 GUTYHDCSDBBMGW-UHFFFAOYSA-N 9935015 BRD-K45385835-001-02-4 SX-011 0 83.67 Tocris 3639 SX 011 483.172 CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 GUTYHDCSDBBMGW-UHFFFAOYSA-N 9935015 BRD-K00004665-001-01-9 SY-640 0 94.75 Enamine EN300-1699968 "N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-methylacetamide" 207.09 CN(Cc1ccc2OCOc2c1)C(C)=O JIWDGIYBLGMPRV-UHFFFAOYSA-N 9837165 BRD-K72106461-001-02-1 SYM-2081 1 0 Enzo AC428 SYM 2081 161.069 C[C@H](C[C@H](N)C(O)=O)C(O)=O KRKRAOXTGDJWNI-DMTCNVIQSA-N 95883 BRD-K72106461-001-03-9 SYM-2081 1 70.5 Tocris 903 SYM 2081 161.069 C[C@H](C[C@H](N)C(O)=O)C(O)=O KRKRAOXTGDJWNI-DMTCNVIQSA-N 95883 BRD-A77218119-001-04-3 SYM-2206 0 95.25 Tocris 961 "8-(4-aminophenyl)-5-methyl-N-propyl[1,3]dioxolo[4,5-g]phthalazine-6(5H)-carboxamide" 366.169 "CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2[C@@H]1C |r,t:7|" OFUDZKKOKPGXOH-LBPRGKRZSA-N 92209239 BRD-A77218119-001-03-5 SYM-2206 0 84.15 Tocris 961 SYM 2206 366.169 "CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2[C@@H]1C |r,t:7|" OFUDZKKOKPGXOH-LBPRGKRZSA-N 92209239 BRD-K33642804-001-01-1 symclosene 0 0 MicroSource 1506189 SYMCLOSENE 230.901 Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O YRIZYWQGELRKNT-UHFFFAOYSA-N 6909 BRD-K33642804-001-02-9 symclosene 0 0 Sigma 176125 Trichloroisocyanuric acid 230.901 Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O YRIZYWQGELRKNT-UHFFFAOYSA-N 6909 BRD-K01825585-003-03-9 synephrine 0 100 Selleck S2438 Synephrine HCl 203.071 CNC[C@@H](O)c1ccc(O)cc1 |&1:3| YRCWQPVGYLYSOX-SECBINFHSA-N 667452 BRD-K01825585-003-02-9 synephrine 0 0 Selleck S2438 Synephrine HCl 203.071 CNC[C@@H](O)c1ccc(O)cc1 |&1:3| YRCWQPVGYLYSOX-SECBINFHSA-N 667452 BRD-K31843556-001-05-8 T-0070907 0 95.18 Tocris 2301 T 0070907 277.025 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1 FRPJSHKMZHWJBE-UHFFFAOYSA-N 2777391 BRD-K31843556-001-04-1 T-0070907 0 98.04 Tocris 2301 T 0070907 277.025 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1 FRPJSHKMZHWJBE-UHFFFAOYSA-N 2777391 BRD-K31843556-001-07-9 T-0070907 0 86.91 Tocris 2301 T 0070907 277.025 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1 FRPJSHKMZHWJBE-UHFFFAOYSA-N 2777391 BRD-K31843556-001-03-3 T-0070907 0 96.68 Selleck S2871 T0070907 277.025 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1 FRPJSHKMZHWJBE-UHFFFAOYSA-N 2777391 BRD-K63516691-003-03-8 T-0156 0 98.39 Tocris 1676 T 0156 hydrochloride 583.207 COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1 JEMJAABFSYOLAP-UHFFFAOYSA-N 5368 BRD-K63516691-003-04-9 T-0156 0 97.81 Tocris 1676 T 0156 hydrochloride 583.207 COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1 JEMJAABFSYOLAP-UHFFFAOYSA-N 5368 BRD-K63516691-003-02-0 T-0156 0 93.62 Tocris 1676 T 0156 hydrochloride 583.207 COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1 JEMJAABFSYOLAP-UHFFFAOYSA-N 5368 BRD-K16605796-001-01-9 T-025 0 Broad Institute T-025 382.165 CNc1nc(NCc2ncccn2)c2c(c[nH]c2n1)-c1ccc2ncccc2c1 PMWVYONICYRLNY-UHFFFAOYSA-N 133082038 BRD-K23383398-001-10-7 T-0901317 0 92.89 Tocris 2373 T 0901317 481.039 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F SGIWFELWJPNFDH-UHFFFAOYSA-N 447912 BRD-K23383398-001-09-9 T-0901317 0 96.75 Tocris 2373 T 0901317 481.039 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F SGIWFELWJPNFDH-UHFFFAOYSA-N 447912 BRD-K23383398-001-08-1 T-0901317 0 96.1 Selleck S7076 T0901317 481.039 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F SGIWFELWJPNFDH-UHFFFAOYSA-N 447912 BRD-K23383398-001-11-9 T-0901317 0 95.81 Tocris 2373 T 0901317 481.039 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F SGIWFELWJPNFDH-UHFFFAOYSA-N 447912 BRD-K00004631-001-01-9 T-1095 0 89.4 AMS M15305 T-1095 516.163 COC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@@H](O)[C@@H]1O BXNCIERBDJYIQT-PRDVQWLOSA-N 6918410 BRD-K84925803-001-01-9 T-5224 0 92.03 MedChemEx HY-12270 T-5224 517.174 OC(=O)CCc1cc(ccc1OCc1ccc2c(c1)o[nH]c2=O)C(=O)c1ccc(OC2CCCC2)cc1O DALCQQSLNPLQFZ-UHFFFAOYSA-N 23626877 BRD-K84925803-001-02-9 T-5224 0 95.74 MedChemEx HY-12270 T-5224 517.174 OC(=O)CCc1cc(ccc1OCc1ccc2c(c1)o[nH]c2=O)C(=O)c1ccc(OC2CCCC2)cc1O DALCQQSLNPLQFZ-UHFFFAOYSA-N 23626877 BRD-K83492904-001-03-9 T-5601640 0 98 Tocris 5269 T 5601640 389.099 Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F XVOKFRPKSAWELK-UHFFFAOYSA-N 9438169 BRD-K83492904-001-01-9 T-5601640 0 99.12 Tocris 5269 T 5601640 389.099 Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F XVOKFRPKSAWELK-UHFFFAOYSA-N 9438169 BRD-K09001147-001-02-4 T-62 0 63.41 Enamine Z57052872 "(2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-chlorophenyl)methanone" 291.048 Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 OTZVBZFYMFTYKH-UHFFFAOYSA-N 855908 BRD-K09001147-001-01-6 T-62 0 42.13 Enamine Z57052872 291.048 Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 OTZVBZFYMFTYKH-UHFFFAOYSA-N 855908 BRD-K00003402-001-01-9 T-807 0 85.96 MedChemEx HY-101184 T807 263.086 Fc1ccc(cn1)-c1ccc2c(c1)[nH]c1ccncc21 GETAAWDSFUCLBS-UHFFFAOYSA-N 71059746 BRD-K79856806-001-01-0 TA-01 0 96.68 MedChemEx HY-100114 TA-01 351.098 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1c(F)cccc1F TWPJJJZCYVFUOA-UHFFFAOYSA-N 91691129 BRD-K53600683-051-01-5 tabimorelin 0 92.38 Tocris 2308 Tabimorelin hemifumarate 528.31 CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)\C=C\CC(C)(C)N WURGZWOTGMLDJP-ZCYANPAGSA-N 9810101 BRD-M26279695-051-02-4 BRD-K53600683-051-02-9 tabimorelin 0 96.19 Tocris 2308 Tabimorelin hemifumarate 528.31 CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)\C=C\CC(C)(C)N WURGZWOTGMLDJP-ZCYANPAGSA-N 9810101 BRD-K73237276-001-02-9 tacalcitol 0 93.65 MedChemEx HY-32337 Tacalcitol 416.329 CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C BJYLYJCXYAMOFT-RSFVBTMBSA-N 5283734 BRD-K73237276-001-01-0 tacalcitol 0 93.56 MedChemEx HY-32337 Tacalcitol 416.329 CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C BJYLYJCXYAMOFT-RSFVBTMBSA-N 5283734 BRD-K52313696-001-14-9 tacedinaline 0 91.77 Tocris 2952 CI 994 269.116 CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N VAZAPHZUAVEOMC-UHFFFAOYSA-N 2746 BRD-K52313696-001-12-3 tacedinaline 0 97.19 Selleck S2818 CI994 (Tacedinaline) 269.116 CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N VAZAPHZUAVEOMC-UHFFFAOYSA-N 2746 BRD-K81473089-003-24-6 tacrine 0 98.02 Selleck S4357 Tacrine HCl 198.116 Nc1c2CCCCc2nc2ccccc12 YLJREFDVOIBQDA-UHFFFAOYSA-N 1935 BRD-K81473089-003-26-1 tacrine 0 99.35 MicroSource 2300104 TACRINE HYDROCHLORIDE 198.116 Nc1c2CCCCc2nc2ccccc12 YLJREFDVOIBQDA-UHFFFAOYSA-N 1935 BRD-K81473089-003-27-9 tacrine 0 94.62 Tocris 965 Tacrine hydrochloride 198.116 Nc1c2CCCCc2nc2ccccc12 YLJREFDVOIBQDA-UHFFFAOYSA-N 1935 BRD-K81473089-003-25-3 tacrine 0 97.59 Tocris 965 Tacrine hydrochloride 198.116 Nc1c2CCCCc2nc2ccccc12 YLJREFDVOIBQDA-UHFFFAOYSA-N 1935 BRD-K69608737-001-08-6 tacrolimus 0 97.24 MedChemEx HY-13756 tacrolimus 803.482 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:45| QJJXYPPXXYFBGM-LFZNUXCKSA-N 445643 BRD-K69608737-001-10-2 tacrolimus 0 95.5 MicroSource 1503968 TACROLIMUS 803.482 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:45| QJJXYPPXXYFBGM-LFZNUXCKSA-N 445643 BRD-A96754982-001-01-4 BRD-K69608737-001-09-4 tacrolimus 0 92.53 Selleck S5003 Tacrolimus (FK506) 803.482 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:45| QJJXYPPXXYFBGM-LFZNUXCKSA-N 445643 BRD-K54509797-001-01-5 BRD-K93645900-001-12-1 tadalafil 0 95.58 MicroSource 1505639 TADALAFIL 389.138 CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O WOXKDUGGOYFFRN-IIBYNOLFSA-N 110635 BRD-K93645900-001-14-9 tadalafil 0 98.19 Tocris 6311 Tadalafil 389.138 CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O WOXKDUGGOYFFRN-IIBYNOLFSA-N 110635 BRD-K93645900-001-11-3 tadalafil 0 98.74 Selleck S1512 Tadalafil 389.138 CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O WOXKDUGGOYFFRN-IIBYNOLFSA-N 110635 BRD-K23728141-001-01-2 tafamidis-meglumine 0 99.69 MedChemEx HY-14852 Tafamidis 306.98 OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 TXEIIPDJKFWEEC-UHFFFAOYSA-N 11001318 BRD-K23728141-001-02-9 tafamidis-meglumine 0 97.53 MedChemEx HY-14852 Tafamidis 306.98 OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 TXEIIPDJKFWEEC-UHFFFAOYSA-N 11001318 BRD-A78965079-036-01-8 tafenoquine 0 82.25 Sigma SML0396 "N4-(2,6-dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)quinolin-8-yl)pentane-1,4-diamine succinate" 463.208 COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[C@@H](C)CCCN)c2n1 |&1:25| LBHLFPGPEGDCJG-HNNXBMFYSA-N 76969188 BRD-K65059905-001-02-9 tafluprost 0 95.14 MedChemEx HY-B0600 Tafluprost 452.237 CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COc1ccccc1 WSNODXPBBALQOF-VEJSHDCNSA-N 9868491 BRD-K18320600-001-01-9 tagatose 0 0 Sigma MFCD00134449 D-tagatose 180.063 OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO BJHIKXHVCXFQLS-PQLUHFTBSA-N 92092 BRD-K57155378-001-01-1 TAK-063 0 96.14 MedChemEx HY-12472 TAK-063 428.14 COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)-n1cccn1 KVHRYLNQDWXAGI-UHFFFAOYSA-N 46848915 BRD-K38793468-001-01-4 TAK-220 0 96.9 MedChemEx HY-19974 TAK-220 552.287 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1 ASSJTMUEFHUKMJ-UHFFFAOYSA-N 5275766 BRD-K00003376-001-01-9 TAK-243 0 95.52 MedChemEx HY-100487 TAK-243 519.086 NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O KJDAGXLMHXUAGV-DGWLBADLSA-N 71715374 BRD-K80343549-001-03-9 TAK-285 0 87.32 MedChemEx HY-15196 TAK-285 547.16 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 ZYQXEVJIFYIBHZ-UHFFFAOYSA-N 11620908 BRD-K80343549-001-02-6 TAK-285 0 95.38 Selleck S2784 TAK-285 547.16 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 ZYQXEVJIFYIBHZ-UHFFFAOYSA-N 11620908 BRD-K67262033-001-01-0 TAK-593 0 94.1 MedChemEx HY-15506 TAK-593 445.186 Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 DZFZXPPHBWCXPQ-UHFFFAOYSA-N 24767976 BRD-K31866293-001-01-6 TAK-632 0 97.83 Selleck S7291 TAK-632 554.104 Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F OJFKUJDRGJSAQB-UHFFFAOYSA-N 46209401 BRD-K71500795-003-02-9 TAK-659 0 95.02 MedChemEx HY-100867A TAK-659 (hydrochloride) 344.176 Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 MJHOMTRKVMKCNE-NWDGAFQWSA-N 53252276 BRD-K52751261-001-08-7 TAK-715 0 98.88 Tocris 4254 TAK 715 399.141 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1 HEKAIDKUDLCBRU-UHFFFAOYSA-N 9952773 BRD-K03865741-001-01-0 BRD-K52751261-001-06-1 TAK-715 0 96.73 Selleck S2928 TAK-715 399.141 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1 HEKAIDKUDLCBRU-UHFFFAOYSA-N 9952773 BRD-K52751261-001-10-9 TAK-715 0 97.89 Tocris 4254 TAK 715 399.141 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1 HEKAIDKUDLCBRU-UHFFFAOYSA-N 9952773 BRD-K26667523-001-02-5 TAK-733 0 88.03 Selleck S2617 TAK-733 504.011 Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O RCLQNICOARASSR-SECBINFHSA-N 24963252 BRD-K26667523-001-04-9 TAK-733 0 98.86 MedChemEx HY-13449 TAK-733 504.011 Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O RCLQNICOARASSR-SECBINFHSA-N 24963252 BRD-K26667523-001-03-3 TAK-733 0 91.47 Selleck S2617 TAK-733 504.011 Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O RCLQNICOARASSR-SECBINFHSA-N 24963252 BRD-K00003155-003-01-9 TAK-779 0 98.08 MedChemEx HY-13406 TAK-779 495.301 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| XNHZXMPLVSJQFK-UHFFFAOYSA-O 183790 BRD-K58501140-001-02-9 TAK-875 0 95.84 MedChemEx HY-10480 Fasiglifam 524.187 Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 BZCALJIHZVNMGJ-HSZRJFAPSA-N 24857286 BRD-K58501140-002-01-0 TAK-875 0 97.03 Selleck S2637 TAK-875 524.187 Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 BZCALJIHZVNMGJ-HSZRJFAPSA-N 24857286 BRD-M64443684-002-02-5 BRD-K01683783-001-02-6 TAK-901 0 94.01 Selleck S2718 TAK-901 504.22 CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 WKDACQVEJIVHMZ-UHFFFAOYSA-N 16124208 BRD-K01683783-001-03-9 TAK-901 0 97.57 MedChemEx HY-12201 TAK-901 504.22 CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 WKDACQVEJIVHMZ-UHFFFAOYSA-N 16124208 BRD-K48059512-003-01-0 TAK-960 0 98.58 Tocris 5403 TAK 960 hydrochloride 561.268 COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 GWRSATNRNFYMDI-UHFFFAOYSA-N 53357478 BRD-K48059512-001-01-4 TAK-960 0 97.24 MedChemEx HY-15160 TAK-960 561.268 COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 GWRSATNRNFYMDI-UHFFFAOYSA-N 53357478 BRD-K37419961-066-03-8 talabostat 0 62.26 MedChemEx HY-13233A Talabostat (mesylate) 214.149 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O FKCMADOPPWWGNZ-YUMQZZPRSA-N 6918572 BRD-K37419961-066-02-0 talabostat 0 67.55 MedChemEx HY-13233A Talabostat (mesylate) 214.149 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O FKCMADOPPWWGNZ-YUMQZZPRSA-N 6918572 BRD-K37419961-066-01-2 talabostat 0 55.92 MedChemEx HY-13233A Talabostat (mesylate) 214.149 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O FKCMADOPPWWGNZ-YUMQZZPRSA-N 6918572 BRD-K50498985-001-03-3 taladegib 0 98.77 MedChemEx HY-13242 LY2940680 512.195 CN(C1CCN(CC1)c1nnc(-c2ccnn2C)c2ccccc12)C(=O)c1ccc(F)cc1C(F)(F)F SZBGQDXLNMELTB-UHFFFAOYSA-N 49848070 BRD-K50498985-001-04-9 taladegib 0 99.58 MedChemEx HY-13242 Taladegib 512.195 CN(C1CCN(CC1)c1nnc(-c2ccnn2C)c2ccccc12)C(=O)c1ccc(F)cc1C(F)(F)F SZBGQDXLNMELTB-UHFFFAOYSA-N 49848070 BRD-K80359953-001-01-3 talampanel 0 93 MedChemEx HY-15079 Talampanel 337.143 C[C@@H]1Cc2cc3OCOc3cc2C(=NN1C(C)=O)c1ccc(N)cc1 |c:14| JACAAXNEHGBPOQ-LLVKDONJSA-N 164509 BRD-K80359953-001-02-1 talampanel 0 90.89 Tocris 5032 Talampanel 337.143 C[C@@H]1Cc2cc3OCOc3cc2C(=NN1C(C)=O)c1ccc(N)cc1 |c:14| JACAAXNEHGBPOQ-LLVKDONJSA-N 164509 BRD-K00004965-342-01-9 talaporfin 0 83.11 MedChemEx HY-16477 Talaporfin (sodium) 711.29 CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c4nc(cc1[nH]2)c(C)c4C(O)=O)c(C)c3C=C SIEXFRDYNDREBM-WSUYNKMOSA-N BRD-A95755460-001-02-9 talarozole 0 96.25 MedChemEx HY-14531 Talarozole 377.167 "CCC(CC)[C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 |&1:5,r|" SNFYYXUGUBUECJ-FQEVSTJZSA-N 76958553 BRD-A95755460-001-01-3 talarozole 0 94.65 MedChemEx HY-14531 Talarozole 377.167 "CCC(CC)[C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 |&1:5,r|" SNFYYXUGUBUECJ-FQEVSTJZSA-N 76958553 BRD-K95142244-001-01-5 talazoparib 0 97.61 Selleck S7048 BMN 673 380.12 Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 HWGQMRYQVZSGDQ-HZPDHXFCSA-N 135565082 BRD-K95142244-001-03-9 talazoparib 0 96.38 MedChemEx HY-16106 Talazoparib 380.12 Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 HWGQMRYQVZSGDQ-HZPDHXFCSA-N 135565082 BRD-A94276798-001-01-4 talinolol 0 90.03 Cayman 16116 363.252 "CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 |&1:6,r|" MXFWWQICDIZSOA-QGZVFWFLSA-N 156154 BRD-K75615183-300-04-7 talipexole 0 83.1 MedChemEx HY-A0008 "6-allyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-ylamine dihydrochloride" 209.099 Nc1nc2CCN(CC=C)CCc2s1 DHSSDEDRBUKTQY-UHFFFAOYSA-N 5374 BRD-K75615183-300-05-4 talipexole 0 83.28 MedChemEx HY-A0008 B-HT 920 209.099 Nc1nc2CCN(CC=C)CCc2s1 DHSSDEDRBUKTQY-UHFFFAOYSA-N 5374 BRD-K75615183-300-06-2 talipexole 0 84.52 MedChemEx HY-A0008 B-HT 920 209.099 Nc1nc2CCN(CC=C)CCc2s1 DHSSDEDRBUKTQY-UHFFFAOYSA-N 5374 BRD-K75615183-300-03-9 talipexole 0 77.83 Enzo AC253 B-HT 920 2HCl 209.099 Nc1nc2CCN(CC=C)CCc2s1 DHSSDEDRBUKTQY-UHFFFAOYSA-N 5374 BRD-K17555800-003-02-3 talmapimod 0 97 Tocris 3528 SCIO 469 hydrochloride 512.199 C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C ZMELOYOKMZBMRB-DLBZAZTESA-N 9871074 BRD-K17555800-003-01-5 talmapimod 0 98.07 Tocris 3528 SCIO 469 hydrochloride 512.199 C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C ZMELOYOKMZBMRB-DLBZAZTESA-N 9871074 BRD-K17555800-001-01-9 talmapimod 0 95.77 MedChemEx HY-10406 SCIO-469 512.199 C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C ZMELOYOKMZBMRB-DLBZAZTESA-N 9871074 BRD-K47095176-001-02-9 talnetant 0 97.97 Tocris 4672 SB 223412 382.168 CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 BIAVGWDGIJKWRM-FQEVSTJZSA-N 5311424 BRD-K47095176-001-01-6 talnetant 0 98.57 MedChemEx HY-14552 Talnetant 382.168 CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 BIAVGWDGIJKWRM-FQEVSTJZSA-N 5311424 BRD-A98378129-001-03-0 talniflumate 0 93.24 Tocris 2510 Talniflumate 414.083 "FC(F)(F)c1cccc(Nc2ncccc2C(=O)O[C@H]2OC(=O)c3ccccc23)c1 |&1:19,r|" ANMLJLFWUCQGKZ-HXUWFJFHSA-N 25273599 BRD-A98378129-001-02-2 talniflumate 0 92.13 Tocris 2510 Talniflumate 414.083 "FC(F)(F)c1cccc(Nc2ncccc2C(=O)O[C@H]2OC(=O)c3ccccc23)c1 |&1:19,r|" ANMLJLFWUCQGKZ-HXUWFJFHSA-N 25273599 BRD-A98378129-001-04-9 talniflumate 0 96.4 Tocris 2510 Talniflumate 414.083 "FC(F)(F)c1cccc(Nc2ncccc2C(=O)O[C@H]2OC(=O)c3ccccc23)c1 |&1:19,r|" ANMLJLFWUCQGKZ-HXUWFJFHSA-N 25273599 BRD-A02532772-003-01-7 talopram 0 92.77 Tocris 3145 Talopram hydrochloride 295.194 CNCCC[C@]1(OC(C)(C)c2ccccc12)c1ccccc1 |&1:5| LJBBMCNHIUJBDU-FQEVSTJZSA-N 76958671 BRD-A02532772-003-02-9 talopram 0 96.24 Tocris 3145 Talopram hydrochloride 295.194 CNCCC[C@]1(OC(C)(C)c2ccccc12)c1ccccc1 |&1:5| LJBBMCNHIUJBDU-FQEVSTJZSA-N 76958671 BRD-K00004651-001-01-9 talsaclidine 0 0 Sigma T2452 (3R)-3-(2-propynyloxy)-1-azabicyclo[2.2.2]octane 165.115 C#CCO[C@H]1CN2CCC1CC2 XVFJONKUSLSKSW-JTQLQIEISA-N 71792 BRD-K93869735-001-03-9 taltirelin 0 95.09 MedChemEx HY-B0596 Taltirelin 405.176 CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O LQZAIAZUDWIVPM-SRVKXCTJSA-N 114750 BRD-K93869735-001-01-1 taltirelin 0 86.52 MedChemEx HY-B0596 Taltirelin 405.176 CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O LQZAIAZUDWIVPM-SRVKXCTJSA-N 114750 BRD-K87512222-019-01-7 taltobulin 0 96.83 MedChemEx HY-15584A Taltobulin (trifluoroacetate) 473.325 CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 CNTMOLDWXSVYKD-PSRNMDMQSA-N 6918637 BRD-K87512222-019-02-9 taltobulin 0 89.21 MedChemEx HY-15584A Taltobulin (trifluoroacetate) 473.325 CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 CNTMOLDWXSVYKD-PSRNMDMQSA-N 6918637 BRD-K72231366-001-03-9 TAME 0 94.63 MedChemEx HY-13255 TAME 342.136 COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1 FKMJXALNHKIDOD-LBPRGKRZSA-N 1550286 BRD-K72231366-001-02-3 TAME 0 91.82 Selleck S2225 TAME 342.136 COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1 FKMJXALNHKIDOD-LBPRGKRZSA-N 1550286 BRD-K36627727-001-05-4 tamibarotene 0 97.33 Selleck S4260 Tamibarotene 351.183 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 MUTNCGKQJGXKEM-UHFFFAOYSA-N 108143 BRD-K36627727-001-06-2 tamibarotene 0 99.43 MedChemEx HY-14652 Tamibarotene 351.183 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)" 108143 BRD-K00004682-001-01-9 taminadenant 0 89.55 AMS A232307 "5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine" 305.002 Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 ATFXVNUWQOXRRU-UHFFFAOYSA-N 53466958 BRD-K93754473-048-23-6 tamoxifen 0 97.31 Tocris 999 Tamoxifen citrate 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K93754473-048-27-9 tamoxifen 0 93.7 Tocris 999 Tamoxifen citrate 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K93754473-048-18-6 tamoxifen 0 84.13 Selleck S1972 Tamoxifen Citrate 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K93754473-048-19-4 tamoxifen 0 89.73 Tocris 999 Tamoxifen citrate 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K93754473-048-20-2 tamoxifen 0 92.67 MicroSource 1500557 TAMOXIFEN CITRATE 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K93754473-048-21-0 tamoxifen 0 97.2 Selleck S1972 Tamoxifen Citrate (Nolvadex) 371.225 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 NKANXQFJJICGDU-QPLCGJKRSA-N 2733526 BRD-K74339692-003-03-1 tamsulosin 0 90.72 Tocris 3050 Tamsulosin hydrochloride 408.172 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O DRHKJLXJIQTDTD-OAHLLOKOSA-N 129211 BRD-K74339692-001-01-9 tamsulosin 0 99.03 Enzo DL160 Tamsulosin HCl 408.172 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O DRHKJLXJIQTDTD-OAHLLOKOSA-N 129211 BRD-K99604664-001-02-9 tanaproget 0 98.3 MedChemEx HY-15606 Tanaproget 297.094 Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N PYVFWTPEBMRKSR-UHFFFAOYSA-N 4369524 BRD-K99604664-001-01-1 tanaproget 0 91.62 MedChemEx HY-15606 Tanaproget 297.094 Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N PYVFWTPEBMRKSR-UHFFFAOYSA-N 4369524 BRD-K65904673-003-01-0 tandospirone 0 89.65 Tocris 2854 Tandospirone hydrochloride 383.232 O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 CEIJFEGBUDEYSX-FZDBZEDMSA-N 91273 BRD-K65904673-001-01-4 tandospirone 0 98.71 MedChemEx HY-14558 Tandospirone 383.232 O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 CEIJFEGBUDEYSX-FZDBZEDMSA-N 91273 BRD-K65904673-003-02-9 tandospirone 0 93.23 Tocris 2854 Tandospirone hydrochloride 383.232 O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 CEIJFEGBUDEYSX-FZDBZEDMSA-N 91273 BRD-K89162000-001-12-9 tandutinib 0 97.46 MedChemEx HY-10202 Tandutinib 562.327 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 UXXQOJXBIDBUAC-UHFFFAOYSA-N 3038522 BRD-K89162000-001-07-2 tandutinib 0 90.65 MicroSource 1502277 TANDUTINIB 562.327 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 UXXQOJXBIDBUAC-UHFFFAOYSA-N 3038522 BRD-K89162000-001-06-4 tandutinib 0 94.36 Selleck S1043 Tandutinib (MLN518) 562.327 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 UXXQOJXBIDBUAC-UHFFFAOYSA-N 3038522 BRD-K81473043-001-22-9 tanespimycin 0 43.69 MedChemEx HY-10211 Tanespimycin 585.305 "CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,23,t:15,21,34|" AYUNIORJHRXIBJ-FBDSWQSESA-N 59996479 BRD-K81473043-001-14-6 tanespimycin 0 97.71 Selleck S1141 17-AAG (Tanespimycin) 585.305 "CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,23,t:15,21,34|" AYUNIORJHRXIBJ-FBDSWQSESA-N 59996479 BRD-K81473043-001-23-9 tanespimycin 0 94.67 Tocris 1515 17-AAG 585.305 "CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,23,t:15,21,34|" AYUNIORJHRXIBJ-FBDSWQSESA-N 59996479 BRD-K81473043-001-19-5 tanespimycin 0 78.07 Selleck S1141 17-AAG (Tanespimycin) 585.305 "CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,23,t:15,21,34|" AYUNIORJHRXIBJ-FBDSWQSESA-N 59996479 BRD-K34504123-001-01-6 BRD-K25186396-001-10-9 tangeritin 0 97.77 MedChemEx HY-N0133 Tangeretin 372.121 COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 ULSUXBXHSYSGDT-UHFFFAOYSA-N 68077 BRD-K25186396-001-09-6 tangeritin 0 97.49 Selleck S2363 Tangeretin 372.121 COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 ULSUXBXHSYSGDT-UHFFFAOYSA-N 68077 BRD-K01584643-001-04-9 tannic-acid 0 100 MedChemEx HY-B2136 Tannic acid 1700.173 Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 LRBQNJMCXXYXIU-PPKXGCFTSA-N 16129778 BRD-K34073885-001-10-9 tanshinone-I 0 76.22 MedChemEx HY-N0134 Tanshinone I 276.079 Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 AIGAZQPHXLWMOJ-UHFFFAOYSA-N 114917 BRD-K34073885-001-07-7 tanshinone-I 0 35.27 Selleck S2364 Tanshinone I 276.079 Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 AIGAZQPHXLWMOJ-UHFFFAOYSA-N 114917 BRD-K34073885-001-09-3 tanshinone-I 0 87.49 Selleck S2364 Tanshinone I 276.079 Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 AIGAZQPHXLWMOJ-UHFFFAOYSA-N 114917 BRD-K00141480-001-17-9 tanshinone-IIA 0 90.3 Tocris 4426 Tanshinone IIA 294.126 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 HYXITZLLTYIPOF-UHFFFAOYSA-N 164676 BRD-K00141480-001-15-4 tanshinone-IIA 0 78.69 Selleck S2365 Tanshinone IIA (Tanshinone B) 294.126 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 HYXITZLLTYIPOF-UHFFFAOYSA-N 164676 BRD-K00141480-001-14-7 tanshinone-IIA 0 55.05 Selleck S2365 Tanshinone IIA 294.126 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 HYXITZLLTYIPOF-UHFFFAOYSA-N 164676 BRD-K00003498-001-01-9 tapinarof 0 97.56 MedChemEx HY-109044 Tapinarof 254.131 CC(C)c1c(O)cc(\C=C\c2ccccc2)cc1O ZISJNXNHJRQYJO-CMDGGOBGSA-N 6439522 BRD-K88854110-001-01-5 taprenepag 0 96.08 MedChemEx HY-14899 Taprenepag 478.131 OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 MFFBXYNKZHTCEY-UHFFFAOYSA-N 18376177 BRD-K00003568-001-01-9 tarafenacin 0 96.05 MedChemEx HY-14825A Tarafenacin (D-tartrate) 408.146 Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1C[N@@]2CC[C@H]1CC2 UXZDMXYRRQJIBJ-IBGZPJMESA-N 25147683 BRD-K35169477-001-02-9 taranabant 0 95.82 MedChemEx HY-10013 Taranabant 515.159 C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N QLYKJCMUNUWAGO-GAJHUEQPSA-N 11226090 BRD-K35169477-001-01-9 taranabant 0 98.67 MedChemEx HY-10013 Taranabant 515.159 C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N QLYKJCMUNUWAGO-GAJHUEQPSA-N 11226090 BRD-K22227508-015-05-4 targinine 0 100 Cayman 10005031 188.127 CNC(=N)NCCC[C@H](N)C(O)=O NTNWOCRCBQPEKQ-YFKPBYRVSA-N 46906075 BRD-K09353376-001-02-1 tariquidar 0 54.59 Selleck S8028 Tariquidar 646.279 COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC LGGHDPFKSSRQNS-UHFFFAOYSA-N 148201 BRD-K09353376-001-03-9 tariquidar 0 95.08 Selleck S8028 Tariquidar 646.279 COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC LGGHDPFKSSRQNS-UHFFFAOYSA-N 148201 BRD-K09353376-001-05-4 tariquidar 0 91.13 MedChemEx HY-10550 Tariquidar 646.279 COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC "InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)" 148201 BRD-K36474365-001-09-9 tartaric-acid 1 100 MedChemEx HY-Y0293 "(2R,3R)-2,3-Dihydroxysuccinic acid" 150.016 O[C@H]([C@@H](O)C(O)=O)C(O)=O FEWJPZIEWOKRBE-JCYAYHJZSA-N 444305 BRD-K36474365-001-06-6 tartaric-acid 1 0 MicroSource 1300044 TARTARIC ACID (L) 150.016 O[C@H]([C@@H](O)C(O)=O)C(O)=O FEWJPZIEWOKRBE-JCYAYHJZSA-N 444305 BRD-K09426783-300-01-0 TAS-103 0 91.54 MedChemEx HY-13758A TAS-103 (dihydrochloride) 333.148 CN(C)CCNc1nc2cc(O)ccc2c2-c3ccccc3C(=O)c12 ROWSTIYZUWEOMM-UHFFFAOYSA-N 135413533 BRD-K09426783-300-03-9 TAS-103 0 0 MedChemEx HY-13758A TAS-103 (dihydrochloride) 333.148 CN(C)CCNc1nc2cc(O)ccc2c2-c3ccccc3C(=O)c12 ROWSTIYZUWEOMM-UHFFFAOYSA-N 135413533 BRD-K44844162-001-01-6 taselisib 0 98.4 MedChemEx HY-13898 GDC-0032 460.234 CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O BEUQXVWXFDOSAQ-UHFFFAOYSA-N 51001932 BRD-K44844162-001-04-0 taselisib 0 MedChemEx HY-13898 GDC-0032 460.234 CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O "InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)" 51001932 BRD-K62971431-001-01-9 tasimelteon 0 98.42 Synnovator PBLJ6300 "N-{[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}propanamide" 245.142 CCC(=O)NC[C@@H]1C[C@H]1c1cccc2OCCc12 PTOIAAWZLUQTIO-GXFFZTMASA-N 10220503 BRD-K42495768-001-01-7 tasisulam 0 98.5 Selleck S7326 Tasisulam 412.835 Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 WWONFUQGBVOKOF-UHFFFAOYSA-N 10160238 BRD-K42495768-001-02-5 tasisulam 0 96.72 Selleck S7326 Tasisulam 412.835 Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 WWONFUQGBVOKOF-UHFFFAOYSA-N 10160238 BRD-K14653796-001-02-9 tasquinimod 0 96.49 MedChemEx HY-10528 Tasquinimod 406.114 COc1cccc2n(C)c(=O)c(C(=O)N(C)c3ccc(cc3)C(F)(F)F)c(O)c12 ONDYALNGTUAJDX-UHFFFAOYSA-N 54682876 BRD-K14653796-001-01-1 tasquinimod 0 99.3 MedChemEx HY-10528 Tasquinimod 406.114 COc1cccc2n(C)c(=O)c(C(=O)N(C)c3ccc(cc3)C(F)(F)F)c(O)c12 ONDYALNGTUAJDX-UHFFFAOYSA-N 54682876 BRD-K10415035-001-04-4 tasuldine 0 98.77 Labotest LT02086585 2-[(3-pyridinylmethyl)sulfanyl]pyrimidine 203.052 C(Sc1ncccn1)c1cccnc1 HMCTXMOKMWELFJ-UHFFFAOYSA-N 65666 BRD-K10415035-001-03-6 tasuldine 0 13.93 Vitas-M STK829713 203.052 C(Sc1ncccn1)c1cccnc1 HMCTXMOKMWELFJ-UHFFFAOYSA-N 65666 BRD-K51474575-001-11-2 taurine 0 0 MicroSource 1505463 TAURINE 125.015 NCCS(O)(=O)=O XOAAWQZATWQOTB-UHFFFAOYSA-N 4068592 BRD-K51474575-001-10-4 taurine 0 100 Selleck S2008 Taurine 125.015 NCCS(O)(=O)=O XOAAWQZATWQOTB-UHFFFAOYSA-N 4068592 BRD-K81062487-001-05-8 taurocholate 0 100 Enzo BL056 Taurocholic acid sodium salt 515.292 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C WBWWGRHZICKQGZ-HZAMXZRMSA-N 6675 BRD-K81062487-236-01-9 taurocholate 0 92.9 Selleck S5130 Taurocholic acid sodium salt 515.292 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C WBWWGRHZICKQGZ-HZAMXZRMSA-N 6675 BRD-K00003523-236-01-9 tauroglycocholate 0 100 MedChemEx HY-B2119 Sodium tauroglycocholate 572.313 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(=O)NCCS(O)(=O)=O URJQSMIFSMHWSP-VVHBOOHCSA-N 119420 BRD-K98765504-001-01-5 taurolidine 0 0 Sigma T7329 "4-[(1,1-dioxido-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide" 284.061 O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 AJKIRUJIDFJUKJ-UHFFFAOYSA-N 29566 BRD-K76713213-001-02-1 tavaborole 0 91.53 MedChemEx HY-10980 AN-2690 152.044 OB1OCc2cc(F)ccc12 LFQDNHWZDQTITF-UHFFFAOYSA-N 11499245 BRD-K76713213-001-01-3 tavaborole 0 0 MedChemEx HY-10980 AN-2690 152.044 OB1OCc2cc(F)ccc12 LFQDNHWZDQTITF-UHFFFAOYSA-N 11499245 BRD-K00003254-001-01-9 tavilermide 0 85.65 MedChemEx HY-17622 Tavilermide 580.213 NCCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)c2cc(ccc2OCC[C@H](NC1=O)C(=O)NCC(O)=O)[N+]([O-])=O DVJXNXPFYJIACK-ULQDDVLXSA-N 9808372 BRD-K94649603-001-14-9 taxifolin 0 92.46 MedChemEx HY-N0136 Taxifolin 304.058 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 CXQWRCVTCMQVQX-LSDHHAIUSA-N 439533 BRD-K94649603-001-10-6 taxifolin 0 79.63 Selleck S2366 Taxifolin (Dihydroquercetin) 304.058 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 CXQWRCVTCMQVQX-LSDHHAIUSA-N 439533 BRD-K94649603-001-11-4 taxifolin 0 97.48 Selleck S2366 Taxifolin (Dihydroquercetin) 304.058 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 CXQWRCVTCMQVQX-LSDHHAIUSA-N 439533 BRD-K76841105-001-04-7 tazarotene 0 97.04 Selleck S1569 Tazarotene 351.129 CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 OGQICQVSFDPSEI-UHFFFAOYSA-N 5381 BRD-K76841105-001-05-9 tazarotene 0 97.09 Tocris 3997 Tazarotene 351.129 CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 OGQICQVSFDPSEI-UHFFFAOYSA-N 5381 BRD-K11215326-001-02-9 tazemetostat 0 48.86 Selleck S7128 EPZ-6438 572.336 CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 NSQSAUGJQHDYNO-UHFFFAOYSA-N 66558664 BRD-K11215326-001-03-7 tazemetostat 0 93.46 Selleck S7128 EPZ-6438 (E7438) 572.336 CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 NSQSAUGJQHDYNO-UHFFFAOYSA-N 66558664 BRD-K14312455-001-03-9 tazobactam 0 96.16 MedChemEx HY-B1418 Tazobactam 300.053 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O LPQZKKCYTLCDGQ-WEDXCCLWSA-N 123630 BRD-K56405978-001-01-5 TBA-354 0 96.43 MedChemEx HY-12485 TBA-354 436.099 [O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(nc1)-c1ccc(OC(F)(F)F)cc1 ZXSGSFMORAILEY-HNNXBMFYSA-N 49836057 BRD-M77041484-001-03-4 TBOA-(DL) 0 87.38 Tocris 1223 "(2R,3R)-2-amino-3-(benzyloxy)succinic acid compound with (2S,3S)-2-amino-3-(benzyloxy)succinic acid (1:1)" 239.079 N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O.N[C@H]([C@@H](OCc1ccccc1)C(O)=O)C(O)=O CSEZCYBVEGIYNG-MFBWXLJUSA-N 90479771 BRD-M77041484-001-02-6 TBOA-(DL) 0 91 Tocris 1223 DL-TBOA 239.079 N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O.N[C@H]([C@@H](OCc1ccccc1)C(O)=O)C(O)=O CSEZCYBVEGIYNG-MFBWXLJUSA-N 90479771 BRD-M77041484-001-01-8 TBOA-(DL) 0 81.5 Tocris 1223 DL-TBOA 239.079 N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O.N[C@H]([C@@H](OCc1ccccc1)C(O)=O)C(O)=O CSEZCYBVEGIYNG-MFBWXLJUSA-N 90479771 BRD-A12147465-003-01-4 TC-A-2317 0 92.69 Tocris 4066 TC-A 2317 hydrochloride 356.232 C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |&1:1| XHHRGYCOEVNAKV-ZDUSSCGKSA-N 24783396 BRD-A12147465-003-02-9 TC-A-2317 0 89.17 Tocris 4066 TC-A 2317 hydrochloride 356.232 C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |&1:1| XHHRGYCOEVNAKV-ZDUSSCGKSA-N 24783396 BRD-K29660062-300-01-2 TC-ASK-10 0 95.66 Tocris 4825 TC ASK 10 359.175 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 SMJAMOAYGIVKRI-UHFFFAOYSA-N 24944925 BRD-K29660062-001-01-6 TC-ASK-10 0 97.32 Focus Oct-4803 TC ASK 10 2HCl 359.175 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 SMJAMOAYGIVKRI-UHFFFAOYSA-N 24944925 BRD-K15256258-001-03-9 TC-E-5002 0 81.78 Tocris 5089 TC-E 5002 285.194 ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1 NEHSERYKENINRH-UHFFFAOYSA-N 71735843 BRD-K15256258-001-01-3 TC-E-5002 0 96.52 Tocris 5089 TC-E502 285.194 ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1 NEHSERYKENINRH-UHFFFAOYSA-N 71735843 BRD-K15256258-001-02-1 TC-E-5002 0 80.04 Tocris 5089 TC-E 5002 285.194 ON(CCC(O)=O)C(=O)CCCCCCCCC1CC1 NEHSERYKENINRH-UHFFFAOYSA-N 71735843 BRD-A66521565-001-03-9 TC-E-5006 0 96.96 Tocris 4898 TC-E 5006 499.213 "C[C@@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |&1:1,&2:9,r|" ONYWALXTZFPKAS-WINIVTDRSA-N 97289132 BRD-A66521565-001-01-8 TC-E-5006 0 97.66 Tocris 4898 TC-E 5006 499.213 "C[C@@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |&1:1,&2:9,r|" ONYWALXTZFPKAS-WINIVTDRSA-N 97289132 BRD-K26041695-001-02-5 TC-F-2 0 96.64 Tocris 4355 TC-F 2 439.201 CCn1c2ccccc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O NXTBLPPTZRPJCA-IBGZPJMESA-N 25198728 BRD-K26041695-001-01-7 TC-F-2 0 98.4 Tocris 4355 TC-F 2 439.201 CCn1c2ccccc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O NXTBLPPTZRPJCA-IBGZPJMESA-N 25198728 BRD-K16497916-001-02-9 TC-FPR-43 0 95.53 Tocris 4624 TC-FPR 43 384.135 CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C PAEBEUZTAPIOIO-UHFFFAOYSA-N 24776341 BRD-K16497916-001-01-6 TC-FPR-43 0 97.83 Tocris 4624 TC-FPR 43 384.135 CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C PAEBEUZTAPIOIO-UHFFFAOYSA-N 24776341 BRD-K27010807-050-02-9 TC-G-1000 0 93.6 Tocris 5021 TC-G 1000 230.088 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| RLKWQKZPCMICPS-UHFFFAOYSA-N 10220232 BRD-K27010807-050-01-3 TC-G-1000 0 77.34 Tocris 5021 TC-G 1000 230.088 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| RLKWQKZPCMICPS-UHFFFAOYSA-N 10220232 BRD-K76989898-001-02-9 TC-G-1004 0 95.87 Tocris 4407 TC-G 1004 421.223 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C JENSDTKXNVHSSN-UHFFFAOYSA-N 25074316 BRD-K76989898-001-01-1 TC-G-1004 0 90.59 Tocris 4407 TC-G 1004 421.223 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C JENSDTKXNVHSSN-UHFFFAOYSA-N 25074316 BRD-K16939217-001-02-9 TC-G-1005 0 94.65 Tocris 5129 TC-G 1005 399.195 Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 JQULIQJSYPZQMA-UHFFFAOYSA-N 71450251 BRD-K16939217-001-01-3 TC-G-1005 0 87.66 Tocris 5129 TC-G 1005 399.195 Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 JQULIQJSYPZQMA-UHFFFAOYSA-N 71450251 BRD-K87199310-001-01-4 TC-G-1008 0 98.28 Tocris 5355 TC-G 1008 418.098 CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1 DRSZMILOMUPIBJ-UHFFFAOYSA-N 91826086 BRD-K87199310-001-02-9 TC-G-1008 0 97.69 Tocris 5355 TC-G 1008 418.098 CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1 DRSZMILOMUPIBJ-UHFFFAOYSA-N 91826086 BRD-K45044657-001-02-2 TC-H-106 0 89.32 Tocris 4270 TC-H 106 339.195 Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1 WTKBRPXPNAKVEQ-UHFFFAOYSA-N 16070100 BRD-K45044657-001-01-4 TC-H-106 0 Stanley BRD-9-3 339.195 Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1 "InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)" 16070100 BRD-K17621556-001-02-9 TC-I-15 0 93.34 Tocris 4527 TC-I 15 520.145 CC1(C)SCN([C@@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O)S(=O)(=O)c1ccccc1 XKLHCUGVLCGKKX-RBUKOAKNSA-N 90488948 BRD-K17621556-001-01-5 TC-I-15 0 96.07 Tocris 4527 TC-I 15 520.145 CC1(C)SCN([C@@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O)S(=O)(=O)c1ccccc1 XKLHCUGVLCGKKX-RBUKOAKNSA-N 90488948 BRD-A83792282-001-02-9 TC-I-2000 0 96.77 Tocris 4632 TC-I 2000 414.136 "Fc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 |&1:17,r|" ADCDUDFEGFKKQH-NRFANRHFSA-N 57326391 BRD-A83792282-001-01-6 TC-I-2000 0 96.49 Tocris 4632 TC-I 2000 414.136 "Fc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 |&1:17,r|" ADCDUDFEGFKKQH-NRFANRHFSA-N 57326391 BRD-K05262258-001-01-3 TC-I-2014 0 94.45 Tocris 5410 TC-I 2014 467.143 FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| VSMFCZZEKTVDHM-UHFFFAOYSA-N 135883253 BRD-K05262258-001-02-9 TC-I-2014 0 95.86 Tocris 5410 TC-I 2014 467.143 FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| VSMFCZZEKTVDHM-UHFFFAOYSA-N 135883253 BRD-K32031961-001-02-9 TC-LPA5-4 0 95.56 Tocris 4708 TC LPA5 4 410.14 COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O BNALUYKEGYUHQC-UHFFFAOYSA-N 66552906 BRD-K32031961-001-01-7 TC-LPA5-4 0 96.94 Tocris 4708 TC LPA5 4 410.14 COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O BNALUYKEGYUHQC-UHFFFAOYSA-N 66552906 BRD-K76792630-001-02-9 TC-Mps1-12 0 95.69 Tocris 4750 TC Mps1 12 324.17 CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N XDEFNAWAKYQBQY-UHFFFAOYSA-N 70682875 BRD-K76792630-001-01-2 TC-Mps1-12 0 98.5 Tocris 4750 TC Mps1 12 324.17 CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N XDEFNAWAKYQBQY-UHFFFAOYSA-N 70682875 BRD-K78161388-001-02-9 TC-N-1752 0 97.34 Tocris 4435 TC-N 1752 516.21 CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C QLKAFHZJICDACE-UHFFFAOYSA-N 53361524 BRD-K78161388-001-01-2 TC-N-1752 0 98.27 Tocris 4435 TC-N 1752 516.21 CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C QLKAFHZJICDACE-UHFFFAOYSA-N 53361524 BRD-K79608170-001-03-9 TC-NTR1-17 0 97.7 Tocris 5087 TC NTR1 17 522.167 COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O ZQUSYVORYNBGLG-FQEVSTJZSA-N 44157038 BRD-K79608170-001-02-1 TC-NTR1-17 0 98.19 Tocris 5087 TC NTR1 17 522.167 COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O ZQUSYVORYNBGLG-FQEVSTJZSA-N 44157038 BRD-K54297077-001-01-8 TC-O-9311 0 95.21 Tocris 4255 TC-O 9311 365.138 COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12 KPTMSQHTGZMEFU-UHFFFAOYSA-N 3376937 BRD-K54297077-001-02-9 TC-O-9311 0 95.92 Tocris 4255 TC-O 9311 365.138 COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12 KPTMSQHTGZMEFU-UHFFFAOYSA-N 3376937 BRD-K55013981-001-02-9 TC-OT-39 0 95.77 Tocris 4625 TC OT 39 600.299 CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 KSNHHKZYKYNBEI-NDEPHWFRSA-N 135413563 BRD-K55013981-001-01-3 TC-OT-39 0 96.28 Tocris 4625 TC OT 39 600.299 CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 KSNHHKZYKYNBEI-NDEPHWFRSA-N 135413563 BRD-K34362291-001-02-9 TC-S-7003 0 84.21 Tocris 3567 TC-S 7003 530.254 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 BHJJWVDKNXABFS-UHFFFAOYSA-N 11785878 BRD-K34362291-001-01-5 TC-S-7003 0 94.27 Tocris 3567 TC-S 7003 530.254 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 BHJJWVDKNXABFS-UHFFFAOYSA-N 11785878 BRD-K89517477-001-03-9 TC-S-7004 0 95.46 Tocris 5088 TC-S 7004 497.066 COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 CQKBSRPVZZLCJE-UHFFFAOYSA-N 57523919 BRD-K89517477-001-01-4 TC-S-7004 0 95.75 Tocris 5088 TC-S 7004 497.066 COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 CQKBSRPVZZLCJE-UHFFFAOYSA-N 57523919 BRD-K89584803-001-02-9 TC-S-7005 0 98.12 Tocris 4459 TC-S 7005 359.127 C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 DAAGOCSHXCDWDY-ZDUSSCGKSA-N 24971422 BRD-K89584803-001-01-9 TC-S-7005 0 99.07 Tocris 4459 TC-S 7005 359.127 C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 DAAGOCSHXCDWDY-ZDUSSCGKSA-N 24971422 BRD-K51776215-001-03-9 TC-S-7006 0 94.67 Tocris 5240 TC-S 7006 404.095 Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl NMEUKWOOQOHUNA-UHFFFAOYSA-N 9549300 BRD-K51776215-001-02-5 TC-S-7006 0 88.42 Tocris 5240 TC-S 7006 404.095 Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl NMEUKWOOQOHUNA-UHFFFAOYSA-N 9549300 BRD-K21894922-001-01-9 TC-S-7009 0 96.72 Tocris 5243 TC-S 7009 308.011 [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 CDQUJZKBRAFWNG-UHFFFAOYSA-N 70697712 BRD-K21894922-001-02-9 TC-S-7009 0 97.41 Tocris 5243 TC-S 7009 308.011 [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 CDQUJZKBRAFWNG-UHFFFAOYSA-N 70697712 BRD-K87461578-001-02-9 TC-SP-14 0 96.27 Tocris 4363 TC-SP 14 450.121 OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 GVXGVDIXINMAAL-UHFFFAOYSA-N 51346934 BRD-K87461578-001-01-5 TC-SP-14 0 86.12 Tocris 4363 TC-SP 14 450.121 OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 GVXGVDIXINMAAL-UHFFFAOYSA-N 51346934 BRD-K01825674-001-01-9 TC1 0 95.78 Tocris 2669 TC 1 297.153 "O[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]3[C@@H]([C@H]3[C@@H]5C[C@@H]4[C@@H]13)N2CCc1cccc(F)c1 |&1:1,&2:2,&3:3,&4:4,&5:5,&6:6,&7:7,&8:8,&9:10,&10:11,r,TLB:13:12:2.5:7.11|" FYGREZKTJIXWIH-APDWONGJSA-N BRD-K01825674-001-02-9 TC1 0 96.9 Tocris 2669 TC 1 297.153 "O[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]3[C@@H]([C@H]3[C@@H]5C[C@@H]4[C@@H]13)N2CCc1cccc(F)c1 |&1:1,&2:2,&3:3,&4:4,&5:5,&6:6,&7:7,&8:8,&9:10,&10:11,r,TLB:13:12:2.5:7.11|" "InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2/t10-,11+,12+,13-,14+,15+,16-,17+,18-,19-/m1/s1" BRD-K24227647-364-02-3 TC2559 0 67.12 Tocris 2737 (2E)-2-butenedioic acid compound with (3E)-4-(5-ethoxy-3-pyridinyl)-N-methyl-3-buten-1-amine (2:1) 206.142 CCOc1cncc(\C=C\CCNC)c1 HFZDMKMXPGRKCK-GQCTYLIASA-N 9823180 BRD-K24227647-364-01-5 TC2559 0 75.02 Tocris 2737 TC 2559 difumarate 206.142 CCOc1cncc(\C=C\CCNC)c1 HFZDMKMXPGRKCK-GQCTYLIASA-N 9823180 BRD-K27536248-001-03-9 TCID 0 80.05 Tocris 5179 TCID 281.881 Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl IDLAOWFFKWRNHB-UHFFFAOYSA-N 2729042 BRD-K27536248-001-01-7 TCID 0 1.81 Selleck S7140 TCID 281.881 Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl IDLAOWFFKWRNHB-UHFFFAOYSA-N 2729042 BRD-K27536248-001-02-5 TCID 0 55.04 Selleck S7140 TCID 281.881 Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl IDLAOWFFKWRNHB-UHFFFAOYSA-N 2729042 BRD-K09787262-001-02-7 TCN201 0 94.39 Tocris 4154 TCN 201 461.061 Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 FYIBXBFDXNPBSF-UHFFFAOYSA-N 4787937 BRD-K09787262-001-01-9 TCN201 0 97.03 Tocris 4154 TCN 201 461.061 Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 FYIBXBFDXNPBSF-UHFFFAOYSA-N 4787937 BRD-K09787262-001-03-9 TCN201 0 96.47 Tocris 4154 TCN 201 461.061 Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1 FYIBXBFDXNPBSF-UHFFFAOYSA-N 4787937 BRD-K77915400-001-01-6 TCN238 0 90.73 Tocris 4259 TCN 238 197.095 Nc1nccc(\C=C\c2ccccc2)n1 LNUXNUNUGIHCPA-VOTSOKGWSA-N 46911068 BRD-K77915400-001-02-9 TCN238 0 90.68 Tocris 4259 TCN 238 197.095 Nc1nccc(\C=C\c2ccccc2)n1 LNUXNUNUGIHCPA-VOTSOKGWSA-N 46911068 BRD-K00004294-001-01-9 TCS-2002 0 94.75 Tocris 3869 TCS 2002 338.073 "Cc1nnc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |&1:19,r|" RCKYSTKYIVULEK-DEOSSOPVSA-N 44247646 BRD-K49461364-001-02-8 TCS-21311 0 96.02 Tocris 4221 TCS 21311 526.183 CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20| CLGRAWDGLMENOD-UHFFFAOYSA-N 50925411 BRD-K49461364-001-01-0 TCS-21311 0 96.69 AcmeBio AB7977 526.183 CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20| CLGRAWDGLMENOD-UHFFFAOYSA-N 50925411 BRD-K19958299-001-01-1 TCS-2210 0 87.06 Tocris 3877 TCS 2210 323.127 ONC(=O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1 ZOFZKGFBKISZRI-UHFFFAOYSA-N 44607172 BRD-K19958299-001-02-9 TCS-2210 0 94.21 Tocris 3877 TCS 2210 323.127 ONC(=O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1 ZOFZKGFBKISZRI-UHFFFAOYSA-N 44607172 BRD-K55216666-001-01-4 TCS-2314 0 97.08 Tocris 3900 TCS 2314 522.248 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(O)=O)CC2)cc1 ITXAAOWFOURIHK-DEOSSOPVSA-N 11226207 BRD-K55216666-001-02-9 TCS-2314 0 96.53 Tocris 3900 TCS 2314 522.248 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(O)=O)CC2)cc1 ITXAAOWFOURIHK-DEOSSOPVSA-N 11226207 BRD-K81935556-001-01-0 TCS-3035 0 58.4 Tocris 4244 TCS 3035 279.02 OC(=O)COc1ccc(\C=C2/SC(=O)NC2=O)cc1 WXMCOLGPDOYHNK-UITAMQMPSA-N 2295463 BRD-K81935556-001-02-9 TCS-3035 0 93.12 Tocris 4244 TCS 3035 279.02 OC(=O)COc1ccc(\C=C2/SC(=O)NC2=O)cc1 WXMCOLGPDOYHNK-UITAMQMPSA-N 2295463 BRD-K81376179-001-04-8 TCS-359 0 93.25 Tocris 2591 TCS 359 360.114 COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O FSPQCTGGIANIJZ-UHFFFAOYSA-N 1048845 BRD-K81376179-001-07-9 TCS-359 0 95.75 Tocris 2591 TCS 359 360.114 COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O FSPQCTGGIANIJZ-UHFFFAOYSA-N 1048845 BRD-K81376179-001-03-0 TCS-359 0 95 Selleck S8023 TCS 359 360.114 COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O FSPQCTGGIANIJZ-UHFFFAOYSA-N 1048845 BRD-K81376179-001-06-3 TCS-359 0 91.83 Tocris 2591 TCS 359 360.114 COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O FSPQCTGGIANIJZ-UHFFFAOYSA-N 1048845 BRD-K81376179-001-05-5 TCS-359 0 85.04 Selleck S8023 TCS 359 360.114 COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O FSPQCTGGIANIJZ-UHFFFAOYSA-N 1048845 BRD-A16560607-001-02-5 TCS-5861528 0 97.49 Tocris 3938 TCS 5861528 369.18 "CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 |&1:2,r|" ZUTUWJYMCADJHD-GFCCVEGCSA-N 1116244 BRD-A16560607-001-04-9 TCS-5861528 0 96.47 Tocris 3938 TCS 5861528 369.18 "CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 |&1:2,r|" ZUTUWJYMCADJHD-GFCCVEGCSA-N 1116244 BRD-K68358632-001-02-9 TCS-HDAC6-20b 0 100 Tocris 4805 TCS HDAC6 20b 480.302 CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)C1)C2 DQZMLPMCOMRJOR-MOVGKWKRSA-N 23636017 BRD-K68358632-001-01-0 TCS-HDAC6-20b 0 100 Tocris 4805 TCS HDAC6 20b 480.302 CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)C1)C2 DQZMLPMCOMRJOR-MOVGKWKRSA-N 23636017 BRD-K29424831-003-02-1 TCS-OX2-29 0 84.85 Tocris 3371 TCS OX2 29 397.237 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C COFVZFLCAOUMJT-OAQYLSRUSA-N 10408514 BRD-K29424831-003-01-3 TCS-OX2-29 0 98.33 Tocris 3371 TCS OX2 29 397.237 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C "InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1" 10408514 BRD-K08902330-001-01-3 TCS-PIM-1-1 0 96.33 Tocris 2979 TCS PIM-1 1 366 Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 SVSYJTYGPLVUOZ-UHFFFAOYSA-N 1235170 BRD-K08902330-001-02-9 TCS-PIM-1-1 0 97.43 Tocris 2979 TCS PIM-1 1 366 Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 SVSYJTYGPLVUOZ-UHFFFAOYSA-N 1235170 BRD-K00003278-003-01-9 TCV-309 0 70.33 MedChemEx HY-19121A TCV-309 (chloride) 593.176 CCC[n+]1cc(Br)cc(c1)C(=O)N(CCC(=O)NCCOC(=O)N1CCc2ccccc2C1)c1ccccc1 NWWZMECSQFUIGC-UHFFFAOYSA-O 6918167 BRD-K00003308-001-01-9 TD139 0 97.78 MedChemEx HY-19940 TD139 648.181 OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 YGIDGBAHDZEYMT-MQFIMZJJSA-N 73774610 BRD-K28224173-001-03-9 tebipenem 0 99.48 MedChemEx HY-B0396 Tebipenem pivoxil 497.165 "C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3CN(C3)C3=NCCS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C |c:19,t:14|" SNUDIPVBUUXCDG-QHSBEEBCSA-N 9892071 BRD-K00003289-001-01-9 tecadenoson 0 97.17 MedChemEx HY-19661 Tecadenoson 337.139 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 OESBDSFYJMDRJY-BAYCTPFLSA-N 158795 BRD-K41662846-003-02-3 tecalcet 0 95.01 Tocris 3815 R 568 hydrochloride 303.139 COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl ZVQUCWXZCKWZBP-CQSZACIVSA-N 158797 BRD-K41662846-003-01-5 tecalcet 0 96 Cayman 17415 (R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl)propan-1-amine hydrochloride 303.139 COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl ZVQUCWXZCKWZBP-CQSZACIVSA-N 158797 BRD-K48195801-001-01-6 tecastemizole 0 91.7 ChemPacific 58024 1-(4-fluorobenzyl)-N-(piperidin-4-yl)-1H-benzo[d]imidazol-2-amine 324.175 Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc23)cc1 SFOVDSLXFUGAIV-UHFFFAOYSA-N 123618 BRD-K24312986-001-01-2 tecovirimat 0 98.79 MedChemEx HY-14805 Tecovirimat 376.103 FC(F)(F)c1ccc(cc1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O |c:20| CSKDFZIMJXRJGH-VWLPUNTISA-N 16124688 BRD-K24312986-001-02-9 tecovirimat 0 95.95 MedChemEx HY-14805 Tecovirimat 376.103 FC(F)(F)c1ccc(cc1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O |c:20| CSKDFZIMJXRJGH-VWLPUNTISA-N 16124688 BRD-K59436580-001-01-7 tedizolid 0 98.73 MedChemEx HY-14855 Tedizolid 370.119 Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O XFALPSLJIHVRKE-GFCCVEGCSA-N 11234049 BRD-K59436580-001-03-9 tedizolid 0 96.85 MedChemEx HY-14855 Tedizolid 370.119 Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O XFALPSLJIHVRKE-GFCCVEGCSA-N 11234049 BRD-K89121095-001-02-5 tedizolid-phosphate 0 94.69 MedChemEx HY-14855B Tedizolid (phosphate) 450.085 Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](COP(O)(O)=O)OC1=O QCGUSIANLFXSGE-GFCCVEGCSA-N 11476460 BRD-K89121095-304-01-5 tedizolid-phosphate 0 0 Annova L06022 450.085 Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](COP(O)(O)=O)OC1=O QCGUSIANLFXSGE-GFCCVEGCSA-N 11476460 BRD-K89121095-001-01-7 tedizolid-phosphate 0 78.8 MedChemEx HY-14855B Tedizolid (phosphate) 450.085 Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](COP(O)(O)=O)OC1=O QCGUSIANLFXSGE-GFCCVEGCSA-N 11476460 BRD-K88743730-050-03-3 tegaserod 0 50.46 MicroSource 1505215 TEGASEROD MALEATE 301.19 CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 IKBKZGMPCYNSLU-RGVLZGJSSA-N 135409453 BRD-K88743730-050-04-1 tegaserod 0 95.01 MedChemEx HY-14153A Tegaserod (maleate) 301.19 CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 IKBKZGMPCYNSLU-RGVLZGJSSA-N 135409453 BRD-K88743730-050-05-8 tegaserod 0 85.6 Tocris 4613 Tegaserod maleate 301.19 CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 IKBKZGMPCYNSLU-RGVLZGJSSA-N 135409453 BRD-K26701552-001-02-9 tegobuvir 0 96.11 MedChemEx HY-10544 Tegobuvir 517.114 Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 XBEQSQDCBSKCHJ-UHFFFAOYSA-N 23649154 BRD-K26701552-001-01-8 tegobuvir 0 95.88 MedChemEx HY-10544 Tegobuvir 517.114 Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 XBEQSQDCBSKCHJ-UHFFFAOYSA-N 23649154 BRD-K07712545-001-02-9 teicoplanin 0 39.06 MedChemEx HY-A0097 Teicoplanin 1877.557 CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@@H](NC1=O)C(O)=O)c5)cc3Cl BJNLLBUOHPVGFT-SZRRLYCBSA-N BRD-K07712545-001-01-8 teicoplanin 0 56.59 MedChemEx HY-A0097 Teicoplanin 1877.557 CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@@H](NC1=O)C(O)=O)c5)cc3Cl BJNLLBUOHPVGFT-SZRRLYCBSA-N BRD-A09761158-001-02-1 teicoplanin-A2-1 0 46.55 MicroSource 1505707 TEICOPLANIN [A(2-1) shown] 1875.541 "CCCCC\C=C\CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl |a:12,13,15,17,21,35,51,58,71,73,75,78,80,82,87,91,107,110,112,114,121,&1:31,&2:105|" YMWQIYMUNZBOOV-FEHVOAPLSA-N BRD-A09761158-001-03-9 teicoplanin-A2-1 0 0 Selleck S1399 TEICOPLANIN [A(2-1) shown] 1875.541 "CCCCC\C=C\CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl |a:12,13,15,17,21,35,51,58,71,73,75,78,80,82,87,91,107,110,112,114,121,&1:31,&2:105|" YMWQIYMUNZBOOV-FEHVOAPLSA-N BRD-K96571715-001-01-4 teicoplanin-A2-3 0 9.36 Selleck S1399 Teicoplanin 1891.572 CC(C)CCCCCCCC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O)[C@@H]1NC(=O)[C@@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@@H](NC1=O)C(O)=O)c5)cc3Cl FHBQKTSCJKPYIO-VHULWTHOSA-N BRD-K51528698-003-01-4 teijin-compound-1 0 98.07 Tocris 3664 Teijin compound 1 439.127 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 BAOQJSULMWXFRK-GOSISDBHSA-N 44453327 BRD-K51528698-003-02-9 teijin-compound-1 0 94.09 Tocris 3664 Teijin compound 1 439.127 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 BAOQJSULMWXFRK-GOSISDBHSA-N 44453327 BRD-K72912098-001-04-9 telaprevir 0 93.92 MedChemEx HY-10235 Telaprevir 679.406 CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 BBAWEDCPNXPBQM-GDEBMMAJSA-N 3010818 BRD-K72912098-001-03-1 telaprevir 0 68.45 Selleck S1538 Telaprevir (VX-950) 679.406 CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 BBAWEDCPNXPBQM-GDEBMMAJSA-N 3010818 BRD-K83470352-001-01-2 BRD-K72912098-001-02-3 telaprevir 0 86.41 Selleck S1538 Telaprevir (VX-950) 679.406 CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 BBAWEDCPNXPBQM-GDEBMMAJSA-N 3010818 BRD-K84564571-001-03-9 telatinib 0 97.97 MedChemEx HY-10527 Telatinib 409.094 CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 QFCXANHHBCGMAS-UHFFFAOYSA-N 9808844 BRD-K84564571-001-02-4 telatinib 0 93.51 Selleck S2231 Telatinib 409.094 CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 QFCXANHHBCGMAS-UHFFFAOYSA-N 9808844 BRD-K15976406-001-03-3 telbivudine 0 93.99 Selleck S1651 Telbivudine 242.09 Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O IQFYYKKMVGJFEH-CSMHCCOUSA-N 159269 BRD-K15976406-001-04-1 telbivudine 0 97.7 Selleck S1651 ppn-lmp-63 242.09 Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O IQFYYKKMVGJFEH-CSMHCCOUSA-N 159269 BRD-K91159026-001-02-9 telcagepant 0 97.22 MedChemEx HY-32709 Telcagepant 566.206 Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F CGDZXLJGHVKVIE-DNVCBOLYSA-N 11319053 BRD-K91159026-001-01-7 telcagepant 0 96.64 MedChemEx HY-32709 MK-0974 566.206 Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F CGDZXLJGHVKVIE-DNVCBOLYSA-N 11319053 BRD-K06147391-003-03-5 telenzepine 0 95.42 MicroSource 1504187 TELENZEPINE HYDROCHLORIDE 370.146 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 VSWPGAIWKHPTKX-UHFFFAOYSA-N 5387 BRD-K06147391-300-06-8 telenzepine 0 98.14 Tocris 1122 Telenzepine dihydrochloride 370.146 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 VSWPGAIWKHPTKX-UHFFFAOYSA-N 5387 BRD-K82240271-001-02-9 telithromycin 0 89.32 MedChemEx HY-A0062 Telithromycin 811.473 CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC LJVAJPDWBABPEJ-PIRKDXADSA-N BRD-K82240271-001-01-8 telithromycin 0 81.67 Cayman 17315 "(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-(4-(4-(pyridin-3-yl)-1H-imidazo;l-1-yl)butyl)octahydro-2H-[1]oxacyclotetradecino[4,3-d" 811.473 CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC LJVAJPDWBABPEJ-PIRKDXADSA-N BRD-A05523972-001-01-5 telmesteine 0 96.9 TCI T1974 205.041 "CCOC(=O)N1CSC[C@@H]1C(O)=O |&1:9,r|" XBJWOGLKABXFJE-RXMQYKEDSA-N 25271872 BRD-K73999723-001-11-3 telmisartan 0 99.08 MicroSource 1505261 TELMISARTAN 514.237 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C RMMXLENWKUUMAY-UHFFFAOYSA-N 65999 BRD-K73999723-001-13-9 telmisartan 0 97.91 Tocris 5139 Telmisartan 514.237 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C RMMXLENWKUUMAY-UHFFFAOYSA-N 65999 BRD-K73999723-001-14-9 telmisartan 0 97.04 Tocris 5139 Telmisartan 514.237 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C RMMXLENWKUUMAY-UHFFFAOYSA-N 65999 BRD-K73999723-001-10-5 telmisartan 0 98.63 Selleck S1738 Telmisartan 514.237 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C RMMXLENWKUUMAY-UHFFFAOYSA-N 65999 BRD-K63178091-001-01-1 telotristat 0 94.93 MedChemEx HY-13055B Telotristat 546.139 Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F NCLGDOBQAWBXRA-PGRDOPGGSA-N 25025298 BRD-K63178091-001-02-9 telotristat 0 91.25 MedChemEx HY-13055B Telotristat 546.139 Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F NCLGDOBQAWBXRA-PGRDOPGGSA-N 25025298 BRD-K94559059-091-03-2 telotristat-ethyl 0 99.27 MedChemEx HY-13055 "(benzoylamino)acetic acid compound with ethyl (2S)-2-amino-3-{4-[2-amino-6-({(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl}oxy)-4-pyrimidinyl]phenyl}propanoate (1:1)" 574.171 CCOC(=O)[C@@H](N)Cc1ccc(cc1)-c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1 MDSQOJYHHZBZKA-GBXCKJPGSA-N 25181577 BRD-K94559059-091-02-4 telotristat-ethyl 0 83.87 Selleck S2173 Telotristat Etiprate (LX 1606 Hippurate) 574.171 CCOC(=O)[C@@H](N)Cc1ccc(cc1)-c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1 MDSQOJYHHZBZKA-GBXCKJPGSA-N 25181577 BRD-K94559059-091-01-6 telotristat-ethyl 0 91.78 MedChemEx HY-13055 LX1606 (Hippurate) 574.171 CCOC(=O)[C@@H](N)Cc1ccc(cc1)-c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1 MDSQOJYHHZBZKA-GBXCKJPGSA-N 25181577 BRD-K00004596-001-01-9 telratolimod 0 12.91 MedChemEx HY-109104 Telratolimod 593.467 CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c12 RRTPWQXEERTRRK-UHFFFAOYSA-N 56833311 BRD-K00003467-001-01-9 temanogrel 0 95.3 MedChemEx HY-10560 Temanogrel 436.211 COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C ZEOQUKRCASTCFR-UHFFFAOYSA-N 11604525 BRD-K51805276-001-09-3 temefos 0 46.31 MicroSource 330062 TEMEFOS 465.99 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 WWJZWCUNLNYYAU-UHFFFAOYSA-N 5392 BRD-K51805276-001-10-9 temefos 0 83.67 MedChemEx HY-B1120 Temephos 465.99 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 WWJZWCUNLNYYAU-UHFFFAOYSA-N 5392 BRD-K10784860-003-02-3 temocapril 0 97.25 Selleck S2099 Temocapril HCl 476.144 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)c1cccs1 FIQOFIRCTOWDOW-BJLQDIEVSA-N 443874 BRD-K10784860-003-03-9 temocapril 0 96.52 MedChemEx HY-B0384 Temocapril (hydrochloride) 476.144 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)c1cccs1 FIQOFIRCTOWDOW-BJLQDIEVSA-N 443874 BRD-K63712959-001-02-9 temoporfin 0 78.81 MedChemEx HY-16488 Temoporfin 680.242 Oc1cccc(c1)-c1c2CCc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1n2 JGLSWAGTNWZKQU-WWMKMEMESA-N BRD-K63712959-001-01-8 temoporfin 0 85.6 MedChemEx HY-16488 Temoporfin 680.242 Oc1cccc(c1)-c1c2CCc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1n2 JGLSWAGTNWZKQU-WWMKMEMESA-N BRD-K32107296-001-20-1 temozolomide 0 83.49 Tocris 2706 Temozolomide 194.055 Cn1nnc2c(ncn2c1=O)C(N)=O BPEGJWRSRHCHSN-UHFFFAOYSA-N 5394 BRD-K32107296-001-16-9 temozolomide 0 97.56 MicroSource 1502289 TEMOZOLAMIDE 194.055 Cn1nnc2c(ncn2c1=O)C(N)=O BPEGJWRSRHCHSN-UHFFFAOYSA-N 5394 BRD-K32107296-001-15-1 temozolomide 0 97.32 Tocris 2706 Temozolomide 194.055 Cn1nnc2c(ncn2c1=O)C(N)=O BPEGJWRSRHCHSN-UHFFFAOYSA-N 5394 BRD-K32107296-001-14-4 temozolomide 0 96.15 Selleck S1237 Temozolomide 194.055 Cn1nnc2c(ncn2c1=O)C(N)=O BPEGJWRSRHCHSN-UHFFFAOYSA-N 5394 BRD-K95053546-001-03-5 tempol 0 100 Selleck S2910 Tempol (4-Hydroxy-TEMPO) 173.142 CC1(C)CC(O)CC(C)(C)N1O CSGAUKGQUCHWDP-UHFFFAOYSA-N 5395 BRD-U44097393-000-01-2 BRD-K95053546-001-02-7 tempol 0 81.74 Acros 17505 173.142 CC1(C)CC(O)CC(C)(C)N1O CSGAUKGQUCHWDP-UHFFFAOYSA-N 5395 BRD-K95053546-001-01-9 tempol 0 79.52 Selleck S2910 Tempol 173.142 CC1(C)CC(O)CC(C)(C)N1O CSGAUKGQUCHWDP-UHFFFAOYSA-N 5395 BRD-K08177763-001-05-9 temsirolimus 0 96.7 Tocris 5264 Temsirolimus 1029.602 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO |c:14,33,t:29,31|" CBPNZQVSJQDFBE-NRNHWJPGSA-N 134812825 BRD-K00005242-001-01-9 TEN-010 0 94.38 MedChemEx HY-117286 (S)-JQ-35 539.223 CN1CCN(CCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |c:13| PKQXLRYFPSZKDU-QFIPXVFZSA-N 54670351 BRD-K00003263-001-01-9 tenalisib 0 97.79 MedChemEx HY-17645 Tenalisib 415.144 CC[C@H](Nc1ncnc2nc[nH]c12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1 HDXDQPRPFRKGKZ-INIZCTEOSA-N 86291103 BRD-K00003201-001-01-9 tenapanor 0 82.6 MedChemEx HY-15991 Tenapanor 1142.31 CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 DNHPDWGIXIMXSA-CXNSMIOJSA-N 71587953 BRD-A42270467-001-04-4 tenatoprazole 0 95.62 MicroSource 1502342 TENATOPRAZOLE 346.11 COc1ccc2[nH]c(nc2n1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r| ZBFDAUIVDSSISP-DEOSSOPVSA-N 11552393 BRD-K48068743-001-01-6 teneligliptin 0 96.62 MedChemEx HY-14806 Teneligliptin 426.22 Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 WGRQANOPCQRCME-PMACEKPBSA-N 11949652 BRD-K48068743-001-02-9 teneligliptin 0 88.14 MedChemEx HY-14806 Teneligliptin 426.22 Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 WGRQANOPCQRCME-PMACEKPBSA-N 11949652 BRD-K00004279-001-01-9 tenidap 0 93.72 Tocris 2580 Tenidap 320.002 "NC(=O)N1C(=O)[C@@H](C(=O)c2cccs2)c2cc(Cl)ccc12 |&1:6,r|" IGPDWKCUDHIIRL-LLVKDONJSA-N BRD-A41835910-001-02-2 tenilsetam 0 59.54 Enamine EN300-93479 3-(2-thienyl)-2-piperazinone 182.051 "O=C1NCCN[C@@H]1c1cccs1 |&1:6,r|" BBACKDMGYMXYLE-SSDOTTSWSA-N 52539208 BRD-A41835910-001-01-4 tenilsetam 0 54.53 LifeChem F2147-0982 182.051 "O=C1NCCN[C@@H]1c1cccs1 |&1:6,r|" BBACKDMGYMXYLE-SSDOTTSWSA-N 52539208 BRD-K10362825-001-03-4 teniposide 0 87.92 Selleck S1787 Teniposide (Vumon) 656.156 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](O)[C@H]2O)c2cccs2)c2cc3OCOc3cc12 NRUKOCRGYNPUPR-QBPJDGROSA-N 452548 BRD-K10362825-001-04-2 teniposide 0 96.09 Selleck S1787 Teniposide 656.156 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](O)[C@H]2O)c2cccs2)c2cc3OCOc3cc12 NRUKOCRGYNPUPR-QBPJDGROSA-N 452548 BRD-K94631066-001-01-3 BRD-K15891719-213-01-1 tenofovir 0 72.17 MicroSource 1502393 TENOFOVIR 287.078 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O SGOIRFVFHAKUTI-ZCFIWIBFSA-N 464205 BRD-K15891719-001-05-1 tenofovir 0 100 Selleck S1401 Tenofovir (Viread) 287.078 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O SGOIRFVFHAKUTI-ZCFIWIBFSA-N 464205 BRD-K15891719-001-04-4 tenofovir 0 70.77 Selleck S1401 Tenofovir 287.078 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O SGOIRFVFHAKUTI-ZCFIWIBFSA-N 464205 BRD-A25988899-001-01-6 tenofovir-alafenamide 0 93.68 Selleck S7856 Tenofovir Alafenamide (GS-7340) 476.194 "CC(C)OC(=O)[C@@H](C)NP(=O)(CO[C@@H](C)Cn1cnc2c(N)ncnc12)Oc1ccccc1 |&1:6,&2:9,&3:13,r|" LDEKQSIMHVQZJK-FOCZCJQRSA-N BRD-K61868322-051-06-4 tenofovir-disoproxil 0 95.24 Selleck S1400 Tenofovir Disoproxil Fumarate 519.173 CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C JFVZFKDSXNQEJW-CQSZACIVSA-N 5481350 BRD-K61868322-050-01-7 tenofovir-disoproxil 0 84.55 Selleck S1400 Tenofovir Disoproxil Fumarate 519.173 CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C JFVZFKDSXNQEJW-CQSZACIVSA-N 5481350 BRD-K05977823-001-05-3 tenovin-1 0 95.56 Tocris 3365 Tenovin-1 369.151 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 WOWJIWFCOPZFGV-UHFFFAOYSA-N 1013376 BRD-K05977823-001-06-9 tenovin-1 0 96.5 Tocris 3365 Tenovin-1 369.151 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 WOWJIWFCOPZFGV-UHFFFAOYSA-N 1013376 BRD-K05977823-001-04-6 tenovin-1 0 0 Selleck S8000 Tenovin-1 369.151 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 WOWJIWFCOPZFGV-UHFFFAOYSA-N 1013376 BRD-K05977823-001-03-8 tenovin-1 0 0 Selleck S8000 Tenovin-1 369.151 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 WOWJIWFCOPZFGV-UHFFFAOYSA-N 1013376 BRD-K13949769-001-01-7 tenovin-6 0 91.3 Selleck S4900 Tenovin-6 454.24 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 BVJSXSQRIUSRCO-UHFFFAOYSA-N 24772043 BRD-K13949769-003-01-3 tenovin-6 0 93 Selleck S4900 Tenovin-6 454.24 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 BVJSXSQRIUSRCO-UHFFFAOYSA-N 24772043 BRD-K13949769-001-02-9 tenovin-6 0 96.44 MedChemEx HY-15510 Tenovin-6 454.24 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 BVJSXSQRIUSRCO-UHFFFAOYSA-N 24772043 BRD-A22844106-001-29-9 tenoxicam 0 76.11 MedChemEx HY-B0440 Tenoxicam 337.019 CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O |t:12| LZNWYQJJBLGYLT-UHFFFAOYSA-N 54677971 BRD-A22844106-001-26-0 tenoxicam 0 98.19 MicroSource 1503142 TENOXICAM 337.019 CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O |t:12| LZNWYQJJBLGYLT-UHFFFAOYSA-N 54677971 BRD-A22844106-001-25-2 tenoxicam 0 93.59 Selleck S2512 Tenoxicam 337.019 CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O |t:12| LZNWYQJJBLGYLT-UHFFFAOYSA-N 54677971 BRD-K91298281-001-01-3 tenylidone 0 71.2 MicroSource 1506108 TENYLIDONE 286.049 O=C1\C(CCC\C1=C/c1cccs1)=C\c1cccs1 KHXBULXCCPIELT-DCIPZJNNSA-N 1550999 BRD-K91298281-001-09-9 tenylidone 0 64.52 ChemDiv 8008-2113 "2,6-bis[(E)-1-(2-thienyl)methylidene]-1-cyclohexanone" 286.049 O=C1\C(CCC\C1=C/c1cccs1)=C\c1cccs1 KHXBULXCCPIELT-DCIPZJNNSA-N 1550999 BRD-K89714990-001-01-5 tepoxalin 0 98.03 MicroSource 1504107 TEPOXALIN 385.119 COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1 XYKWNRUXCOIMFZ-UHFFFAOYSA-N 59757 BRD-K89714990-001-02-3 tepoxalin 0 97.32 Toronto T103250 tepoxalin 385.119 COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1 XYKWNRUXCOIMFZ-UHFFFAOYSA-N 59757 BRD-K01826017-001-02-9 TEPP-46 0 97.55 MedChemEx HY-18657 TEPP-46 372.071 Cn1c2cc(sc2c2cnn(Cc3cccc(N)c3)c(=O)c12)[S@@](C)=O |r| ZWKJWVSEDISQIS-RUZDIDTESA-N 60156291 BRD-K01826017-001-01-9 TEPP-46 0 86.53 MedChemEx HY-18657 TEPP-46 372.071 Cn1c2cc(sc2c2cnn(Cc3cccc(N)c3)c(=O)c12)[S@@](C)=O |r| ZWKJWVSEDISQIS-RUZDIDTESA-N 60156291 BRD-K11510141-001-04-2 teprenone 0 0 MedChemEx HY-B0779 Teprenone 330.292 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O HUCXKZBETONXFO-NJFMWZAGSA-N 5282199 BRD-K11510141-001-03-4 teprenone 0 82.34 MedChemEx HY-B0779 Teprenone 330.292 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O HUCXKZBETONXFO-NJFMWZAGSA-N 5282199 BRD-K11510141-001-02-6 teprenone 0 77.7 SantaCruz sc-252851 330.292 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O HUCXKZBETONXFO-NJFMWZAGSA-N 5282199 BRD-K11510141-001-01-8 teprenone 0 79.43 SantaCruz sc-252851 330.292 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O HUCXKZBETONXFO-NJFMWZAGSA-N 5282199 BRD-K76788410-001-01-6 terameprocol 0 99.1 Sigma MFCD11113155 "4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene" 358.214 COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC ORQFDHFZSMXRLM-IYBDPMFKSA-N 476861 BRD-K01826569-003-19-9 terazosin 0 96.26 Tocris 1506 Terazosin hydrochloride 387.191 "COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@H]1CCCO1 |&1:23,r|" VCKUSRYTPJJLNI-CQSZACIVSA-N 1398859 BRD-K68132782-003-14-6 terbinafine 0 98.42 MicroSource 1505392 TERBINAFINE HYDROCHLORIDE 291.199 CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 DOMXUEMWDBAQBQ-WEVVVXLNSA-N 1549008 BRD-K68132782-003-13-8 terbinafine 0 98.76 Selleck S2557 Terbinafine HCl 291.199 CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 DOMXUEMWDBAQBQ-WEVVVXLNSA-N 1549008 BRD-K68132782-001-03-3 terbinafine 0 96.48 Selleck S1725 Terbinafine 291.199 CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12 DOMXUEMWDBAQBQ-WEVVVXLNSA-N 1549008 BRD-A50157456-065-21-4 terbutaline 0 93.35 MedChemEx HY-B0802 Terbutaline (sulfate) 225.136 CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1 |&1:6| XWTYSIMOBUGWOL-LLVKDONJSA-N 11354816 BRD-M79902621-065-06-7 BRD-A50157456-065-20-6 terbutaline 0 81.89 MicroSource 1500558 TERBUTALINE HEMISULFATE 225.136 CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1 |&1:6| XWTYSIMOBUGWOL-LLVKDONJSA-N 11354816 BRD-K01826018-001-01-9 terciprazine 0 94.14 PrincetonBio OSSK_922544 1-[(1-ethynylcyclohexyl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propanol 410.218 "O[C@@H](COC1(CCCCC1)C#C)CN1CCN(CC1)c1cccc(c1)C(F)(F)F |&1:1,r|" SDKXUWMRKYQIFU-HXUWFJFHSA-N 30844635 BRD-K86204871-001-17-9 terconazole 0 95.98 MedChemEx HY-B1790 Terconazole 531.18 CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 BLSQLHNBWJLIBQ-OZXSUGGESA-N 441383 BRD-K86204871-001-16-2 terconazole 0 78.39 MicroSource 1503847 TERCONAZOLE 531.18 CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 BLSQLHNBWJLIBQ-OZXSUGGESA-N 441383 BRD-A06352418-001-25-9 terfenadine 0 97.86 MicroSource 1503708 TERFENADINE 471.314 "CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:10,r|" GUGOEEXESWIERI-PMERELPUSA-N 6604035 BRD-A06352418-001-27-5 terfenadine 0 88.87 Tocris 3948 Terfenadine 471.314 "CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:10,r|" GUGOEEXESWIERI-PMERELPUSA-N 6604035 BRD-A06352418-001-24-2 terfenadine 0 95.16 Selleck S4353 Terfenadine 471.314 "CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:10,r|" GUGOEEXESWIERI-PMERELPUSA-N 6604035 BRD-A06352418-001-28-9 terfenadine 0 95.01 Tocris 3948 Terfenadine 471.314 "CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |&1:10,r|" GUGOEEXESWIERI-PMERELPUSA-N 6604035 BRD-A89207210-001-01-6 terguride 0 94.68 Kemprotec 37686-84-3 "1,1-diethyl-3-((9S)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)urea" 340.226 "CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |a:8,&1:10,&2:11|" JOAHPSVPXZTVEP-YXJHDRRASA-N 443951 BRD-A42699921-001-02-8 teriflunomide 0 87.02 Selleck S4169 Teriflunomide 270.062 "CC(=O)[C@@H](C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |&1:3,r|" NABQBYDEMLGCEO-SNVBAGLBSA-N BRD-A42699921-001-04-4 teriflunomide 0 88.62 Tocris 5069 Teriflunomide 270.062 "CC(=O)[C@@H](C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |&1:3,r|" NABQBYDEMLGCEO-SNVBAGLBSA-N BRD-A42699921-001-03-6 teriflunomide 0 99.84 Selleck S4169 Teriflunomide 270.062 "CC(=O)[C@@H](C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |&1:3,r|" NABQBYDEMLGCEO-SNVBAGLBSA-N BRD-K73451719-001-01-2 terlipressin 0 86.38 Key HS-2028 "(S)-N-((S)-6-amino-1-(2-amino-2-oxoethylamino)-1-oxohexan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-19-(2-(2-(2-aminoacetamido)acetamido)acetamido)-13-benzyl-16-;(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8" 1226.496 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O BENFXAYNYRLAIU-WBNRJDGRSA-N 133566182 BRD-A33479817-003-03-7 terodiline 0 97.58 Sigma MFCD00941402 "N-(tert-butyl)-4,4-diphenyl-2-butanamine hydrochloride" 281.214 C[C@@H](CC(c1ccccc1)c1ccccc1)NC(C)(C)C |&1:1| UISARWKNNNHPGI-INIZCTEOSA-N 9925740 BRD-A39935389-001-06-9 teroxirone 0 100 Sigma MFCD00080670 "Tris(2,3-epoxypropyl) isocyanurate" 297.096 "O=c1n(C[C@H]2CO2)c(=O)n(C[C@H]2CO2)c(=O)n1C[C@H]1CO1 |&1:4,&2:11,&3:18,r|" OUPZKGBUJRBPGC-CIUDSAMLSA-N 11197252 BRD-A39935389-001-05-9 teroxirone 0 100 ChemDiv 0168-0391 297.096 "O=c1n(C[C@H]2CO2)c(=O)n(C[C@H]2CO2)c(=O)n1C[C@H]1CO1 |&1:4,&2:11,&3:18,r|" OUPZKGBUJRBPGC-CIUDSAMLSA-N 11197252 BRD-K00003674-002-01-9 terpene 0 0 MedChemEx HY-B1063 Terpin (hydrate) 172.146 "CC(C)(O)[C@H]1CC[C@](C)(O)CC1 |&1:7,&2:4|" RBNWAMSGVWEHFP-CZMCAQCFSA-N BRD-K00024725-001-01-9 terreic-acid-(-) 0 Tocris 1405 (-)-Terric acid 154.027 C[C@@H]1C(=O)[C@H]2O[C@H]2C(=O)C1=O |&1:1| NYFMSQHOGRWGFD-OOVQLBIQSA-N BRD-K43975632-001-01-1 terutroban 0 95.89 MedChemEx HY-16991 Terutroban 407.096 Cc1ccc2C[C@@H](CCc2c1CCC(O)=O)NS(=O)(=O)c1ccc(Cl)cc1 HWEOXFSBSQIWSY-MRXNPFEDSA-N 9938840 BRD-K15507868-001-04-5 tesaglitazar 0 91 Tocris 3965 Tesaglitazar 408.124 CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O CXGTZJYQWSUFET-IBGZPJMESA-N 208901 BRD-K15507868-001-03-7 tesaglitazar 0 96.97 Cayman 16791 408.124 CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O CXGTZJYQWSUFET-IBGZPJMESA-N 208901 BRD-K00004564-001-01-9 tetomilast 0 93.74 Sigma MFCD00936868 "6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinecarboxylic acid" 370.099 CCOc1ccc(cc1OCC)-c1nc(cs1)-c1cccc(n1)C(O)=O XDBHURGONHZNJF-UHFFFAOYSA-N 3025803 BRD-K95739795-001-04-5 tetrabenazine 0 93.02 Tocris 2175 Tetrabenazine 317.199 COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@H]3c2cc1OC MKJIEFSOBYUXJB-HOCLYGCPSA-N 11634155 BRD-K95739795-001-03-7 tetrabenazine 0 87.1 Tocris 2175 Tetrabenazine 317.199 COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@H]3c2cc1OC MKJIEFSOBYUXJB-HOCLYGCPSA-N 11634155 BRD-K95739795-001-05-9 tetrabenazine 0 88.22 Tocris 2175 Tetrabenazine 317.199 COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@H]3c2cc1OC MKJIEFSOBYUXJB-HOCLYGCPSA-N 11634155 BRD-K45071273-003-24-9 tetracaine 0 93.56 Selleck S2573 Tetracaine HCl 264.184 CCCCNc1ccc(cc1)C(=O)OCCN(C)C GKCBAIGFKIBETG-UHFFFAOYSA-N 5411 BRD-K45071273-003-25-6 tetracaine 0 98.82 MicroSource 1500564 TETRACAINE HYDROCHLORIDE 264.184 CCCCNc1ccc(cc1)C(=O)OCCN(C)C GKCBAIGFKIBETG-UHFFFAOYSA-N 5411 BRD-K00003352-003-01-9 tetracycline 0 52.63 MedChemEx HY-B0474 Tetracycline (hydrochloride) 444.153 "[H][C@@]12C[C@@]3([H])[C@@H](C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)[C@@H](C(N)=O)C(=O)[C@H]2N(C)C |&1:24,&2:5|" MUHBBHLZPHKTTR-VHOYBAKPSA-N 129396784 BRD-K47539947-001-03-7 tetradecylthioacetic-acid 0 100 Enzo GR236 Tetradecylthioacetic acid 288.212 CCCCCCCCCCCCCCSCC(O)=O IPBCWPPBAWQYOO-UHFFFAOYSA-N 114924 BRD-K47539947-001-04-9 tetradecylthioacetic-acid 0 100 Sigma T1698 Tetradecylthioacetic acid 288.212 CCCCCCCCCCCCCCSCC(O)=O IPBCWPPBAWQYOO-UHFFFAOYSA-N 114924 BRD-K41298358-395-02-6 tetraethylenepentamine 0 73.12 Selleck S4410 Tetraethylenepentamine 5HCl 189.195 NCCNCCNCCNCCN FAGUFWYHJQFNRV-UHFFFAOYSA-N 8197 BRD-K41298358-395-03-4 tetraethylenepentamine 0 99.86 Selleck S4410 tetraethylenepentamine pentahydrochloride 189.195 NCCNCCNCCNCCN FAGUFWYHJQFNRV-UHFFFAOYSA-N 8197 BRD-K41298358-395-04-2 tetraethylenepentamine 0 63.5 Selleck S4410 Tetraethylenepentamine 5HCl 189.195 NCCNCCNCCNCCN FAGUFWYHJQFNRV-UHFFFAOYSA-N 8197 BRD-A36978621-001-01-9 tetrahydrofolic-acid 0 0 Sigma MFCD00135583 "(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid" 445.171 "Nc1nc(=O)c2N[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |a:19,&1:7|" MSTNYGQPCMXVAQ-RYUDHWBXSA-N 135398650 BRD-K01825583-003-03-9 tetrahydropapaverine 0 97.07 Selleck S2367 Tetrahydropapaverine hydrochloride 379.155 COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |&1:7| YXWQTVWJNHKSCC-MRXNPFEDSA-N 688594 BRD-K01825583-003-02-9 tetrahydropapaverine 0 97.58 Selleck S2367 Tetrahydropapaverine HCl 379.155 COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |&1:7| YXWQTVWJNHKSCC-MRXNPFEDSA-N 688594 BRD-A86248581-001-01-4 tetrahydrouridine 0 100 EMDBio 584222-10MG Tetrahydrouridine 248.101 "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)NC1=O |a:2,4,5,7,&1:12|" UCKYOOZPSJFJIZ-FMDGEEDCSA-N 9543506 BRD-A28856712-003-25-2 tetrahydrozoline 0 93.25 Selleck S4043 200.131 "C1CN=C(N1)[C@H]1CCCc2ccccc12 |&1:5,c:2|" BYJAVTDNIXVSPW-LBPRGKRZSA-N 716128 BRD-A28856712-003-26-0 tetrahydrozoline 0 97.41 MicroSource 1500567 200.131 "C1CN=C(N1)[C@H]1CCCc2ccccc12 |&1:5,c:2|" BYJAVTDNIXVSPW-LBPRGKRZSA-N 716128 BRD-A28856712-003-27-9 tetrahydrozoline 0 96.74 MedChemEx HY-B0556A Tetrahydrozoline (hydrochloride) 200.131 "C1CN=C(N1)[C@H]1CCCc2ccccc12 |&1:5,c:2|" BYJAVTDNIXVSPW-LBPRGKRZSA-N 716128 BRD-K36889451-001-01-1 tetramethylthiuram-monosulfide 0 94.7 AKSci O362 Tetramethylthiuram monosulfide 208.016 CN(C)C(=S)SC(=S)N(C)C REQPQFUJGGOFQL-UHFFFAOYSA-N 7347 BRD-A46393198-003-16-6 tetramisole 0 99.58 MicroSource 1505679 TETRAMIZOLE HYDROCHLORIDE 204.072 "C1CN2C[C@@H](N=C2S1)c1ccccc1 |&1:4,c:5|" HLFSDGLLUJUHTE-SNVBAGLBSA-N 26879 BRD-A46393198-003-15-8 tetramisole 0 97.3 Selleck S4094 Tetramisole HCl 204.072 "C1CN2C[C@@H](N=C2S1)c1ccccc1 |&1:4,c:5|" HLFSDGLLUJUHTE-SNVBAGLBSA-N 26879 BRD-K08078237-001-19-8 tetrandrine 0 97.19 Selleck S2403 Tetrandrine (Fanchinine) 622.304 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 WVTKBKWTSCPRNU-KYJUHHDHSA-N 73078 BRD-K08078237-001-20-6 tetrandrine 0 73.47 Selleck S2403 Tetrandrine 622.304 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 WVTKBKWTSCPRNU-KYJUHHDHSA-N 73078 BRD-K59640580-001-07-1 BRD-A14757586-001-03-2 tetrazol-5-yl-glycine-(RS) 0 0 Tocris 312 (RS)-(Tetrazol-5-yl)glycine 143.044 "N[C@@H](C(O)=O)c1nn[nH]n1 |&1:1,r|" UKBRUIZWQZHXFL-PVQJCKRUSA-N 15024268 BRD-A14757586-001-04-9 tetrazol-5-yl-glycine-(RS) 0 100 Tocris 312 (RS)-(Tetrazol-5-yl)glycine 143.044 "N[C@@H](C(O)=O)c1nn[nH]n1 |&1:1,r|" UKBRUIZWQZHXFL-PVQJCKRUSA-N 15024268 BRD-A52660433-066-03-9 tetrindole 0 93.81 Tocris 723 Tetrindole mesylate 294.21 C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 AUXCHYJDVJZEPG-UHFFFAOYSA-N 54792409 BRD-A52660433-066-02-1 tetrindole 0 93.92 Tocris 723 Tetrindole mesylate 294.21 C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 AUXCHYJDVJZEPG-UHFFFAOYSA-N 54792409 BRD-K90177246-001-05-5 tetroquinone 0 0 MicroSource 1503330 TETROQUINONE 172.001 OC1C(=O)C(=O)C(O)C(=O)C1=O GQPHQLHUIDOQTA-UHFFFAOYSA-N 36689751 BRD-K90177246-001-06-3 tetroquinone 0 0 CombiBlocks QB-724 Tetrahydroxyquinone 172.001 OC1C(=O)C(=O)C(O)C(=O)C1=O GQPHQLHUIDOQTA-UHFFFAOYSA-N 36689751 BRD-K97101532-001-02-8 tezacaftor 0 96.27 Selleck S7059 VX-661 520.182 CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1C[C@@H](O)CO MJUVRTYWUMPBTR-MRXNPFEDSA-N 46199646 BRD-K97101532-001-03-9 tezacaftor 0 96.52 MedChemEx HY-15448 Tezacaftor 520.182 CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1C[C@@H](O)CO MJUVRTYWUMPBTR-MRXNPFEDSA-N 46199646 BRD-K57708067-001-02-9 TFC-007 0 93.06 Tocris 5108 TFC 007 487.222 O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1 NLSSUSRERAMBTA-UHFFFAOYSA-N 16040067 BRD-K57708067-001-01-3 TFC-007 0 95.55 Tocris 5108 TFC 007 487.222 O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1 NLSSUSRERAMBTA-UHFFFAOYSA-N 16040067 BRD-K97072811-001-11-4 TG-003 0 96.35 Selleck S7320 TG003 249.082 CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O BGVLELSCIHASRV-QPEQYQDCSA-N 1893668 BRD-K97072811-001-13-9 TG-003 0 96.57 Tocris 4336 TG 003 249.082 CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O BGVLELSCIHASRV-QPEQYQDCSA-N 1893668 BRD-K14560436-001-01-4 TG-02 0 96.17 MedChemEx HY-15166 SB1317 372.195 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| VXBAJLGYBMTJCY-NSCUHMNNSA-N 16739650 BRD-K14560436-001-02-9 TG-02 0 96.86 MedChemEx HY-15166 SB1317 372.195 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| VXBAJLGYBMTJCY-NSCUHMNNSA-N 16739650 BRD-K18424115-003-02-9 TG-100572 0 86.19 MedChemEx HY-10185 TG 100572 (Hydrochloride) 475.178 Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl AQSSMEORRLJZLU-UHFFFAOYSA-N 11712625 BRD-K18424115-003-01-3 TG-100572 0 89.41 MedChemEx HY-10185 TG 100572 (Hydrochloride) 475.178 Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl AQSSMEORRLJZLU-UHFFFAOYSA-N 11712625 BRD-K46392623-001-03-9 TG-100713 0 96.93 Tocris 4264 TG 100713 254.092 Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1 UOORQSPLBHUQDQ-UHFFFAOYSA-N 17751063 BRD-K46392623-001-02-5 TG-100713 0 92.96 Selleck S2870 TG100713 254.092 Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1 UOORQSPLBHUQDQ-UHFFFAOYSA-N 17751063 BRD-K12735121-001-02-9 TG-100801 0 80.28 MedChemEx HY-10186 TG 100801 579.204 Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(OC(=O)c2ccccc2)ccc1Cl JMGXJHWTVBGOKG-UHFFFAOYSA-N 11973736 BRD-K12735121-001-01-4 TG-100801 0 89.33 MedChemEx HY-10186 TG 100801 579.204 Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(OC(=O)c2ccccc2)ccc1Cl JMGXJHWTVBGOKG-UHFFFAOYSA-N 11973736 BRD-K39841531-001-04-9 TG-101209 0 95.64 MedChemEx HY-10410 TG101209 509.257 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1 JVDOKQYTTYUYDV-UHFFFAOYSA-N 16722832 BRD-K39841531-001-02-1 TG-101209 0 94.67 Selleck S2692 TG101209 509.257 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1 JVDOKQYTTYUYDV-UHFFFAOYSA-N 16722832 BRD-K64785675-001-04-0 TG100-115 0 94.74 Selleck S1352 TG100-115 346.118 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 UJIAQDJKSXQLIT-UHFFFAOYSA-N 10427712 BRD-K52579889-001-01-9 TGR-1202 0 94.1 MedChemEx HY-12279 TGR-1202 571.183 CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 IUVCFHHAEHNCFT-INIZCTEOSA-N 72950888 BRD-A41692738-001-10-0 TGX-221 0 91.18 Selleck S1169 TGX-221 364.19 "C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |&1:1,r|" CPRAGQJXBLMUEL-MRXNPFEDSA-N 51601993 BRD-A41692738-001-07-6 TGX-221 0 90.26 Selleck S1169 TGX-221 364.19 "C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |&1:1,r|" CPRAGQJXBLMUEL-MRXNPFEDSA-N 51601993 BRD-K20958582-001-02-9 TH-302 0 84.58 MedChemEx HY-10535 Evofosfamide 446.931 Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O UGJWRPJDTDGERK-UHFFFAOYSA-N 11984561 BRD-K20958582-001-01-4 TH-302 0 88.37 MedChemEx HY-10535 TH-302 446.931 Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O UGJWRPJDTDGERK-UHFFFAOYSA-N 11984561 BRD-K01054709-001-01-3 TH-588 0 97.39 MedChemEx HY-12814 TH588 294.044 Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl PNMYJIOQIAEYQL-UHFFFAOYSA-N 73389731 BRD-K87548127-300-01-1 thaliblastine 0 0 InterBioScreen STOCK1N-51856 696.341 COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC ZCTJIMXXSXQXRI-KYJUHHDHSA-N 21470 BRD-A93255169-001-28-3 thalidomide 0 99 Tocris 652 Thalidomide 258.064 "O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 |&1:3,r|" UEJJHQNACJXSKW-VIFPVBQESA-N 92142 BRD-A93255169-001-27-5 thalidomide 0 98.54 Selleck S1193 Thalidomide 258.064 "O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 |&1:3,r|" UEJJHQNACJXSKW-VIFPVBQESA-N 92142 BRD-K60842365-001-03-9 theaflavin 0 78.41 MedChemEx HY-N0243 Theaflavin 564.127 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc(cc12)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O SPQUOZYCYRJYJU-ZKSIBHASSA-N BRD-K34888156-213-01-4 theobromine 0 98.78 MicroSource 1500649 THEOBROMINE 180.065 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 YAPQBXQYLJRXSA-UHFFFAOYSA-N 5429 BRD-K34888156-001-12-9 theobromine 0 96.61 MedChemEx HY-N0138 Theobromine 180.065 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 YAPQBXQYLJRXSA-UHFFFAOYSA-N 5429 BRD-K34888156-001-11-2 theobromine 0 95.14 Selleck S2368 Theobromine 180.065 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 YAPQBXQYLJRXSA-UHFFFAOYSA-N 5429 BRD-K38380126-001-04-9 thiamet-g 0 89.66 Tocris 4390 Thiamet G 248.083 CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |t:3| PPAIMZHKIXDJRN-FMDGEEDCSA-N 24808478 BRD-K38380126-001-02-2 thiamet-g 0 82.81 Tocris 4390 Thiamet G 248.083 CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |t:3| PPAIMZHKIXDJRN-FMDGEEDCSA-N 24808478 BRD-K38380126-001-01-4 thiamet-g 0 95.3 Selleck S7213 Thiamet G 248.083 CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |t:3| PPAIMZHKIXDJRN-FMDGEEDCSA-N 24808478 BRD-K95785345-003-16-9 thiamine 0 68.1 MedChemEx HY-A0100 Thiamine monochloride 265.112 Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N JZRWCGZRTZMZEH-UHFFFAOYSA-N 1130 BRD-K95785345-300-15-5 thiamine 0 90.48 MicroSource 1505464 THIAMINE 265.112 Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N JZRWCGZRTZMZEH-UHFFFAOYSA-N 1130 BRD-K95785345-300-14-8 thiamine 0 96.41 Selleck S3211 Thiamine HCl (Vitamin B1) 265.112 Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N JZRWCGZRTZMZEH-UHFFFAOYSA-N 1130 BRD-A09994331-003-02-4 thiamine-pyrophosphate 0 0 ChemImpex 461 Thiamine pyrophosphate 425.045 Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N |&1:6| AYEKOFBPNLCAJY-UHFFFAOYSA-O 1132 BRD-K79711234-001-18-3 thiamphenicol 0 98.69 MicroSource 1503136 THIAMPHENICOL 355.005 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl OTVAEFIXJLOWRX-NXEZZACHSA-N 27200 BRD-K79711234-001-20-9 thiamphenicol 0 93.07 MedChemEx HY-B0479 Thiamphenicol 355.005 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl OTVAEFIXJLOWRX-NXEZZACHSA-N 27200 BRD-K79711234-001-17-5 thiamphenicol 0 95.24 Selleck S2583 Thiamphenicol 355.005 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl OTVAEFIXJLOWRX-NXEZZACHSA-N 27200 BRD-A23970436-236-04-2 thiamylal 0 52.77 MicroSource 1900002 THIAMYLAL SODIUM 254.109 "CCC[C@@H](C)C1(CC=C)C(=O)NC(=S)NC1=O |&1:3,&2:5|" XLOMZPUITCYLMJ-MRVPVSSYSA-N 3033021 BRD-K03164761-001-04-9 thiazovivin 0 95.64 Tocris 3845 Thiazovivin 311.084 O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1 DOBKQCZBPPCLEG-UHFFFAOYSA-N 46209426 BRD-K03164761-001-02-1 thiazovivin 0 96.94 Selleck S1459 Thiazovivin 311.084 O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1 DOBKQCZBPPCLEG-UHFFFAOYSA-N 46209426 BRD-K69600043-001-08-9 thiethylperazine 0 93.3 AMS 10232 Thiethylperazine 399.18 CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 XCTYLCDETUVOIP-UHFFFAOYSA-N 5440 BRD-K69600043-328-05-5 thiethylperazine 0 91.84 Prestwick Prestw-1068 Thiethylperazine dimalate 399.18 CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 XCTYLCDETUVOIP-UHFFFAOYSA-N 5440 BRD-K69600043-328-09-9 thiethylperazine 0 81.1 Toronto t344495 thiethylperazine dimalate 399.18 CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 XCTYLCDETUVOIP-UHFFFAOYSA-N 5440 BRD-K26619122-001-02-1 thiocolchicoside 0 96.58 Prestwick Prestw-539 Thiocolchicoside 563.183 COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC LEQAKWQJCITZNK-AXHKHJLKSA-N 9915886 BRD-K26619122-001-03-9 thiocolchicoside 0 38.67 Sigma SML1476-5MG Thiocolchiside 563.183 COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC LEQAKWQJCITZNK-AXHKHJLKSA-N 9915886 BRD-A16347691-001-13-1 thioctic-acid 0 94.83 MicroSource 1503941 THIOCTIC ACID 206.044 "OC(=O)CCCC[C@H]1CCSS1 |&1:7,r|" AGBQKNBQESQNJD-ZETCQYMHSA-N 445125 BRD-K54521836-001-02-1 thiodiglycol 0 95.75 MicroSource 1503325 THIODIGLYCOL 122.04 OCCSCCO YODZTKMDCQEPHD-UHFFFAOYSA-N 5447 BRD-K54521836-001-03-9 thiodiglycol 0 0 Oakwood 95104 "2,2'-thiodiethanol" 122.04 OCCSCCO YODZTKMDCQEPHD-UHFFFAOYSA-N 5447 BRD-K49350383-001-15-2 thioguanine 0 99.23 MicroSource 1504530 TIOGUANINE 167.027 Nc1nc2nc[nH]c2c(=S)[nH]1 WYWHKKSPHMUBEB-UHFFFAOYSA-N 2723601 BRD-K49350383-001-13-7 thioguanine 0 100 Selleck S1774 Thioguanine 167.027 Nc1nc2nc[nH]c2c(=S)[nH]1 WYWHKKSPHMUBEB-UHFFFAOYSA-N 2723601 BRD-K49350383-001-14-5 thioguanine 0 100 MicroSource 1500573 THIOGUANINE 167.027 Nc1nc2nc[nH]c2c(=S)[nH]1 WYWHKKSPHMUBEB-UHFFFAOYSA-N 2723601 BRD-K61443650-236-14-9 thiomersal 0 98.29 MedChemEx HY-19588 Thimerosal 384.011 CC[Hg]Sc1ccccc1C(O)=O HXQVQGWHFRNKMS-UHFFFAOYSA-M 67361 BRD-K61443650-236-13-1 thiomersal 0 95.81 MicroSource 1500572 THIMEROSAL 384.011 CC[Hg]Sc1ccccc1C(O)=O HXQVQGWHFRNKMS-UHFFFAOYSA-M 67361 BRD-A72603112-236-05-7 thiopental 0 61.09 Key KS-1432 "5-ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione" 242.109 "CCC[C@@H](C)C1(CC)C(=O)NC(=S)NC1=O |&1:3,&2:5|" IUJDSEJGGMCXSG-SSDOTTSWSA-N 3033017 BRD-A72603112-236-04-0 thiopental 0 63.17 MicroSource 1900005 THIOPENTAL SODIUM 242.109 "CCC[C@@H](C)C1(CC)C(=O)NC(=S)NC1=O |&1:3,&2:5|" IUJDSEJGGMCXSG-SSDOTTSWSA-N 3033017 BRD-A85424553-001-07-9 thioperamide 0 95.41 Tocris 644 Thioperamide 292.172 "S=C(NC1CCCCC1)N1CCC(CC1)[C@H]1C=NC=N1 |r,c:18,20|" JFAYRTHYLOZRNL-CQSZACIVSA-N 6604452 BRD-K90168339-001-09-4 thiophanate 0 94.28 Sigma MFCD00055294 methyl [2-({[(methoxycarbonyl)amino]carbothioyl}amino)anilino]carbothioylcarbamate 342.046 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC QGHREAKMXXNCOA-UHFFFAOYSA-N 3032791 BRD-K90168339-001-08-6 thiophanate 0 80.69 MicroSource 1503974 THIOPHANATE 342.046 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC QGHREAKMXXNCOA-UHFFFAOYSA-N 3032791 BRD-K08619574-001-07-9 thioproperazine 0 97.81 Sigma MFCD00867741 "N,N-dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine-2-sulfonamide" 446.181 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 VZYCZNZBPPHOFY-UHFFFAOYSA-N 9429 BRD-K08619574-334-05-4 thioproperazine 0 77.82 Prestwick Prestw-149 Thioproperazine dimesylate 446.181 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 VZYCZNZBPPHOFY-UHFFFAOYSA-N 9429 BRD-A84481105-003-31-3 thioridazine 0 94.6 Selleck S4374 Thioridazine HCl 370.154 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 KLBQZWRITKRQQV-UHFFFAOYSA-N 66062 BRD-A84481105-003-32-1 thioridazine 0 75.46 MicroSource 1500575 THIORIDAZINE HYDROCHLORIDE 370.154 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 KLBQZWRITKRQQV-UHFFFAOYSA-N 66062 BRD-A56012032-001-14-8 thiorphan 0 0 Enzo PI113 Thiorphan (DL) 253.077 "OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 |&1:7,r|" LJJKNPQAGWVLDQ-SNVBAGLBSA-N 4369380 BRD-A56012032-001-15-5 thiorphan 0 38.61 Sigma T6031 [(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid 253.077 "OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 |&1:7,r|" LJJKNPQAGWVLDQ-SNVBAGLBSA-N 4369380 BRD-K58049875-001-03-9 thiostrepton 0 96.6 MedChemEx HY-B0990 Thiostrepton 1663.492 "CC[C@H](C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]2NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)\C(NC(=O)[C@@H](NC(=O)c3csc(n3)[C@]3(CCC(=N[C@@H]3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)[C@H](C)O |c:7,41,61|" NSFFHOGKXHRQEW-AIHSUZKVSA-N 16154490 BRD-A89819812-001-02-8 BRD-K58049875-001-01-3 thiostrepton 0 91.54 MedChemEx HY-B0990 Thiostrepton 1663.492 "CC[C@H](C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]2NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)\C(NC(=O)[C@@H](NC(=O)c3csc(n3)[C@]3(CCC(=N[C@@H]3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)[C@H](C)O |c:7,41,61|" NSFFHOGKXHRQEW-AIHSUZKVSA-N 16154490 BRD-A86083681-001-01-4 BRD-K58049875-001-02-1 thiostrepton 0 72.2 Selleck S4354 thiostrepton 1663.492 "CC[C@H](C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]2NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)\C(NC(=O)[C@@H](NC(=O)c3csc(n3)[C@]3(CCC(=N[C@@H]3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)[C@H](C)O |c:7,41,61|" NSFFHOGKXHRQEW-AIHSUZKVSA-N 16154490 BRD-A91347104-001-01-5 BRD-K58049875-001-04-7 thiostrepton 0 78.02 Selleck S4354 Thiostrepton 1663.492 "CC[C@H](C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]2NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)\C(NC(=O)[C@@H](NC(=O)c3csc(n3)[C@]3(CCC(=N[C@@H]3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)[C@H](C)O |c:7,41,61|" NSFFHOGKXHRQEW-AIHSUZKVSA-N 16154490 BRD-A89819812-001-01-0|BRD-A51799737-001-01-0 BRD-K09631521-001-12-3 thiotepa 0 83.39 MedChemEx HY-17574 Thio-TEPA 189.049 S=P(N1CC1)(N1CC1)N1CC1 FOCVUCIESVLUNU-UHFFFAOYSA-N 5453 BRD-K09631521-001-09-9 thiotepa 0 42.47 MicroSource 1503324 THIOTEPA 189.049 S=P(N1CC1)(N1CC1)N1CC1 FOCVUCIESVLUNU-UHFFFAOYSA-N 5453 BRD-K09631521-001-11-5 thiotepa 0 69.58 MedChemEx HY-17574 Thio-TEPA 189.049 S=P(N1CC1)(N1CC1)N1CC1 FOCVUCIESVLUNU-UHFFFAOYSA-N 5453 BRD-K04175245-001-14-9 thiothixene 0 96.15 MedChemEx HY-108324 (Z)-Thiothixene 443.17 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 GFBKORZTTCHDGY-UWVJOHFNSA-N 941651 BRD-K29254801-001-14-7 thiram 0 97.98 MicroSource 1503322 THIRAM 239.988 CN(C)C(=S)SSC(=S)N(C)C KUAZQDVKQLNFPE-UHFFFAOYSA-N 5455 BRD-K00003401-001-01-9 THK5351 0 96.78 MedChemEx HY-101183 THK5351 327.138 CNc1ccc(cn1)-c1ccc2cc(OC[C@H](O)CF)ccc2n1 DLVXFZWSPCOWSN-CQSZACIVSA-N 91936858 BRD-K13387373-004-16-9 thonzonium 0 91.35 MedChemEx HY-B1246 Thonzonium (bromide) 511.438 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 IOYZYMQFUSNATM-UHFFFAOYSA-N 5456 BRD-K13387373-004-15-2 thonzonium 0 88.27 MicroSource 1503873 THONZONIUM BROMIDE 511.438 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 IOYZYMQFUSNATM-UHFFFAOYSA-N 5456 BRD-K13387373-004-14-5 thonzonium 0 94.95 Selleck S4355 Thonzonium Bromide 511.438 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 IOYZYMQFUSNATM-UHFFFAOYSA-N 5456 BRD-K88405679-003-03-1 thonzylamine 0 91.69 MicroSource 1503135 THONZYLAMINE HYDROCHLORIDE 286.179 COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 GULNIHOSWFYMRN-UHFFFAOYSA-N 5457 BRD-K88405679-001-04-9 thonzylamine 0 WuXi EW21509-13-P1 THONZYLAMINE 286.179 COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 GULNIHOSWFYMRN-UHFFFAOYSA-N 5457 BRD-M01344114-348-01-0 threo-2-methylisocitrate-(DL) 0 93.35 MedChemEx HY-16581A DL-threo-2-methylisocitrate (sodium) 206.043 "[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].CC(O)([C@@H](CC(O)=O)C(O)=O)C(O)=O.CC(O)([C@H](CC(O)=O)C(O)=O)C(O)=O |a:9,23,&1:7,&2:21|" ZSOGGZWFKNMGJN-WREOTHMNSA-N BRD-K00004602-001-01-9 thymalfasin 0 100 Key HS-2030 "(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S)-2-((S)-2-acetamido-3-hydroxypropanamido)-82-amino-38,47,53,56-tetrakis(4-aminobutyl)-29-sec-b" 3106.504 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O NZVYCXVTEHPMHE-ZSUJOUNUSA-N 16130571 BRD-K17458574-001-07-7 thymol 0 0 Enamine Z57127464 150.104 CC(C)c1ccc(C)cc1O MGSRCZKZVOBKFT-UHFFFAOYSA-N 6989 BRD-K17458574-001-08-9 thymol 0 0 Sigma MFCD00002309 Thymol 150.104 CC(C)c1ccc(C)cc1O MGSRCZKZVOBKFT-UHFFFAOYSA-N 6989 BRD-K36617478-001-01-5 thymol-iodide 0 50.02 SantaCruz sc-215985 Thymol iodide 549.987 CC(C)c1cc(c(C)cc1OI)-c1cc(C(C)C)c(OI)cc1C SHOKWSLXDAIZPP-UHFFFAOYSA-N 11088 BRD-K43977121-001-06-9 thymopentin 0 94.22 Key HS-2029 "(6S,9S,12S,15S,18S)-1,6-diamino-9-(4-aminobutyl)-12-(carboxymethyl)-18-(4-hydroxybenzyl)-1-imino-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecan-19-oic acid" 679.365 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O PSWFFKRAVBDQEG-YGQNSOCVSA-N 451417 BRD-K66401437-001-03-3 THZ1 0 92.24 MedChemEx HY-80013 THZ1 565.199 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 OBJNFLYHUXWUPF-IZZDOVSWSA-N 73602827 BRD-K02135007-001-01-8 THZ1-R 0 90.43 MedChemEx HY-19988 THZ1-R 567.215 CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 TUERFPPIPKZNKE-UHFFFAOYSA-N 119081415 BRD-K95902121-001-01-0 THZ2 0 91.43 MedChemEx HY-12280 THZ2 565.199 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 FONRCZUZCHXWBD-VGOFMYFVSA-N 78357763 BRD-K77695569-001-33-9 tiabendazole 0 97.54 MedChemEx HY-B0263 Thiabendazole 201.036 c1nc(cs1)-c1nc2ccccc2[nH]1 WJCNZQLZVWNLKY-UHFFFAOYSA-N 5430 BRD-K77695569-001-29-2 tiabendazole 0 97.95 Selleck S1739 Thiabendazole 201.036 c1nc(cs1)-c1nc2ccccc2[nH]1 WJCNZQLZVWNLKY-UHFFFAOYSA-N 5430 BRD-K77695569-001-30-0 tiabendazole 0 99.12 MicroSource 1500570 THIABENDAZOLE 201.036 c1nc(cs1)-c1nc2ccccc2[nH]1 WJCNZQLZVWNLKY-UHFFFAOYSA-N 5430 BRD-K60160658-003-12-0 tiagabine 0 87.28 Tocris 4256 Tiagabine hydrochloride 375.133 Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C PBJUNZJWGZTSKL-MRXNPFEDSA-N 60648 BRD-K60160658-003-11-2 tiagabine 0 95.06 Enzo AC3267 TIAGABINE HYDROCHLORIDE 375.133 Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C PBJUNZJWGZTSKL-MRXNPFEDSA-N 60648 BRD-K01826304-001-01-9 tianeptine 0 98.15 MedChemEx HY-90003 Tianeptine 436.122 "CN1c2ccccc2[C@@H](NCCCCCCC(O)=O)c2ccc(Cl)cc2S1(=O)=O |&1:8,r|" JICJBGPOMZQUBB-OAQYLSRUSA-N 37888263 BRD-K01826304-001-02-9 tianeptine 0 97.87 MedChemEx HY-90003 Tianeptine 436.122 "CN1c2ccccc2[C@@H](NCCCCCCC(O)=O)c2ccc(Cl)cc2S1(=O)=O |&1:8,r|" JICJBGPOMZQUBB-OAQYLSRUSA-N 37888263 BRD-K57432881-003-21-8 tiapride 0 98.27 MicroSource 1503086 TIAPRIDE HYDROCHLORIDE 328.146 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O JTVPZMFULRWINT-UHFFFAOYSA-N 5467 BRD-K57432881-003-22-9 tiapride 0 97.11 MedChemEx HY-B1196 Tiapride (hydrochloride) 328.146 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O JTVPZMFULRWINT-UHFFFAOYSA-N 5467 BRD-A72988804-001-11-1 tiaprofenic-acid 0 94.01 Sigma MFCD00866089 2-(5-benzoyl-2-thienyl)propanoic acid 260.051 "C[C@@H](C(O)=O)c1ccc(s1)C(=O)c1ccccc1 |&1:1,r|" GUHPRPJDBZHYCJ-SECBINFHSA-N 181380 BRD-A72988804-001-10-3 tiaprofenic-acid 0 70.18 Prestwick Prestw-496 Tiaprofenic acid 260.051 "C[C@@H](C(O)=O)c1ccc(s1)C(=O)c1ccccc1 |&1:1,r|" GUHPRPJDBZHYCJ-SECBINFHSA-N 181380 BRD-K27293958-001-01-5 tiaramide 0 99.54 Sigma PH010339 "5-chloro-3-{2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-1,3-benzothiazol-2(3H)-one" 355.076 OCCN1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O HTJXMOGUGMSZOG-UHFFFAOYSA-N 5469 BRD-A82522119-001-01-7 tibolone 0 93.9 MicroSource 1502343 TIBOLONE 312.209 "C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@H](CC[C@@]3(O)C#C)[C@@H]12 |a:1,10,13,15,18,&1:22,t:3|" WZDGZWOAQTVYBX-TZTUDTKPSA-N 124484332 BRD-K19939891-001-05-4 TIC10 0 95.04 Selleck S7127 TIC10 386.211 "Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2 |c:18,t:10|" RSAQARAFWMUYLL-UHFFFAOYSA-N 336423 BRD-K19939891-001-06-9 TIC10 0 90.3 MedChemEx HY-15615 TIC10 isomer 386.211 "Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2 |c:18,t:10|" RSAQARAFWMUYLL-UHFFFAOYSA-N 336423 BRD-K25838957-001-02-9 ticagrelor 0 97.4 MedChemEx HY-10064 Ticagrelor 522.186 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 OEKWJQXRCDYSHL-FNOIDJSQSA-N 9871419 BRD-K29229654-304-04-6 ticarcillin 0 0 MicroSource 1505678 TICARCILLIN DISODIUM 384.045 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O OHKOGUYZJXTSFX-KZFFXBSXSA-N 36921 BRD-A91757199-001-01-1 BRD-K29229654-304-02-0 ticarcillin 0 0 Selleck S3193 Ticarcillin sodium 384.045 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O OHKOGUYZJXTSFX-KZFFXBSXSA-N 36921 BRD-A91757199-304-01-9 BRD-K29229654-304-03-8 ticarcillin 0 0 Selleck S3193 Ticarcillin sodium 384.045 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O OHKOGUYZJXTSFX-KZFFXBSXSA-N 36921 BRD-A91757199-304-02-7 BRD-K29229654-304-05-3 ticarcillin 0 0 MedChemEx HY-B1175 Ticarcillin (disodium) 384.045 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O OHKOGUYZJXTSFX-KZFFXBSXSA-N 36921 BRD-K00603606-003-24-0 ticlopidine 0 98.54 MicroSource 1505677 TICLOPIDINE HYDROCHLORIDE 263.054 Clc1ccccc1CN1CCc2sccc2C1 PHWBOXQYWZNQIN-UHFFFAOYSA-N 5472 BRD-K00603606-003-23-2 ticlopidine 0 96.47 Selleck S1984 Ticlopidine HCl 263.054 Clc1ccccc1CN1CCc2sccc2C1 PHWBOXQYWZNQIN-UHFFFAOYSA-N 5472 BRD-K00603606-003-25-9 ticlopidine 0 94.92 Tocris 3931 Ticlopidine hydrochloride 263.054 Clc1ccccc1CN1CCc2sccc2C1 PHWBOXQYWZNQIN-UHFFFAOYSA-N 5472 BRD-K81330143-001-02-2 tideglusib 0 0 Selleck S2823 Tideglusib 334.078 O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 PMJIHLSCWIDGMD-UHFFFAOYSA-N 11313622 BRD-K81330143-001-04-8 tideglusib 0 96.84 Selleck S2823 Tideglusib 334.078 O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 PMJIHLSCWIDGMD-UHFFFAOYSA-N 11313622 BRD-K81330143-001-06-9 tideglusib 0 92.51 MedChemEx HY-14872 Tideglusib 334.078 O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 PMJIHLSCWIDGMD-UHFFFAOYSA-N 11313622 BRD-A92800748-001-05-5 tie2-kinase-inhibitor 0 93.92 Selleck S1577 Tie2 kinase inhibitor 439.135 COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)[S@@](C)=O |r| SINQIEAULQKUPD-JGCGQSQUSA-N 92852530 BRD-K34098590-001-02-1 tienilic-acid 0 99.37 Sigma MFCD00867339 "[2,3-dichloro-4-(2-thienylcarbonyl)phenoxy]acetic acid" 329.952 OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl AGHANLSBXUWXTB-UHFFFAOYSA-N 38409 BRD-K20568871-001-01-1 tifenazoxide 0 94.29 Sigma SML0553 "6-chloro-N-(1-methylcyclopropyl)-4H-thieno[3,2-e][1,2,4]thiadiazin-3-amine 1,1-dioxide" 290.99 CC1(CC1)NC1=NS(=O)(=O)c2sc(Cl)cc2N1 |t:6| KYSFUHHFTIGRJN-UHFFFAOYSA-N 135410911 BRD-K00003349-001-01-9 tigecycline 0 0 MedChemEx HY-B0117 Tigecycline 585.28 "[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)[C@@H]1C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |&1:28,&2:21|" CGZOGNUFXMNYEI-PBZRBWFISA-N BRD-K36796419-011-03-9 tilmicosin 0 67.94 MedChemEx HY-B0905A Tilmicosin (phosphate) 868.566 "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |t:43,46|" JTSDBFGMPLKDCD-UYPDHHONSA-N 16225190 BRD-K34568562-300-05-9 tilorone 0 93.55 MedChemEx HY-B1080 Tilorone (dihydrochloride) 410.257 CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1 MPMFCABZENCRHV-UHFFFAOYSA-N 5475 BRD-K34568562-001-04-3 tilorone 0 86.28 MicroSource 2300009 TILORONE 410.257 CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1 MPMFCABZENCRHV-UHFFFAOYSA-N 5475 BRD-K10845183-304-01-6 tiludronate 0 100 Enzo AC3269 TILUDRONATE DISODIUM 317.928 OP(O)(=O)C(Sc1ccc(Cl)cc1)P(O)(O)=O DKJJVAGXPKPDRL-UHFFFAOYSA-N 60937 BRD-A64406146-001-01-2 timofibrate 0 98.06 Enamine Z398944758 329.049 "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(O)=O |&1:17,r|" QSNOWCXXECLALL-LLVKDONJSA-N 51371472 BRD-A64406146-001-02-9 timofibrate 0 Broad Institute Timofibrate Timofibrate 329.049 "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(O)=O |&1:17,r|" QSNOWCXXECLALL-LLVKDONJSA-N 51371472 BRD-K08806317-050-30-9 timolol 0 84.93 Tocris 649 (S)-Timolol maleate 316.157 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 BLJRIMJGRPQVNF-JTQLQIEISA-N 33624 BRD-K08806317-050-29-1 timolol 0 94.28 Tocris 649 (S)-Timolol maleate 316.157 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 BLJRIMJGRPQVNF-JTQLQIEISA-N 33624 BRD-K08806317-051-01-8 timolol 0 91.13 Selleck S4123 Timolol Maleate 316.157 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 BLJRIMJGRPQVNF-JTQLQIEISA-N 33624 BRD-K00003683-001-01-9 timonacic 0 100 MedChemEx HY-B1169 Timonacic 133.02 OC(=O)[C@H]1CSCN1 |&1:3| DZLNHFMRPBPULJ-GSVOUGTGSA-N 6973610 BRD-K00004663-001-01-9 tinazoline 0 44.23 Enamine Z2306534731 "3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole" 217.067 C1CN=C(N1)Sc1c[nH]c2ccccc12 |c:2| JENBDJGHNIOHAJ-UHFFFAOYSA-N 68818 BRD-K89125793-001-31-9 tinidazole 0 75.17 MedChemEx HY-B0177 Tinidazole 247.063 CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O HJLSLZFTEKNLFI-UHFFFAOYSA-N 5479 BRD-K89125793-001-25-2 tinidazole 0 89.68 Selleck S4068 Tinidazole 247.063 CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O HJLSLZFTEKNLFI-UHFFFAOYSA-N 5479 BRD-K89125793-001-26-0 tinidazole 0 97.63 MicroSource 1502127 TINIDAZOLE 247.063 CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O HJLSLZFTEKNLFI-UHFFFAOYSA-N 5479 BRD-K89125793-001-27-8 tinidazole 0 98.57 Selleck S4068 Tinidazole 247.063 CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O HJLSLZFTEKNLFI-UHFFFAOYSA-N 5479 BRD-K84313779-003-03-9 tinoridine 0 94.02 MedChemEx HY-111354 Tinoridine hydrochloride 316.125 CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 PFENFDGYVLAFBR-UHFFFAOYSA-N 5480 BRD-K00003630-001-01-9 tioconazole 0 98.21 MedChemEx HY-B0319 Tioconazole 385.981 Clc1sccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |&1:8| QXHHHPZILQDDPS-HNNXBMFYSA-N 28125518 BRD-K75649340-001-13-1 tioguanine 0 100 Prestwick Prestw-347 Thioguanosine 299.069 Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 OTDJAMXESTUWLO-UUOKFMHZSA-N 2724387 BRD-K75649340-002-14-9 tioguanine 0 100 Toronto A611850 2-amino-6-mercaptopurine-D-riboside hydrate 299.069 Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 OTDJAMXESTUWLO-UUOKFMHZSA-N 2724387 BRD-A85295731-001-06-4 tiopronin 0 91.45 MedChemEx HY-B0373 Tiopronin 163.03 "C[C@@H](S)C(=O)NCC(O)=O |&1:1,r|" YTGJWQPHMWSCST-GSVOUGTGSA-N 208825 BRD-A85295731-001-05-6 tiopronin 0 85.3 Sigma MFCD00004861 [(2-sulfanylpropanoyl)amino]acetic acid 163.03 "C[C@@H](S)C(=O)NCC(O)=O |&1:1,r|" YTGJWQPHMWSCST-GSVOUGTGSA-N 208825 BRD-A85295731-001-03-1 tiopronin 0 47.22 MicroSource 1506190 TIOPRONIN 163.03 "C[C@@H](S)C(=O)NCC(O)=O |&1:1,r|" YTGJWQPHMWSCST-GSVOUGTGSA-N 208825 BRD-A85295731-001-02-3 tiopronin 0 63.22 Selleck S2062 Tiopronin 163.03 "C[C@@H](S)C(=O)NCC(O)=O |&1:1,r|" YTGJWQPHMWSCST-GSVOUGTGSA-N 208825 BRD-A85295731-001-04-9 tiopronin 0 59.81 Selleck S2062 Tiopronin (Thiola) 163.03 "C[C@@H](S)C(=O)NCC(O)=O |&1:1,r|" YTGJWQPHMWSCST-GSVOUGTGSA-N 208825 BRD-K11107424-001-02-9 tiotidine 0 96.18 Tocris 826 Tiotidine 312.094 CN=C(NCCSCc1csc(NC(N)=N)n1)NC#N YDDXVAXDYKBWDX-UHFFFAOYSA-N 50287 BRD-K62782754-337-02-5 tiotropium 0 90.47 Selleck S2547 Tiotropium Bromide hydrate 392.099 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 LERNTVKEWCAPOY-DZZGSBJMSA-N BRD-K62782754-337-03-3 tiotropium 0 93.69 Selleck S2547 Tiotropium Bromide hydrate 392.099 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 LERNTVKEWCAPOY-DZZGSBJMSA-N BRD-K41876534-001-14-9 tioxolone 0 91.59 MedChemEx HY-B0483 Tioxolone 167.988 Oc1ccc2sc(=O)oc2c1 SLYPOVJCSQHITR-UHFFFAOYSA-N 72139 BRD-K41876534-001-13-7 tioxolone 0 93.15 MicroSource 1503094 TIOXOLONE 167.988 Oc1ccc2sc(=O)oc2c1 SLYPOVJCSQHITR-UHFFFAOYSA-N 72139 BRD-K41876534-001-12-9 tioxolone 0 90.58 Selleck S2603 Tioxolone 167.988 Oc1ccc2sc(=O)oc2c1 SLYPOVJCSQHITR-UHFFFAOYSA-N 72139 BRD-K00004627-001-01-9 tipelukast 0 97.11 Sigma SML2369 4-(6-acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid 530.234 CCCc1c(O)c(ccc1SCCCOc1ccc(C(C)=O)c(OCCCC(O)=O)c1CCC)C(C)=O KPWYNAGOBXLMSE-UHFFFAOYSA-N 9893228 BRD-K62965247-001-04-9 tipifarnib 0 96.02 Selleck S1453 Tipifarnib 488.117 Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 PLHJCIYEEKOWNM-HHHXNRCGSA-N 159324 BRD-K62965247-001-05-6 tipifarnib 0 99.07 Selleck S1453 Tipifarnib 488.117 Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 "InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1" 159324 BRD-K11973162-003-02-9 tipiracil 0 90.4 MedChemEx HY-A0063 Tipiracil (hydrochloride) 242.057 Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O QQHMKNYGKVVGCZ-UHFFFAOYSA-N 6323266 BRD-K11973162-003-01-8 tipiracil 0 100 MedChemEx HY-A0063 Tipiracil (hydrochloride) 242.057 Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O QQHMKNYGKVVGCZ-UHFFFAOYSA-N 6323266 BRD-K30882994-001-02-4 tiplaxtinin 0 90.86 Tocris 5565 Tiplaxtinin 439.103 OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1 ODXQFEWQSHNQNI-UHFFFAOYSA-N 6450819 BRD-K30882994-001-01-6 tiplaxtinin 0 91.15 MedChemEx HY-15253 Tiplaxtinin 439.103 OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1 ODXQFEWQSHNQNI-UHFFFAOYSA-N 6450819 BRD-A10039652-001-02-0 tipranavir 0 88.06 MedChemEx HY-15148 Tipranavir 602.206 "CCC[C@@]1(CCc2ccccc2)CC(=O)[C@@H]([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |a:3,16,&1:15|" MYXACKZCYFKMTE-WWKQIGMOSA-N BRD-A10039652-001-01-2 tipranavir 0 86.82 MedChemEx HY-15148 Tipranavir 602.206 "CCC[C@@]1(CCc2ccccc2)CC(=O)[C@@H]([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |a:3,16,&1:15|" MYXACKZCYFKMTE-WWKQIGMOSA-N BRD-A10039652-001-03-9 tipranavir 0 85.3 MedChemEx HY-15148 Tipranavir 602.206 "CCC[C@@]1(CCc2ccccc2)CC(=O)[C@@H]([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |a:3,16,&1:15|" MYXACKZCYFKMTE-WWKQIGMOSA-N BRD-A73566563-001-01-6 tiprenolol 0 96.46 Enamine Z2301686183 1-(isopropylamino)-3-[2-(methylsulfanyl)phenoxy]-2-propanol 255.129 "CSc1ccccc1OC[C@@H](O)CNC(C)C |&1:10,r|" CSUNLSYSEQIDMO-NSHDSACASA-N 76966339 BRD-K77552740-004-01-0 tiquizium 0 97.14 AKSci R610 330.135 C[N@+]12CCCC[C@@H]1CCC(C2)=C(c1cccs1)c1cccs1 ZGSDGGRVFIYKKE-OXQOHEQNSA-N 72160 BRD-K75250001-001-01-3 tiracizine 0 98.01 ChemDiv 4119-0057 367.19 CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1 KJAMZCVTJDTESW-UHFFFAOYSA-N 71264 BRD-K92968657-001-02-4 tirapazamine 0 94.15 Adooq A12754 "4-hydroxy-3-imino-3,4-dihydrobenzo[e][1,2,4]triazine 1-oxide" 178.049 Nc1n[n+]([O-])c2ccccc2[n+]1[O-] ORYDPOVDJJZGHQ-UHFFFAOYSA-N 135413511 BRD-K75058612-001-01-1 BRD-K92968657-001-01-6 tirapazamine 0 95.16 MedChemEx HY-13767 Tirapazamine 178.049 Nc1n[n+]([O-])c2ccccc2[n+]1[O-] ORYDPOVDJJZGHQ-UHFFFAOYSA-N 135413511 BRD-K51087630-001-01-6 tirasemtiv 0 99.62 MedChemEx HY-15964 Tirasemtiv 230.117 CCC(CC)n1c2nc(cnc2[nH]c1=O)C#C RSQGZEAXODVTOL-UHFFFAOYSA-N 23729157 BRD-K51087630-001-02-9 tirasemtiv 0 97.78 MedChemEx HY-15964 Tirasemtiv 230.117 CCC(CC)n1c2nc(cnc2[nH]c1=O)C#C RSQGZEAXODVTOL-UHFFFAOYSA-N 23729157 BRD-K61236135-001-08-2 tiratricol 0 92.5 Selleck s4185 Tiratricol 621.763 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 UOWZUVNAGUAEQC-UHFFFAOYSA-N 5803 BRD-K61236135-001-09-0 tiratricol 0 86.7 MicroSource 1506047 TIRATRICOL 621.763 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 UOWZUVNAGUAEQC-UHFFFAOYSA-N 5803 BRD-K61236135-001-10-8 tiratricol 0 88.86 Selleck S4185 "Tiratricol, 3,3',5-triiodothyroacetic acid" 621.763 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 UOWZUVNAGUAEQC-UHFFFAOYSA-N 5803 BRD-K37872686-003-01-9 tirofiban 0 97.97 Enzo AC3271 TIROFIBAN HYDROCHLORIDE 440.234 CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O COKMIXFXJJXBQG-NRFANRHFSA-N 60947 BRD-K60284353-001-02-9 titanocene-dichloride 0 44.98 Sigma 324826-10G Bis(cyclopentadienyl)titaniumIVdichloride 247.964 "Cl[Ti](Cl)(C1C=CC=C1)C1C=CC=C1 |c:4,6,10,12|" XKLWATAZDMHTSH-UHFFFAOYSA-L 11075829 BRD-K60284353-001-01-3 titanocene-dichloride 0 98.9 Oakwood 99333 "dichloro[di(2,4-cyclopentadien-1-yl)]titanium" 247.964 "Cl[Ti](Cl)(C1C=CC=C1)C1C=CC=C1 |c:4,6,10,12|" XKLWATAZDMHTSH-UHFFFAOYSA-L 11075829 BRD-K33379087-001-07-5 tivantinib 0 98.79 MedChemEx HY-50686 Tivantinib 369.148 O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 UCEQXRCJXIVODC-PMACEKPBSA-N 11494412 BRD-K53414658-001-08-2 tivozanib 0 97.41 Selleck S1207 Tivozanib (AV-951) 454.104 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC SPMVMDHWKHCIDT-UHFFFAOYSA-N 9911830 BRD-K53414658-001-02-5 tivozanib 0 Selleck S1207 AV-951(Tivozanib) 454.104 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC SPMVMDHWKHCIDT-UHFFFAOYSA-N 9911830 BRD-K06335600-003-22-3 tizanidine 0 94.26 Tocris 3609 Tizanidine hydrochloride 253.019 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13| XFYDIVBRZNQMJC-UHFFFAOYSA-N 5487 BRD-K06335600-003-20-7 tizanidine 0 98.81 Tocris 3609 Tizanidine hydrochloride 253.019 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13| XFYDIVBRZNQMJC-UHFFFAOYSA-N 5487 BRD-K06335600-003-19-9 tizanidine 0 96.85 Selleck S1437 Tizanidine HCl 253.019 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13| XFYDIVBRZNQMJC-UHFFFAOYSA-N 5487 BRD-K66097663-001-01-8 TMC-353121 0 93.17 MedChemEx HY-11097 TMC353121 558.332 Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 DKORMNNYNRPTBJ-UHFFFAOYSA-N 11249932 BRD-K66097663-001-02-9 TMC-353121 0 96.14 MedChemEx HY-11097 TMC353121 558.332 Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 DKORMNNYNRPTBJ-UHFFFAOYSA-N 11249932 BRD-K49659468-436-01-2 TMC647055 0 97.37 MedChemEx HY-15591A TMC647055 (Choline salt) 606.251 COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| UOBYJVFBFSLCTQ-UHFFFAOYSA-N 44556044 BRD-K24527118-001-01-6 TMN-355 0 94.31 Tocris 4152 TMN 355 380.073 Fc1cccc(Cl)c1C(=O)NC(=O)NC1c2ccccc2-c2ccccc12 SFNLLCUAISZNRV-UHFFFAOYSA-N 44249042 BRD-K24527118-001-02-9 TMN-355 0 96.06 Tocris 4152 TMN 355 380.073 Fc1cccc(Cl)c1C(=O)NC(=O)NC1c2ccccc2-c2ccccc12 SFNLLCUAISZNRV-UHFFFAOYSA-N 44249042 BRD-K49119234-003-03-4 TMPH 0 92.43 Tocris 2438 TMPH hydrochloride 269.235 CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1 PWWKJRFUJIFGGD-UHFFFAOYSA-N 11207937 BRD-K49119234-003-02-6 TMPH 0 100 Tocris 2438 TMPH hydrochloride 269.235 CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1 PWWKJRFUJIFGGD-UHFFFAOYSA-N 11207937 BRD-K49119234-003-04-9 TMPH 0 100 Tocris 2438 TMPH hydrochloride 269.235 CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1 PWWKJRFUJIFGGD-UHFFFAOYSA-N 11207937 BRD-K96233303-001-02-7 TMS 0 94.2 Tocris 1509 TMS 300.136 COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 JDBCWSHYEQUBLW-AATRIKPKSA-N 5354004 BRD-K96233303-001-03-9 TMS 0 96.72 Tocris 1509 TMS 300.136 COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 JDBCWSHYEQUBLW-AATRIKPKSA-N 5354004 BRD-K96233303-001-01-9 TMS 0 89.41 Tocris 1509 TMS 300.136 COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 JDBCWSHYEQUBLW-AATRIKPKSA-N 5354004 BRD-K53597484-001-02-7 TNP-470 0 75.74 Sigma MFCD00870281 "(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl chloroacetylcarbamate" 401.161 CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl MSHZHSPISPJWHW-PVDLLORBSA-N 369976 BRD-K05619559-001-10-1 tobramycin 0 0 MicroSource 1500579 TOBRAMYCIN 467.259 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O NLVFBUXFDBBNBW-PBSUHMDJSA-N 36294 BRD-K05619559-001-12-7 tobramycin 0 100 Selleck S2514 Tobramycin 467.259 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O NLVFBUXFDBBNBW-PBSUHMDJSA-N 36294 BRD-K96342952-001-01-2 BRD-K01826767-001-05-9 tocainide 0 95.34 Sigma MFCD00072010 TOCAINIDE 192.126 "C[C@@H](N)C(=O)Nc1c(C)cccc1C |&1:1,r|" BUJAGSGYPOAWEI-SECBINFHSA-N 3080825 BRD-K62040061-001-01-0 toceranib 0 92.31 MedChemEx HY-10330 Toceranib 396.196 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1 SRSGVKWWVXWSJT-ATVHPVEESA-N 5329106 BRD-K62040061-011-02-7 toceranib 0 81.99 MedChemEx HY-10330A Toceranib (phosphate) 396.196 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1 SRSGVKWWVXWSJT-ATVHPVEESA-N 5329106 BRD-K62040061-011-01-9 toceranib 0 83.49 MedChemEx HY-10330A Toceranib (phosphate) 396.196 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1 SRSGVKWWVXWSJT-ATVHPVEESA-N 5329106 BRD-K57305459-001-02-9 tocofersolan 0 0 MedChemEx HY-B0717 Tocofersolan 574.423 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(=O)OCCO)c(C)c(C)c2O1 AOBORMOPSGHCAX-AZAGJHQNSA-N 9938056 BRD-K57305459-001-01-4 tocofersolan 0 0 MedChemEx HY-B0717 Tocofersolan 574.423 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(=O)OCCO)c(C)c(C)c2O1 AOBORMOPSGHCAX-AZAGJHQNSA-N 9938056 BRD-U58371969-000-01-8 BRD-K68553471-003-12-3 todralazine 0 89.59 MicroSource 1501174 TODRALAZINE HYDROCHLORIDE 232.096 CCOC(=O)NNc1nncc2ccccc12 WGZDBVOTUVNQFP-UHFFFAOYSA-N 5501 BRD-K31283835-048-03-6 tofacitinib 0 98.2 Tocris 4556 CP 690550 citrate 312.17 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N UJLAWZDWDVHWOW-YPMHNXCESA-N 9926791 BRD-K31283835-001-08-4 tofacitinib 0 96.12 Selleck S2789 "Tofacitinib (CP-690550,Tasocitinib)" 312.17 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N UJLAWZDWDVHWOW-YPMHNXCESA-N 9926791 BRD-K36280065-001-01-1 BRD-K31283835-048-04-4 tofacitinib 0 97.2 Selleck S5001 Tofacitinib (CP-690550) Citrate 312.17 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N UJLAWZDWDVHWOW-YPMHNXCESA-N 9926791 BRD-K36280065-048-01-2 BRD-K94830213-001-01-3 tofisopam 0 80.14 Sigma MFCD00823171 "1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine d_1_" 382.189 "CCC1=C(C)NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc12 |c:2,t:6|" LOUZDJSQOFXLAP-UHFFFAOYSA-N 129009868 BRD-K96344439-002-02-7 tofogliflozin 0 95.64 MedChemEx HY-13413 Tofogliflozin (hydrate) 386.173 CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 VWVKUNOPTJGDOB-BDHVOXNPSA-N 46908929 BRD-K96344439-002-01-9 tofogliflozin 0 94.27 MedChemEx HY-13413 Tofogliflozin (hydrate) 386.173 CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 VWVKUNOPTJGDOB-BDHVOXNPSA-N 46908929 BRD-A60498477-001-01-2 tolamolol 0 94.9 Sigma MFCD00864712 4-(2-{[2-hydroxy-3-(2-methylphenoxy)propyl]amino}ethoxy)benzamide 344.174 "Cc1ccccc1OC[C@@H](O)CNCCOc1ccc(cc1)C(N)=O |&1:9,r|" SKQDKFOTIPJUSV-INIZCTEOSA-N 66743765 BRD-K32164935-001-29-0 tolazamide 0 79.42 Selleck S4356 Tolazamide 311.13 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1 OUDSBRTVNLOZBN-UHFFFAOYSA-N 5503 BRD-K32164935-001-30-8 tolazamide 0 97.65 MicroSource 1501201 TOLAZAMIDE 311.13 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1 OUDSBRTVNLOZBN-UHFFFAOYSA-N 5503 BRD-K32164935-001-31-6 tolazamide 0 94.65 Selleck S4356 tolazamide 311.13 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1 OUDSBRTVNLOZBN-UHFFFAOYSA-N 5503 BRD-K46211610-003-27-9 tolazoline 0 90.75 MedChemEx HY-A0066A Tolazoline (hydrochloride) 160.1 C(C1=NCCN1)c1ccccc1 |t:1| JIVZKJJQOZQXQB-UHFFFAOYSA-N 5504 BRD-K46211610-003-26-7 tolazoline 0 98.11 MicroSource 1500580 TOLAZOLINE HYDROCHLORIDE 160.1 C(C1=NCCN1)c1ccccc1 |t:1| JIVZKJJQOZQXQB-UHFFFAOYSA-N 5504 BRD-K46211610-003-25-9 tolazoline 0 94.27 Selleck S4124 Tolazoline HCl 160.1 C(C1=NCCN1)c1ccccc1 |t:1| JIVZKJJQOZQXQB-UHFFFAOYSA-N 5504 BRD-K85119730-001-31-9 tolbutamide 0 98.46 MedChemEx HY-B0401 Tolbutamide 270.104 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 JLRGJRBPOGGCBT-UHFFFAOYSA-N 5505 BRD-K85119730-001-28-9 tolbutamide 0 98.93 MicroSource 1500581 TOLBUTAMIDE 270.104 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 JLRGJRBPOGGCBT-UHFFFAOYSA-N 5505 BRD-K85119730-001-27-1 tolbutamide 0 95.31 Selleck S2443 Tolbutamide 270.104 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 JLRGJRBPOGGCBT-UHFFFAOYSA-N 5505 BRD-K10852020-001-07-9 tolcapone 0 100 Tocris 5864 Tolcapone 273.064 Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O MIQPIUSUKVNLNT-UHFFFAOYSA-N 4659569 BRD-K10852020-001-04-5 tolcapone 0 96 Selleck S4021 Tolcapone 273.064 Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O MIQPIUSUKVNLNT-UHFFFAOYSA-N 4659569 BRD-K10852020-001-05-2 tolcapone 0 99.4 Selleck S4021 Tolcapone 273.064 Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O MIQPIUSUKVNLNT-UHFFFAOYSA-N 4659569 BRD-K50133271-001-20-9 tolfenamic-acid 0 99.01 MedChemEx HY-B0335 Tolfenamic Acid 261.056 Cc1c(Cl)cccc1Nc1ccccc1C(O)=O YEZNLOUZAIOMLT-UHFFFAOYSA-N 610479 BRD-K50133271-001-18-7 tolfenamic-acid 0 98.71 MicroSource 1501198 TOLFENAMIC ACID 261.056 Cc1c(Cl)cccc1Nc1ccccc1C(O)=O YEZNLOUZAIOMLT-UHFFFAOYSA-N 610479 BRD-K50133271-001-17-9 tolfenamic-acid 0 98.21 Selleck S1959 Tolfenamic Acid 261.056 Cc1c(Cl)cccc1Nc1ccccc1C(O)=O YEZNLOUZAIOMLT-UHFFFAOYSA-N 610479 BRD-K41772907-001-02-0 tolimidone 0 96.66 Tocris 4582 MLR 1023 202.074 Cc1cccc(Oc2cnc(=O)[nH]c2)c1 HJQILFPVRNHTIG-UHFFFAOYSA-N 39065 BRD-K41772907-001-01-2 tolimidone 0 99.28 Axon 1941 202.074 Cc1cccc(Oc2cnc(=O)[nH]c2)c1 HJQILFPVRNHTIG-UHFFFAOYSA-N 39065 BRD-K82562631-325-06-9 tolmetin 0 91.36 MedChemEx HY-B1489 Tolmetin (sodium dihydrate) 257.105 Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C UPSPUYADGBWSHF-UHFFFAOYSA-N 5509 BRD-K82562631-325-04-7 tolmetin 0 90.84 Selleck S4360 Tolmetin Sodium 257.105 Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C UPSPUYADGBWSHF-UHFFFAOYSA-N 5509 BRD-K82562631-236-04-6 tolmetin 0 98.68 MicroSource 1500582 TOLMETIN SODIUM 257.105 Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C UPSPUYADGBWSHF-UHFFFAOYSA-N 5509 BRD-K44273375-001-27-9 tolnaftate 0 99.03 MedChemEx HY-B0370 Tolnaftate 307.103 CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1 FUSNMLFNXJSCDI-UHFFFAOYSA-N 5510 BRD-K44273375-001-25-0 tolnaftate 0 99.91 MicroSource 1500583 TOLNAFTATE 307.103 CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1 FUSNMLFNXJSCDI-UHFFFAOYSA-N 5510 BRD-K44273375-001-24-3 tolnaftate 0 99.26 Selleck S2058 Tolnaftate 307.103 CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1 FUSNMLFNXJSCDI-UHFFFAOYSA-N 5510 BRD-K82687598-001-01-6 tolonidine 0 98.87 Enamine Z2412196366 "N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine" 209.072 Cc1ccc(NC2=NCCN2)c(Cl)c1 |t:6| KWBTZIFLQYYPTH-UHFFFAOYSA-N 72138 BRD-K94882685-003-09-2 tolonium 0 48.61 MicroSource 1506191 TOLONIUM CHLORIDE 270.106 Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C KZEUBCUXBNEMSQ-UHFFFAOYSA-O 91311512 BRD-K94882685-003-10-0 tolonium 0 90.9 Sigma T3260-5G Toluidine blue 270.106 Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C KZEUBCUXBNEMSQ-UHFFFAOYSA-O 91311512 BRD-A67182178-001-01-7 toloxatone 0 99.02 Sigma MFCD00865391 "5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one" 207.09 "Cc1cccc(c1)N1C[C@@H](CO)OC1=O |&1:9,r|" MXUNKHLAEDCYJL-JTQLQIEISA-N 13753599 BRD-A27732521-003-08-3 tolperisone 0 97.96 MicroSource 1501194 TOLPERISONE HYDROCHLORIDE 245.178 C[C@@H](CN1CCCCC1)C(=O)c1ccc(C)cc1 |r| FSKFPVLPFLJRQB-AWEZNQCLSA-N 688589 BRD-A27732521-003-07-5 tolperisone 0 96.21 Selleck S4200 Tolperisone HCl 245.178 C[C@@H](CN1CCCCC1)C(=O)c1ccc(C)cc1 |r| FSKFPVLPFLJRQB-AWEZNQCLSA-N 688589 BRD-K85693895-001-02-9 tolrestat 0 79.87 MedChemEx HY-16500 Tolrestat 357.065 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O LUBHDINQXIHVLS-UHFFFAOYSA-N 53359 BRD-K85693895-001-03-7 tolrestat 0 89.37 MedChemEx HY-16500 Tolrestat 357.065 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O LUBHDINQXIHVLS-UHFFFAOYSA-N 53359 BRD-K85693895-001-01-1 tolrestat 0 62.6 MedChemEx HY-16500 Tolrestat 357.065 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O LUBHDINQXIHVLS-UHFFFAOYSA-N 53359 BRD-K54316499-046-06-0 tolterodine 0 90.63 Tocris 3761 Tolterodine L-tartrate 325.241 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C OOGJQPCLVADCPB-HXUWFJFHSA-N 443879 BRD-K54316499-046-05-2 tolterodine 0 88.01 Selleck S2550 Tolterodine tartrate (Detrol LA) 325.241 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C OOGJQPCLVADCPB-HXUWFJFHSA-N 443879 BRD-K54316499-046-09-9 tolterodine 0 89.98 Tocris 3761 Tolterodine L-tartrate 325.241 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C OOGJQPCLVADCPB-HXUWFJFHSA-N 443879 BRD-K54316499-046-04-5 tolterodine 0 82.53 Selleck S2550 Tolterodine tartrate 325.241 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C OOGJQPCLVADCPB-HXUWFJFHSA-N 443879 BRD-K64514229-001-07-9 toltrazuril 0 98.46 MedChemEx HY-B0175 Toltrazuril 425.066 Cc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)-n1c(=O)[nH]c(=O)n(C)c1=O OCINXEZVIIVXFU-UHFFFAOYSA-N 68591 BRD-K64514229-001-05-2 toltrazuril 0 99.46 MicroSource 1505681 TOLTRAZURIL 425.066 Cc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)-n1c(=O)[nH]c(=O)n(C)c1=O OCINXEZVIIVXFU-UHFFFAOYSA-N 68591 BRD-K64514229-001-04-5 toltrazuril 0 98.38 Selleck S4044 Toltrazuril 425.066 Cc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)-n1c(=O)[nH]c(=O)n(C)c1=O OCINXEZVIIVXFU-UHFFFAOYSA-N 68591 BRD-A82035391-001-03-5 tolvaptan 0 97.1 Tocris 5181 Tolvaptan 448.155 "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc23)c(C)c1 |&1:20,r|" GYHCTFXIZSNGJT-XMMPIXPASA-N 443894 BRD-A82035391-001-04-9 tolvaptan 0 97.96 Tocris 5181 Tolvaptan 448.155 "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc23)c(C)c1 |&1:20,r|" GYHCTFXIZSNGJT-XMMPIXPASA-N 443894 BRD-A82035391-001-02-7 tolvaptan 0 98.54 Selleck S2593 Tolvaptan 448.155 "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc23)c(C)c1 |&1:20,r|" GYHCTFXIZSNGJT-XMMPIXPASA-N 443894 BRD-K00003487-001-01-9 tomeglovir 0 97.71 MedChemEx HY-108261 Tomeglovir 441.172 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(NC(=O)C(C)(C)CO)cc1 OSQAKHSYTKBSPB-UHFFFAOYSA-N 475330 BRD-K74765201-001-16-7 tomelukast 0 94.74 Enzo RA101 LY-171883 318.169 CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O MWYHLEQJTQJHSS-UHFFFAOYSA-N 3969 BRD-K74765201-001-07-6 tomelukast 0 Enzo RA-101 LY 171883 318.169 CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O MWYHLEQJTQJHSS-UHFFFAOYSA-N 3969 BRD-K00003361-001-01-9 tomivosertib 0 96.64 MedChemEx HY-100022 Tomivosertib 340.165 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 HKTBYUWLRDZAJK-UHFFFAOYSA-N 118598754 BRD-K36970462-001-01-6 tonabersat 0 99.82 MedChemEx HY-15204 Tonabersat 391.099 CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1 XLIIRNOPGJTBJD-ROUUACIJSA-N 6918324 BRD-K36970462-001-02-9 tonabersat 0 97.32 MedChemEx HY-15204 Tonabersat 391.099 CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1 XLIIRNOPGJTBJD-ROUUACIJSA-N 6918324 BRD-K00003325-001-01-9 topilutamide 0 95.48 MedChemEx HY-19470 Topilutamide 403.06 "C[C@](O)(CNC(=O)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |&1:1,r|" YCNCRLKXSLARFT-NSHDSACASA-N 76958749 BRD-K29653726-001-16-7 topiramate 0 94.04 Tocris 3620 Topiramate 339.099 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 KJADKKWYZYXHBB-XBWDGYHZSA-N 5284627 BRD-K29653726-001-15-9 topiramate 0 100 MicroSource 1505801 TOPIRAMATE 339.099 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 KJADKKWYZYXHBB-XBWDGYHZSA-N 5284627 BRD-K29653726-001-14-2 topiramate 0 100 Tocris 3620 Topiramate 339.099 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 KJADKKWYZYXHBB-XBWDGYHZSA-N 5284627 BRD-K29653726-001-13-4 topiramate 0 100 Selleck S1438 Topiramate 339.099 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 KJADKKWYZYXHBB-XBWDGYHZSA-N 5284627 BRD-K77561571-001-01-1 topiroxostat 0 99.78 MedChemEx HY-14874 Topiroxostat 248.081 N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1 UBVZQGOVTLIHLH-UHFFFAOYSA-N 5288320 BRD-K77561571-001-02-9 topiroxostat 0 96.01 MedChemEx HY-14874 Topiroxostat 248.081 N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1 UBVZQGOVTLIHLH-UHFFFAOYSA-N 5288320 BRD-K55696337-003-25-1 topotecan 0 24.11 MedChemEx HY-13768A Topotecan (Hydrochloride) 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K55696337-003-21-0 topotecan 0 41.05 MicroSource 1505820 TOPOTECAN HYDROCHLORIDE 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K55696337-003-23-6 topotecan 0 29.04 Key KS-1410 "(4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride" 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K55696337-003-22-8 topotecan 0 42.85 Selleck S1231 Topotecan HCl 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K55696337-003-24-4 topotecan 0 76.92 MedChemEx HY-13768A Topotecan (Hydrochloride) 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K55696337-003-20-2 topotecan 0 33.95 Selleck S1231 Topotecan HCl 421.164 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O UCFGDBYHRUNTLO-QHCPKHFHSA-N 60700 BRD-K30480208-001-18-5 torasemide 0 99.36 MicroSource 1505211 TORSEMIDE 348.126 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1 NGBFQHCMQULJNZ-UHFFFAOYSA-N 51371498 BRD-K30480208-001-19-9 torasemide 0 99.03 MedChemEx HY-B0247 Torsemide 348.126 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1 NGBFQHCMQULJNZ-UHFFFAOYSA-N 51371498 BRD-K30480208-001-17-7 torasemide 0 97.07 Selleck S1698 Torsemide 348.126 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1 NGBFQHCMQULJNZ-UHFFFAOYSA-N 51371498 BRD-K55675242-001-02-2 torcetrapib 0 91.57 Tocris 4184 Torcetrapib 600.167 CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F CMSGWTNRGKRWGS-NQIIRXRSSA-N 159325 BRD-K55675242-001-03-0 torcetrapib 0 96.12 Selleck S2792 Torcetrapib 600.167 CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F CMSGWTNRGKRWGS-NQIIRXRSSA-N 159325 BRD-K64622987-001-01-4 BRD-K55675242-001-04-9 torcetrapib 0 96.58 Tocris 4184 Torcetrapib 600.167 CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F CMSGWTNRGKRWGS-NQIIRXRSSA-N 159325 BRD-K91822704-003-08-9 torcitabine 0 84.6 MedChemEx HY-17564 2'-Deoxycytidine (hydrochloride) 227.091 Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N 13711 BRD-K91822704-003-07-2 torcitabine 0 100 MedChemEx HY-17564 2'-Deoxycytidine (hydrochloride) 227.091 Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N 13711 BRD-K51350053-048-16-5 toremifene 0 95.2 MicroSource 1505682 TOREMIFENE CITRATE 405.186 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 XFCLJVABOIYOMF-QPLCGJKRSA-N 3005573 BRD-K51350053-048-18-9 toremifene 0 95.88 MedChemEx HY-B0005 Toremifene (Citrate) 405.186 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 XFCLJVABOIYOMF-QPLCGJKRSA-N 3005573 BRD-K51350053-048-17-3 toremifene 0 97.25 Selleck S1776 "Toremifene Citrate (Fareston, Acapodene)" 405.186 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 XFCLJVABOIYOMF-QPLCGJKRSA-N 3005573 BRD-K51350053-048-15-7 toremifene 0 89.49 Selleck S1776 Toremifene Citrate 405.186 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1 XFCLJVABOIYOMF-QPLCGJKRSA-N 3005573 BRD-K40175214-001-11-6 torin-1 0 89.49 Selleck S2827 Torin 1 607.22 CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 AKCRNFFTGXBONI-UHFFFAOYSA-N 49836027 BRD-K40175214-001-13-2 torin-1 0 95.98 Selleck S2827 Torin 1 607.22 CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 AKCRNFFTGXBONI-UHFFFAOYSA-N 49836027 BRD-K40175214-001-15-9 torin-1 0 89.04 Tocris 4247 Torin 1 607.22 CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 AKCRNFFTGXBONI-UHFFFAOYSA-N 49836027 BRD-K68174511-001-06-6 torin-2 0 97.22 Selleck S2817 Torin 2 432.12 Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 GUXXEUUYCAYESJ-UHFFFAOYSA-N 51358113 BRD-K68174511-001-08-2 torin-2 0 97.57 Tocris 4248 Torin 2 432.12 Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 GUXXEUUYCAYESJ-UHFFFAOYSA-N 51358113 BRD-K68174511-001-09-9 torin-2 0 96.39 Tocris 4248 Torin 2 432.12 Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 GUXXEUUYCAYESJ-UHFFFAOYSA-N 51358113 BRD-K92241597-001-11-0 tosedostat 0 63.33 Tocris 3595 CHR 2797 406.21 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 FWFGIHPGRQZWIW-SQNIBIBYSA-N 15547703 BRD-K92241597-001-09-4 tosedostat 0 78.86 Selleck S1522 Tosedostat (CHR2797) 406.21 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 FWFGIHPGRQZWIW-SQNIBIBYSA-N 15547703 BRD-K92241597-001-06-0 tosedostat 0 93.96 Tocris 3595 CHR 2797 406.21 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 FWFGIHPGRQZWIW-SQNIBIBYSA-N 15547703 BRD-K92241597-001-12-9 tosedostat 0 83.33 Tocris 3595 CHR 2797 406.21 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 FWFGIHPGRQZWIW-SQNIBIBYSA-N 15547703 BRD-K92241597-001-05-2 tosedostat 0 74.99 Selleck S1522 Tosedostat (CHR2797) 406.21 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 FWFGIHPGRQZWIW-SQNIBIBYSA-N 15547703 BRD-K01825158-003-02-9 tosufloxacin 0 97.24 Prestwick Prestw-1464 Tosufloxacin hydrochloride 440.086 N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F |&1:1| WUWFMDMBOJLQIV-JTQLQIEISA-N 488360 BRD-K26420709-001-01-7 toyocamycin 0 99.13 Sigma T3580 "4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile" 291.097 Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O XOKJUSAYZUAMGJ-WOUKDFQISA-N 11824 BRD-K93045741-001-02-9 tozadenant 0 95.9 MedChemEx HY-10995 Tozadenant 406.167 COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 XNBRWUQWSKXMPW-UHFFFAOYSA-N 11618368 BRD-K93045741-001-01-0 tozadenant 0 96.14 MedChemEx HY-10995 Tozadenant 406.167 COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 XNBRWUQWSKXMPW-UHFFFAOYSA-N 11618368 BRD-K59369769-001-23-7 tozasertib 0 97.69 Selleck S1048 Tozasertib 464.211 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 GCIKSSRWRFVXBI-UHFFFAOYSA-N 5494449 BRD-K59369769-001-20-3 tozasertib 0 95.49 Selleck S1048 "VX-680 (Tozasertib, MK-0457)" 464.211 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 GCIKSSRWRFVXBI-UHFFFAOYSA-N 5494449 BRD-K87941707-001-02-9 TP-003 0 95.5 Tocris 4414 TP 003 407.125 CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N SJMMDWXJSSJHOQ-UHFFFAOYSA-N 10001434 BRD-K87941707-001-01-0 TP-003 0 94.29 Tocris 4414 TP 003 407.125 CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N SJMMDWXJSSJHOQ-UHFFFAOYSA-N 10001434 BRD-K84034737-001-01-1 TP-0903 0 98.07 MedChemEx HY-12963 TP-0903 515.187 CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl YUAALFPUEOYPNX-UHFFFAOYSA-N 56839178 BRD-K00005239-001-01-9 TP-3654 0 96.51 MedChemEx HY-101126 TP-3654 418.198 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r| XRNVABDYQLHODA-JCNLHEQBSA-N BRD-K51575138-001-15-7 TPCA-1 0 98.05 Tocris 2559 TPCA-1 279.048 NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 SAYGKHKXGCPTLX-UHFFFAOYSA-N 9903786 BRD-K51575138-001-13-2 TPCA-1 0 98.3 Tocris 2559 TPCA-1 279.048 NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 SAYGKHKXGCPTLX-UHFFFAOYSA-N 9903786 BRD-K51575138-001-12-4 TPCA-1 0 95.7 Selleck S2824 TPCA-1 279.048 NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 SAYGKHKXGCPTLX-UHFFFAOYSA-N 9903786 BRD-K00004542-001-01-9 TPPS4 0 40.2 Vitas-M STK568251 "4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrabenzenesulfonic acid" 934.074 OS(=O)(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc([nH]2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc(n2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc1[nH]2 PBHVCRIXMXQXPD-LWQDQPMZSA-N BRD-K00003313-001-01-9 trabectedin 0 85.45 MedChemEx HY-50936 Trabectedin 761.262 [H][C@@]12Cc3cc(C)c(OC)c(O)c3[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])c1c(OC(C)=O)c(C)c4OCOc4c21)NCCc1cc(O)c(OC)cc31 |THB:16:15:2.3.12:17.19.20| PKVRCIRHQMSYJX-AIFWHQITSA-N 108150 BRD-K00004698-001-01-9 trabodenoson 0 81.93 AMS L13970 Trabodenoson 380.144 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 AQLVRTWKJDTWQQ-SDBHATRESA-N 11610599 BRD-K34154330-003-07-9 tracazolate 0 92.72 Tocris 1558 Tracazolate hydrochloride 304.19 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 PCTRYMLLRKWXGF-UHFFFAOYSA-N 5522 BRD-K34154330-003-06-4 tracazolate 0 98.96 Tocris 1558 Tracazolate hydrochloride 304.19 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 PCTRYMLLRKWXGF-UHFFFAOYSA-N 5522 BRD-K00003222-001-01-9 tradipitant 0 97.43 MedChemEx HY-16732 Tradipitant 587.095 FC(F)(F)c1cc(Cn2nnc(c2-c2ccncc2)-c2ncccc2C(=O)c2ccccc2Cl)cc(c1)C(F)(F)F CAVRKWRKTNINFF-UHFFFAOYSA-N 9916461 BRD-K30071764-001-03-0 TRAM-34 0 0 MedChemEx HY-13519 TRAM-34 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1 KBFUQFVFYYBHBT-UHFFFAOYSA-N 656734 BRD-K30071764-001-02-2 TRAM-34 0 0 MedChemEx HY-13519 TRAM-34 344.108 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1 KBFUQFVFYYBHBT-UHFFFAOYSA-N 656734 BRD-K81341251-001-02-9 TRAM-39 0 98.14 Tocris 4952 TRAM 39 303.081 Clc1ccccc1C(C#N)(c1ccccc1)c1ccccc1 JHNRTPKGSCVKKC-UHFFFAOYSA-N 9861261 BRD-K81341251-001-01-9 TRAM-39 0 93.57 Tocris 4952 TRAM 39 303.081 Clc1ccccc1C(C#N)(c1ccccc1)c1ccccc1 JHNRTPKGSCVKKC-UHFFFAOYSA-N 9861261 BRD-K12343256-001-18-8 trametinib 0 88.74 Selleck S2673 Trametinib 615.078 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O LIRYPHYGHXZJBZ-UHFFFAOYSA-N 11707110 BRD-K12343256-001-14-7 trametinib 0 94.67 MedChemEx HY-10999 trametinib 615.078 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O LIRYPHYGHXZJBZ-UHFFFAOYSA-N 11707110 BRD-K12343256-001-11-3 trametinib 0 93.36 Selleck S2673 GSK1120212 (Trametinib) 615.078 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O LIRYPHYGHXZJBZ-UHFFFAOYSA-N 11707110 BRD-K12343256-001-08-9 trametinib 0 76.41 Selleck S2673 Trametinib (GSK1120212) 615.078 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O LIRYPHYGHXZJBZ-UHFFFAOYSA-N 11707110 BRD-K82234479-001-09-4 tramiprosate 0 100 MicroSource 1501125 TRAMIPROSATE 139.03 NCCCS(O)(=O)=O SNKZJIOFVMKAOJ-UHFFFAOYSA-N 6991996 BRD-K82234479-001-10-9 tramiprosate 0 100 Tocris 3619 Tramiprosate 139.03 NCCCS(O)(=O)=O SNKZJIOFVMKAOJ-UHFFFAOYSA-N 6991996 BRD-K28550399-001-03-9 trandolapril 0 89.87 MedChemEx HY-B0592 Trandolapril 430.247 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O VXFJYXUZANRPDJ-WTNASJBWSA-N 5484727 BRD-K15014948-001-11-1 tranexamic-acid 0 97 MedChemEx HY-B0149 Tranexamic acid 157.11 NC[C@H]1CC[C@@H](CC1)C(O)=O |r| GYDJEQRTZSCIOI-LJGSYFOKSA-N BRD-K15014948-001-10-3 tranexamic-acid 0 83.58 MedChemEx HY-B0149 Tranexamic acid 157.11 NC[C@H]1CC[C@@H](CC1)C(O)=O |r| GYDJEQRTZSCIOI-LJGSYFOKSA-N BRD-K15014948-213-01-3 tranexamic-acid 0 0 MicroSource 1502026 TRANEXAMIC ACID 157.11 NC[C@H]1CC[C@@H](CC1)C(O)=O |r| GYDJEQRTZSCIOI-LJGSYFOKSA-N BRD-K15014948-001-09-5 tranexamic-acid 0 0 Selleck S1875 Tranexamic acid (Transamin) 157.11 NC[C@H]1CC[C@@H](CC1)C(O)=O |r| GYDJEQRTZSCIOI-LJGSYFOKSA-N BRD-K15014948-001-12-9 tranexamic-acid 0 6.99 Selleck S1875 Tranexamic Acid 157.11 NC[C@H]1CC[C@@H](CC1)C(O)=O |r| GYDJEQRTZSCIOI-LJGSYFOKSA-N BRD-K79165417-001-01-7 BRD-K17849083-001-34-5 tranilast 0 89.96 Tocris 1098 Tranilast 327.111 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC NZHGWWWHIYHZNX-CSKARUKUSA-N 5282230 BRD-K17849083-001-31-1 tranilast 0 96.73 MicroSource 1505333 TRANILAST 327.111 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC NZHGWWWHIYHZNX-CSKARUKUSA-N 5282230 BRD-K17849083-001-32-9 tranilast 0 99.75 Selleck S1439 Tranilast (SB 252218) 327.111 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC NZHGWWWHIYHZNX-CSKARUKUSA-N 5282230 BRD-K17849083-001-29-5 tranilast 0 85.68 Selleck S1439 Tranilast 327.111 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC NZHGWWWHIYHZNX-CSKARUKUSA-N 5282230 BRD-K17849083-001-30-3 tranilast 0 79.42 Tocris 1098 Tranilast 327.111 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC NZHGWWWHIYHZNX-CSKARUKUSA-N 5282230 BRD-K26222048-001-02-9 "trans-10,cis-12-conjugated-linoleic-acid" 0 28.07 Cayman 90145 "10(E),12(Z)-Conjugated Linoleic Acid" 280.24 CCCCC\C=C/C=C/CCCCCCCCC(O)=O GKJZMAHZJGSBKD-NMMTYZSQSA-N 5282800 BRD-K26222048-001-01-7 "trans-10,cis-12-conjugated-linoleic-acid" 0 95.61 Cayman 90145 280.24 CCCCC\C=C/C=C/CCCCCCCCC(O)=O GKJZMAHZJGSBKD-NMMTYZSQSA-N 5282800 BRD-K42959922-001-01-5 trans-2-undecenoic-acid 0 90.54 AlfaAesar L11579 "trans-2-Undecenoic acid, tech. 80%" 184.146 CCCCCCCC\C=C\C(O)=O IGBBVTAVILYDIO-MDZDMXLPSA-N 5282728 BRD-K75080769-001-02-9 "trans-4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylic-acid" 0 95.64 Key EH-0718 "4-(8-(3-fluorophenyl)-1,7-naphthyridin-6-yl)cyclohexane-1-carboxylic acid" 350.143 OC(=O)C1CCC(CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 XWVBOPKUSVZZPJ-UHFFFAOYSA-N 9924539 BRD-K75080769-001-01-6 "trans-4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylic-acid" 0 94.05 Key EH-0718 350.143 OC(=O)C1CCC(CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 XWVBOPKUSVZZPJ-UHFFFAOYSA-N 9924539 BRD-K91614056-001-03-9 trans-4-hydroxycrotonic-acid 1 0 Tocris 538 trans-4-Hydroxycrotonic acid 102.032 OC\C=C\C(O)=O RMQJECWPWQIIPW-OWOJBTEDSA-N 6155526 BRD-K91614056-001-02-2 trans-4-hydroxycrotonic-acid 1 0 Tocris 538 trans-4-Hydroxycrotonic acid 102.032 OC\C=C\C(O)=O RMQJECWPWQIIPW-OWOJBTEDSA-N 6155526 BRD-K26273521-001-08-9 trans-4-methoxycinnamic-acid 0 95.36 Sigma MFCD00004398 "4-Methoxycinnamic acid, predominantly trans" 178.063 COc1ccc(\C=C\C(O)=O)cc1 AFDXODALSZRGIH-QPJJXVBHSA-N 699414 BRD-K26273521-001-07-3 trans-4-methoxycinnamic-acid 0 96.49 Vitas-M STK005095 178.063 COc1ccc(\C=C\C(O)=O)cc1 AFDXODALSZRGIH-QPJJXVBHSA-N 699414 BRD-K00003217-304-01-9 transcrocetinate 0 0 MedChemEx HY-16502 Transcrocetinate disodium 328.167 C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O PANKHBYNKQNAHN-MQQNZMFNSA-N 5281232 BRD-K00003699-065-01-9 tranylcypromine 0 77.31 MedChemEx HY-B1496 Tranylcypromine (hemisulfate) 133.089 "N[C@H]1C[C@@H]1c1ccccc1 |&1:1,3|" AELCINSCMGFISI-BDAKNGLRSA-N 26070 BRD-K69837166-003-03-8 trap-101 0 96.57 Tocris 2508 Trap 101 397.273 CCn1c2ccccc2n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c1=O |c:11| DCRGHMJXEBSRQG-UHFFFAOYSA-N 11494970 BRD-K69837166-003-02-0 trap-101 0 97.83 Tocris 2508 Trap 101 397.273 CCn1c2ccccc2n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c1=O |c:11| DCRGHMJXEBSRQG-UHFFFAOYSA-N 11494970 BRD-K69837166-003-04-9 trap-101 0 97.53 Tocris 2508 Trap 101 397.273 CCn1c2ccccc2n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c1=O |c:11| DCRGHMJXEBSRQG-UHFFFAOYSA-N 11494970 BRD-K95763993-001-20-9 trapidil 0 98.72 MedChemEx HY-B1016 Trapidil 205.133 CCN(CC)c1cc(C)nc2ncnn12 GSNOZLZNQMLSKJ-UHFFFAOYSA-N 5531 BRD-K95763993-001-19-3 trapidil 0 97.83 Prestwick Prestw-1012 Trapidil 205.133 CCN(CC)c1cc(C)nc2ncnn12 GSNOZLZNQMLSKJ-UHFFFAOYSA-N 5531 BRD-K23976833-001-02-9 travoprost 0 86.76 MedChemEx HY-B0584 Travoprost 500.239 CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1cccc(c1)C(F)(F)F MKPLKVHSHYCHOC-AHTXBMBWSA-N 5282226 BRD-K23976833-001-01-0 travoprost 0 95.41 Enzo AC3276 TRAVOPROST 500.239 CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1cccc(c1)C(F)(F)F MKPLKVHSHYCHOC-AHTXBMBWSA-N 5282226 BRD-K38158531-001-02-1 traxoprodil 0 93.36 EMDBio 504523-5MG "CP-101,606" 327.183 C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1 QEMSVZNTSXPFJA-HNAYVOBHSA-N 219101 BRD-K70778732-003-27-5 trazodone 0 94.42 MicroSource 1503121 TRAZODONE HYDROCHLORIDE 371.151 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1 PHLBKPHSAVXXEF-UHFFFAOYSA-N 5533 BRD-K70778732-003-26-7 trazodone 0 97.98 Selleck S2582 Trazodone HCl 371.151 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1 PHLBKPHSAVXXEF-UHFFFAOYSA-N 5533 BRD-A20686268-001-01-4 trebenzomine 0 53.54 Sigma PH007494 "N,N-dimethyl-N-(2-methyl-3,4-dihydro-2H-chromen-3-yl)amine" 191.131 "C[C@H]1Oc2ccccc2C[C@@H]1N(C)C |&1:1,&2:10,r|" FDJAKSHVOONYHX-KOLCDFICSA-N 76963054 BRD-K36407194-001-02-9 trelagliptin 0 78.61 MedChemEx HY-15408 Trelagliptin 357.16 Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O IWYJYHUNXVAVAA-OAHLLOKOSA-N 15983988 BRD-K08619838-303-06-9 tremorine 0 84.2 Vitas-M STL432313 1-[4-(1-pyrrolidinyl)-2-butynyl]pyrrolidine 192.163 C(C#CCN1CCCC1)N1CCCC1 JSUAJTLKVREZHV-UHFFFAOYSA-N 5534 BRD-K08619838-300-05-7 tremorine 0 100 Prestwick Prestw-331 Tremorine dihydrochloride 192.163 C(C#CCN1CCCC1)N1CCCC1 JSUAJTLKVREZHV-UHFFFAOYSA-N 5534 BRD-K20902145-001-01-2 treosulfan 0 0 MedChemEx HY-16503 Treosulfan 278.013 CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O YCPOZVAOBBQLRI-WDSKDSINSA-N 9882105 BRD-K20902145-001-02-0 treosulfan 0 0 MedChemEx HY-16503 Treosulfan 278.013 CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O YCPOZVAOBBQLRI-WDSKDSINSA-N 9882105 BRD-K37543758-001-01-3 trepibutone 0 97.79 AvaChem 1611 "4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid" 310.142 CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(O)=O YPTFHLJNWSJXKG-UHFFFAOYSA-N 5536 BRD-K19706299-236-02-9 treprostinil 0 97.03 MedChemEx HY-16504 Treprostinil (sodium) 390.241 CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C[C@H]12)cccc3OCC(O)=O PAJMKGZZBBTTOY-ZFORQUDYSA-N 6918140 BRD-K84663978-003-03-7 trequinsin 0 96.03 Tocris 2337 Trequinsin hydrochloride 405.205 COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC MCMSJVMUSBZUCN-YYDJUVGSSA-N BRD-K84663978-003-02-9 trequinsin 0 95.94 Tocris 2337 Trequinsin hydrochloride 405.205 COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC MCMSJVMUSBZUCN-YYDJUVGSSA-N BRD-K84663978-003-05-9 trequinsin 0 94.75 Tocris 2337 Trequinsin hydrochloride 405.205 COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC MCMSJVMUSBZUCN-YYDJUVGSSA-N BRD-K08748705-001-08-2 tretazicar 0 92.47 Sigma MFCD00869490 "5-(1-aziridinyl)-2,4-dinitrobenzamide" 252.049 NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O WOCXQMCIOTUMJV-UHFFFAOYSA-N 89105 BRD-K71879491-001-51-5 tretinoin 0 84.83 MedChemEx HY-14649 Retinoic acid 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-47-3 tretinoin 0 21.25 Sigma T1850000 retinoic acid 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-39-0 tretinoin 0 34.51 MicroSource 1502016 TRETINOIN 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-44-0 tretinoin 0 64.55 Selleck S1653 All-trans Retinoic Acid (Tretinoin) 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-48-1 tretinoin 0 40.72 MedChemEx HY-14649 Retinoic acid 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-38-2 tretinoin 0 23.7 Tocris 695 Retinoic acid 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K71879491-001-37-4 tretinoin 0 8.36 Selleck S1653 Tretinoin 300.209 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| SHGAZHPCJJPHSC-YCNIQYBTSA-N 444795 BRD-K92844263-001-12-9 triacetin 0 0 MedChemEx HY-B0896 Triacetin 218.079 CC(=O)OCC(COC(C)=O)OC(C)=O URAYPUMNDPQOKB-UHFFFAOYSA-N 5541 BRD-K92844263-001-09-8 triacetin 0 85.32 MicroSource 1500585 TRIACETIN 218.079 CC(=O)OCC(COC(C)=O)OC(C)=O URAYPUMNDPQOKB-UHFFFAOYSA-N 5541 BRD-K77554836-001-15-9 triamcinolone 0 80.13 MedChemEx HY-B0328 Triamcinolone 394.179 "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|" GFNANZIMVAIWHM-OBYCQNJPSA-N 31307 BRD-K77554836-001-11-6 triamcinolone 0 94.01 Selleck S1933 Triamcinolone (Aristocort) 394.179 "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|" GFNANZIMVAIWHM-OBYCQNJPSA-N 31307 BRD-K77554836-001-14-0 triamcinolone 0 85.81 MicroSource 1500586 TRIAMCINOLONE 394.179 "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|" GFNANZIMVAIWHM-OBYCQNJPSA-N 31307 BRD-A37780065-001-04-5 BRD-K77554836-001-13-2 triamcinolone 0 51.58 Selleck S1933 Triamcinolone 394.179 "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|" GFNANZIMVAIWHM-OBYCQNJPSA-N 31307 BRD-K97780336-001-01-9 BRD-K53790871-001-20-9 triamcinolone-acetonide 0 91.09 MedChemEx HY-B0636 Triamcinolone acetonide 434.21 "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |c:14,t:10|" YNDXUCZADRHECN-JNQJZLCISA-N 6436 BRD-K00003338-001-01-9 triamcinolone-hexacetonide 0 80.82 MedChemEx HY-U00103 Triamcinolone hexacetonide 532.284 "[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)CC(C)(C)C |c:13,t:9|" TZIZWYVVGLXXFV-FLRHRWPCSA-N 21826 BRD-K92049597-001-21-9 triamterene 0 98.47 MedChemEx HY-B0575 Triamterene 253.108 Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 FNYLWPVRPXGIIP-UHFFFAOYSA-N 5546 BRD-K92049597-001-20-8 triamterene 0 99.47 MicroSource 1500589 TRIAMTERENE 253.108 Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 FNYLWPVRPXGIIP-UHFFFAOYSA-N 5546 BRD-K92049597-001-19-0 triamterene 0 96.26 Selleck S4080 Triamterene 253.108 Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 FNYLWPVRPXGIIP-UHFFFAOYSA-N 5546 BRD-K01669786-001-03-0 triapine 0 99.17 MedChemEx HY-10082 Triapine 195.058 NC(=S)N\N=C\c1ncccc1N XMYKNCNAZKMVQN-NYYWCZLTSA-N 9571836 BRD-K01669786-001-01-4 triapine 0 62.57 Selleck S7470 Triapine 195.058 NC(=S)N\N=C\c1ncccc1N XMYKNCNAZKMVQN-NYYWCZLTSA-N 9571836 BRD-K01669786-001-02-2 triapine 0 99.04 Selleck S7470 Triapine 195.058 NC(=S)N\N=C\c1ncccc1N XMYKNCNAZKMVQN-NYYWCZLTSA-N 9571836 BRD-A60294240-001-04-9 tribenoside 0 58.56 ChemImpex 28418 Tribenoside 478.236 "CCO[C@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O |a:5,6,24,33,&1:3|" ULLNJSBQMBKOJH-JPHCZMGXSA-N 12874922 BRD-A60294240-001-03-7 tribenoside 0 63.93 Prestwick Prestw-1019 Tribenoside 478.236 "CCO[C@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O |a:5,6,24,33,&1:3|" ULLNJSBQMBKOJH-JPHCZMGXSA-N 12874922 BRD-K09118247-001-04-9 tribomsalan 0 95.09 Sigma MFCD00045740 "3,5-DIBROMO-N-(4-BROMO-PHENYL)-2-HYDROXY-BENZAMIDE" 446.811 Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1 KVSKGMLNBAPGKH-UHFFFAOYSA-N 14868 BRD-K09118247-001-03-3 tribomsalan 0 97.22 Vitas-M STK301503 446.811 Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1 KVSKGMLNBAPGKH-UHFFFAOYSA-N 14868 BRD-K69632891-001-02-9 tribromoethanol 1 0 MedChemEx HY-B1372 Tribromoethyl alcohol 279.773 OCC(Br)(Br)Br YFDSDPIBEUFTMI-UHFFFAOYSA-N 6400 BRD-K69632891-001-01-3 tribromoethanol 1 0 MicroSource 1504342 TRIBROMOETHANOL 279.773 OCC(Br)(Br)Br YFDSDPIBEUFTMI-UHFFFAOYSA-N 6400 BRD-K38969488-001-01-6 tributyrin 0 0 Sigma MFCD00009392 "2,3-bis(butyryloxy)propyl butyrate" 302.173 CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC UYXTWWCETRIEDR-UHFFFAOYSA-N 6050 BRD-K24790130-001-07-1 tricaprylin 0 85.71 MicroSource 1504370 CAPRYILIDENE 470.361 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC VLPFTAMPNXLGLX-UHFFFAOYSA-N 10850 BRD-K24790130-001-09-9 tricaprylin 0 0 Sigma MFCD00036236 Glyceryl trioctanoate 470.361 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC VLPFTAMPNXLGLX-UHFFFAOYSA-N 10850 BRD-A28940325-001-23-2 trichlormethiazide 0 46.71 Selleck S1667 Trichlormethiazide 378.902 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)C(Cl)Cl)cc1Cl |&1:9,r|" LMJSLTNSBFUCMU-QMMMGPOBSA-N 12444480 BRD-A28940325-001-24-0 trichlormethiazide 0 100 MicroSource 1500590 TRICHLORMETHIAZIDE 378.902 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)C(Cl)Cl)cc1Cl |&1:9,r|" LMJSLTNSBFUCMU-QMMMGPOBSA-N 12444480 BRD-A28940325-001-25-7 trichlormethiazide 0 43.72 Selleck S1667 Trichlormethiazide (Achletin) 378.902 "NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)C(Cl)Cl)cc1Cl |&1:9,r|" LMJSLTNSBFUCMU-QMMMGPOBSA-N 12444480 BRD-K42090719-001-07-3 trichloroacetic-acid 1 0 Enamine Z104473288 trichloroacetic acid 161.904 OC(=O)C(Cl)(Cl)Cl YNJBWRMUSHSURL-UHFFFAOYSA-N 6421 BRD-K42090719-001-06-5 trichloroacetic-acid 1 0 Enamine Z104473288 161.904 OC(=O)C(Cl)(Cl)Cl YNJBWRMUSHSURL-UHFFFAOYSA-N 6421 BRD-K46435528-001-05-1 trichloroethylene 1 0 Sigma MFCD00000838 "1,1,2-trichloroethylene" 129.914 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N 6575 BRD-K46435528-001-04-4 trichloroethylene 1 0 MicroSource 1301056 TRICHLOROETHYLENE 129.914 ClC=C(Cl)Cl XSTXAVWGXDQKEL-UHFFFAOYSA-N 6575 BRD-K68202742-001-16-5 trichostatin-a 0 98.67 Selleck S1045 Trichostatin A (TSA) 302.163 C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C RTKIYFITIVXBLE-QEQCGCAPSA-N 444732 BRD-K68202742-001-13-2 trichostatin-a 0 74.83 Selleck S1045 Trichostatin A (TSA) 302.163 C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C RTKIYFITIVXBLE-QEQCGCAPSA-N 444732 BRD-K80431395-001-04-0 triciribine 0 73.08 Tocris 2151 API-2 320.123 Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 HOGVTUZUJGHKPL-HTVVRFAVSA-N 65399 BRD-K80431395-001-12-9 triciribine 0 95.13 Tocris 2151 API-2 320.123 Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 HOGVTUZUJGHKPL-HTVVRFAVSA-N 65399 BRD-K80431395-001-08-1 triciribine 0 95.07 Tocris 2151 API-2 320.123 Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 HOGVTUZUJGHKPL-HTVVRFAVSA-N 65399 BRD-K80431395-001-09-9 triciribine 0 82.54 Selleck S1117 Triciribine 320.123 Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 HOGVTUZUJGHKPL-HTVVRFAVSA-N 65399 BRD-K85975921-001-01-0 BRD-K80431395-001-07-3 triciribine 0 93.15 Selleck S1117 Triciribine (Triciribine phosphate) 320.123 Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 HOGVTUZUJGHKPL-HTVVRFAVSA-N 65399 BRD-K00004666-001-01-9 triciribine-phosphate 0 95.69 Adooq A11033 "VQD-002,TCN-P" 400.09 Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 URLYINUFLXOMHP-HTVVRFAVSA-N 43860 BRD-K81916719-001-15-9 triclabendazole 0 97.28 MedChemEx HY-B0621 Triclabendazole 357.95 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 NQPDXQQQCQDHHW-UHFFFAOYSA-N 50248 BRD-K81916719-001-14-7 triclabendazole 0 94.89 MicroSource 1505786 TRICLABENDAZOLE 357.95 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 NQPDXQQQCQDHHW-UHFFFAOYSA-N 50248 BRD-K81916719-001-13-9 triclabendazole 0 98.03 Selleck S4114 Triclabendazole 357.95 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 NQPDXQQQCQDHHW-UHFFFAOYSA-N 50248 BRD-K25029121-001-07-9 triclocarban 0 96.34 MedChemEx HY-B1805 Triclocarban 313.978 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ICUTUKXCWQYESQ-UHFFFAOYSA-N 7547 BRD-K25029121-001-05-8 triclocarban 0 97.9 ChemDiv 8003-0506 313.978 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ICUTUKXCWQYESQ-UHFFFAOYSA-N 7547 BRD-K41731458-001-15-1 triclosan 0 99.42 MicroSource 1505465 TRICLOSAN 287.951 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl XEFQLINVKFYRCS-UHFFFAOYSA-N 5564 BRD-A22152765-003-10-0 tridihexethyl 0 94 Prestwick Prestw-1042 Tridihexethyl chloride 318.28 CC[N+](CC)(CC)CC[C@@](O)(C1CCCCC1)c1ccccc1 |&1:9| NPRHVSBSZMAEIN-NRFANRHFSA-N 6604470 BRD-K37111771-300-02-6 trientine 0 100 MicroSource 1505675 TRIENTINE HYDROCHLORIDE 146.153 NCCNCCNCCN VILCJCGEZXAXTO-UHFFFAOYSA-N 5565 BRD-K37111771-001-09-9 trientine 0 100 Sigma MFCD00008169 Triethylenetetramine 146.153 NCCNCCNCCN VILCJCGEZXAXTO-UHFFFAOYSA-N 5565 BRD-K00005342-001-01-9 trifloxystrobin 0 97.32 MedChemEx HY-123230 Trifloxystrobin 408.13 CO\N=C(\C(=O)OC)c1ccccc1CO\N=C(/C)c1cccc(c1)C(F)(F)F ONCZDRURRATYFI-TVJDWZFNSA-N 11664966 BRD-K89732114-300-20-9 trifluoperazine 0 94.55 MedChemEx HY-B0532A Trifluoperazine (dihydrochloride) 407.164 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 ZEWQUBUPAILYHI-UHFFFAOYSA-N 5566 BRD-K89732114-300-15-4 trifluoperazine 0 96.64 Selleck S3201 Trifluoperazine 2HCl 407.164 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 ZEWQUBUPAILYHI-UHFFFAOYSA-N 5566 BRD-K89732114-300-14-7 trifluoperazine 0 93.65 MicroSource 1500591 TRIFLUOPERAZINE HYDROCHLORIDE 407.164 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 ZEWQUBUPAILYHI-UHFFFAOYSA-N 5566 BRD-K89732114-300-13-9 trifluoperazine 0 80.96 Selleck S3201 Trifluoperazine 2HCl 407.164 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 ZEWQUBUPAILYHI-UHFFFAOYSA-N 5566 BRD-K63675182-003-25-9 triflupromazine 0 97.93 MedChemEx HY-B0909 Triflupromazine (hydrochloride) 352.122 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F XSCGXQMFQXDFCW-UHFFFAOYSA-N 5568 BRD-K63675182-003-23-6 triflupromazine 0 96.33 MicroSource 1503118 TRIFLUPROMAZINE HYDROCHLORIDE 352.122 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F XSCGXQMFQXDFCW-UHFFFAOYSA-N 5568 BRD-K63675182-003-22-8 triflupromazine 0 94.76 Selleck S4372 Triflupromazine HCl 352.122 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F XSCGXQMFQXDFCW-UHFFFAOYSA-N 5568 BRD-K03243820-001-24-6 trifluridine 0 90.75 Tocris 4460 Trifluorothymidine 296.062 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F VSQQQLOSPVPRAZ-RRKCRQDMSA-N 6256 BRD-A64485570-001-12-8 BRD-K03243820-001-25-3 trifluridine 0 96.52 MicroSource 1504183 TRIFLURIDINE 296.062 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F VSQQQLOSPVPRAZ-RRKCRQDMSA-N 6256 BRD-A64485570-001-11-0 BRD-K03243820-001-23-8 trifluridine 0 95.32 Selleck S1778 Trifluridine (Viroptic) 296.062 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F VSQQQLOSPVPRAZ-RRKCRQDMSA-N 6256 BRD-K03243820-001-22-0 trifluridine 0 88.53 Selleck S1778 Trifluridine 296.062 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F VSQQQLOSPVPRAZ-RRKCRQDMSA-N 6256 BRD-K71696703-001-08-7 triflusal 0 0 MedChemEx HY-B0531 2-(acetyloxy)-4-(trifluoromethyl)benzoic acid 248.03 CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F RMWVZGDJPAKBDE-UHFFFAOYSA-N 9458 BRD-K71696703-001-11-1 triflusal 0 86.04 MedChemEx HY-B0531 Triflusal 248.03 CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F RMWVZGDJPAKBDE-UHFFFAOYSA-N 9458 BRD-K71696703-001-07-9 triflusal 0 94.75 Selleck S3200 Triflusal 248.03 CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F RMWVZGDJPAKBDE-UHFFFAOYSA-N 9458 BRD-K71696703-001-09-5 triflusal 0 0 MedChemEx HY-B0531 Triflusal 248.03 CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F RMWVZGDJPAKBDE-UHFFFAOYSA-N 9458 BRD-K71696703-001-06-1 triflusal 0 0 Selleck S3200 Triflusal 248.03 CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F RMWVZGDJPAKBDE-UHFFFAOYSA-N 9458 BRD-K69231085-003-05-7 trigonelline 0 100 Enzo NP322 Trigonelline HCl 138.056 C[n+]1cccc(c1)C(O)=O WWNNZCOKKKDOPX-UHFFFAOYSA-O 5571 BRD-K00003691-003-01-9 trihexyphenidyl 0 93.48 MedChemEx HY-B1277 Trihexyphenidyl (hydrochloride) 301.241 O[C@@](CCN1CCCCC1)(C1CCCCC1)c1ccccc1 |&1:1| HWHLPVGTWGOCJO-HXUWFJFHSA-N 207845 BRD-K00003412-300-01-9 trilaciclib 0 86.11 MedChemEx HY-101467A Trilaciclib hydrochloride 446.254 CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 PDGKHKMBHVFCMG-UHFFFAOYSA-N 68029831 BRD-A04497688-001-05-9 trilostane 0 87.59 MicroSource 1504566 TRILOSTANE 329.199 "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)[C@@H](C[C@]35C)C#N)[C@@H]1CC[C@@H]2O |a:1,4,5,8,10,15,19,22,&1:13|" RLQVKDVIBJCQGE-PORJLZOZSA-N 5311487 BRD-A99644790-001-02-4 BRD-A04497688-001-03-4 trilostane 0 99.44 MedChemEx HY-14281 Trilostane 329.199 "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)[C@@H](C[C@]35C)C#N)[C@@H]1CC[C@@H]2O |a:1,4,5,8,10,15,19,22,&1:13|" RLQVKDVIBJCQGE-PORJLZOZSA-N 5311487 BRD-A04497688-001-04-2 trilostane 0 94.4 Selleck S1404 Trilostane 329.199 "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)[C@@H](C[C@]35C)C#N)[C@@H]1CC[C@@H]2O |a:1,4,5,8,10,15,19,22,&1:13|" RLQVKDVIBJCQGE-PORJLZOZSA-N 5311487 BRD-A66155091-001-01-8 BRD-K36851334-001-12-1 TRIM 0 0 Tocris 919 TRIM 212.056 FC(F)(F)c1ccccc1-n1ccnc1 WZBWBNCQUTXYEL-UHFFFAOYSA-N 1359 BRD-K00003635-050-01-9 trimebutine 0 96.27 MedChemEx HY-B0380A Trimebutine (maleate) 387.205 CC[C@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1 |&1:2| LORDFXWUHHSAQU-JOCHJYFZSA-N 13248159 BRD-K88366685-300-07-9 trimetazidine 0 98.63 MedChemEx HY-B0968 Trimetazidine (dihydrochloride) 266.163 COc1ccc(CN2CCNCC2)c(OC)c1OC UHWVSEOVJBQKBE-UHFFFAOYSA-N 21109 BRD-K88366685-300-06-0 trimetazidine 0 93.14 MicroSource 1506088 TRIMETAZIDINE DIHYDROCHLORIDE 266.163 COc1ccc(CN2CCNCC2)c(OC)c1OC UHWVSEOVJBQKBE-UHFFFAOYSA-N 21109 BRD-K16606819-001-10-1 trimethadione 0 12.34 MicroSource 1505466 TRIMETHADIONE 143.058 CN1C(=O)OC(C)(C)C1=O IRYJRGCIQBGHIV-UHFFFAOYSA-N 5576 BRD-K16606819-001-13-5 trimethadione 0 0 MedChemEx HY-A0092 Trimethadione 143.058 CN1C(=O)OC(C)(C)C1=O IRYJRGCIQBGHIV-UHFFFAOYSA-N 5576 BRD-K16606819-001-11-9 trimethadione 0 0 Sigma MFCD00047084 "3,5,5-trimethyl-1,3-oxazolidine-2,4-dione" 143.058 CN1C(=O)OC(C)(C)C1=O IRYJRGCIQBGHIV-UHFFFAOYSA-N 5576 BRD-K16606819-001-12-7 trimethadione 0 0 MedChemEx HY-A0092 Trimethadione 143.058 CN1C(=O)OC(C)(C)C1=O IRYJRGCIQBGHIV-UHFFFAOYSA-N 5576 BRD-K34415467-003-13-0 trimethobenzamide 0 98.53 MicroSource 1500594 TRIMETHOBENZAMIDE HYDROCHLORIDE 388.2 COc1cc(cc(OC)c1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 FEZBIKUBAYAZIU-UHFFFAOYSA-N 5577 BRD-K34415467-003-14-8 trimethobenzamide 0 99.34 CombiBlocks QW-6647 Trimethobenzamide hydrochloride 388.2 COc1cc(cc(OC)c1OC)C(=O)NCc1ccc(OCCN(C)C)cc1 FEZBIKUBAYAZIU-UHFFFAOYSA-N 5577 BRD-K07208025-001-31-3 trimethoprim 0 98.65 MicroSource 1500595 TRIMETHOPRIM 290.138 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC IEDVJHCEMCRBQM-UHFFFAOYSA-N 5578 BRD-K07208025-001-29-7 trimethoprim 0 98.69 Selleck S3129 Trimethoprim 290.138 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC IEDVJHCEMCRBQM-UHFFFAOYSA-N 5578 BRD-A56241705-003-01-2 trimethoquinol 0 85.22 Sigma PH013924 "1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol hydrochloride" 345.158 COc1cc(C[C@H]2NCCc3cc(O)c(O)cc23)cc(OC)c1OC |&1:6| RGVPOXRFEPSFGH-CQSZACIVSA-N 12224034 BRD-K24483849-001-01-8 trimethylolpropane-triacrylate 0 75.72 Sigma MFCD00008628 "2,2-bis[(acryloyloxy)methyl]butyl acrylate" 296.126 CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C DAKWPKUUDNSNPN-UHFFFAOYSA-N 27423 BRD-K53220666-001-02-6 trimetozine 0 99.51 MicroSource 1504214 TRIMETOZINE 281.126 COc1cc(cc(OC)c1OC)C(=O)N1CCOCC1 XWVOEFLBOSSYGM-UHFFFAOYSA-N 12478 BRD-K53220666-001-03-9 trimetozine 0 95.43 Sigma MFCD00023351 "4-(3,4,5-TRIMETHOXYBENZOYL)-MORPHOLINE" 281.126 COc1cc(cc(OC)c1OC)C(=O)N1CCOCC1 XWVOEFLBOSSYGM-UHFFFAOYSA-N 12478 BRD-K13642819-001-02-9 trimetrexate 0 97.2 MedChemEx HY-10373 Trimetrexate 369.18 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC NOYPYLRCIDNJJB-UHFFFAOYSA-N 5583 BRD-K01825162-050-02-9 trimipramine 0 95.57 MedChemEx HY-B1213 Trimipramine (maleate) 294.21 C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc12 |&1:1| ZSCDBOWYZJWBIY-INIZCTEOSA-N 6604024 BRD-K54790157-001-16-9 trioxsalen 0 95.43 MedChemEx HY-B1157 Trioxsalen 228.079 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 FMHHVULEAZTJMA-UHFFFAOYSA-N 5585 BRD-K54790157-001-15-5 trioxsalen 0 97.99 MicroSource 1500596 TRIOXSALEN 228.079 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 FMHHVULEAZTJMA-UHFFFAOYSA-N 5585 BRD-K57033106-048-04-4 tripelennamine 0 96.05 MicroSource 1500597 TRIPELENNAMINE CITRATE 255.174 CN(C)CCN(Cc1ccccc1)c1ccccn1 UFLGIAIHIAPJJC-UHFFFAOYSA-N 5587 BRD-K57033106-003-19-7 tripelennamine 0 96.93 Selleck S3146 Tripelennamine HCl 255.174 CN(C)CCN(Cc1ccccc1)c1ccccn1 UFLGIAIHIAPJJC-UHFFFAOYSA-N 5587 BRD-K57033106-003-20-9 tripelennamine 0 92.02 MedChemEx HY-17428 Tripelennamine (hydrochloride) 255.174 CN(C)CCN(Cc1ccccc1)c1ccccn1 UFLGIAIHIAPJJC-UHFFFAOYSA-N 5587 BRD-K11742128-003-23-4 triprolidine 0 98.84 MicroSource 1500598 TRIPROLIDINE HYDROCHLORIDE 278.178 Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 CBEQULMOCCWAQT-WOJGMQOQSA-N 5282443 BRD-K11742128-003-22-6 triprolidine 0 95.08 Tocris 662 trans-Triprolidine hydrochloride 278.178 Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 CBEQULMOCCWAQT-WOJGMQOQSA-N 5282443 BRD-K19427720-001-01-6 triptan 0 0 Sigma 92340 "2,2,3-trimethylbutane" 100.125 CC(C)C(C)(C)C ZISSAWUMDACLOM-UHFFFAOYSA-N 10044 BRD-K39484304-001-14-0 triptolide 0 90.44 Tocris 3253 Triptolide 360.157 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O |c:17| DFBIRQPKNDILPW-CIVMWXNOSA-N 107985 BRD-K39484304-001-16-5 triptolide 0 97.24 Selleck S3604 Triptolide (PG490) 360.157 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O |c:17| DFBIRQPKNDILPW-CIVMWXNOSA-N 107985 BRD-K81258678-001-01-0 BRD-K39484304-001-11-6 triptolide 0 98.14 Selleck S3604 Triptolide 360.157 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O |c:17| "InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1" 107985 BRD-K62685538-001-01-7 triptorelin 0 93.55 Enzo DL310 Triptorelin acetate 1310.631 CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O VXKHXGOKWPXYNA-PGBVPBMZSA-N 25074470 BRD-K62685538-001-02-9 triptorelin 0 96.28 MedChemEx HY-12551 Luteinizing hormone- releasing factor 1310.631 CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O VXKHXGOKWPXYNA-PGBVPBMZSA-N 25074470 BRD-K76375510-237-01-1 troclosene 0 0 MicroSource 1506193 TROCLOSENE POTASSIUM 196.939 Cln1c(=O)[nH]c(=O)n(Cl)c1=O CEJLBZWIKQJOAT-UHFFFAOYSA-N 16726 BRD-K76375510-001-02-9 troclosene 0 0 Sigma MFCD20529107 "1,3-dichloro-6-hydroxy-1,3,5-triazine-2,4(1H,3H)-dione" 196.939 Cln1c(=O)[nH]c(=O)n(Cl)c1=O CEJLBZWIKQJOAT-UHFFFAOYSA-N 16726 BRD-K00003124-389-01-9 trodusquemine 0 95.5 MedChemEx HY-12219A MSI-1436 lactate 684.522 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C WUJVPODXELZABP-FWJXURDUSA-N 9917968 BRD-K83502127-001-01-6 trofinetide 0 44.1 Sigma MFCD00144405 (2S)-2-({[(2S)-1-(aminoacetyl)-2-pyrrolidinyl]carbonyl}amino)pentanedioic acid 301.127 NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(O)=O JJGBXTYGTKWGAT-YUMQZZPRSA-N 3080768 BRD-A91386192-001-07-9 trofosfamide 0 0 Sigma MFCD00866435 "N,N,3-tris(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide" 322.017 "ClCCN(CCCl)[P@@]1(=O)OCCCN1CCCl |&1:7,r|" UMKFEPPTGMDVMI-KRWDZBQOSA-N 9576166 BRD-A13084692-001-20-7 troglitazone 0 93.99 Tocris 3114 Troglitazone 441.161 "Cc1c(C)c2O[C@@](C)(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)CCc2c(C)c1O |&1:6,r|" GXPHKUHSUJUWKP-NTKDMRAZSA-N 9824580 BRD-A13084692-001-17-3 troglitazone 0 87.12 Enzo GR210 Troglitazone 441.161 "Cc1c(C)c2O[C@@](C)(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)CCc2c(C)c1O |&1:6,r|" GXPHKUHSUJUWKP-NTKDMRAZSA-N 9824580 BRD-K38310698-001-05-0 troleandomycin 0 92.6 Enzo BML-EI249-0010 Troleandomycin 813.451 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O LQCLVBQBTUVCEQ-FBZTUZAPSA-N BRD-A17846016-001-14-9 trolox 0 100 Tocris 6002 Trolox 250.121 "Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(O)=O |&1:6,r|" GLEVLJDDWXEYCO-AWEZNQCLSA-N 688071 BRD-A17846016-001-13-9 trolox 0 76.18 Enzo FR105 Trolox 250.121 "Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(O)=O |&1:6,r|" GLEVLJDDWXEYCO-AWEZNQCLSA-N 688071 BRD-K91422571-001-02-9 tromaril 0 96.68 Enamine EN300-154627 2-[(2-phenylethyl)amino]benzoic acid 241.11 OC(=O)c1ccccc1NCCc1ccccc1 HLNLBEFKHHCAMV-UHFFFAOYSA-N 31635 BRD-K91422571-001-01-8 tromaril 0 99.33 Enamine Z381346304 241.11 OC(=O)c1ccccc1NCCc1ccccc1 HLNLBEFKHHCAMV-UHFFFAOYSA-N 31635 BRD-K47978074-001-04-9 trometamol 0 100 MedChemEx HY-D0227 Tri(hydroxymethyl)aminomethane 121.074 NC(CO)(CO)CO LENZDBCJOHFCAS-UHFFFAOYSA-N 6503 BRD-K47978074-001-03-2 trometamol 0 98.51 MicroSource 1300050 TROMETHAMINE 121.074 NC(CO)(CO)CO LENZDBCJOHFCAS-UHFFFAOYSA-N 6503 BRD-K47978074-001-02-4 trometamol 0 100 Selleck S4176 Trometamol 121.074 NC(CO)(CO)CO LENZDBCJOHFCAS-UHFFFAOYSA-N 6503 BRD-A84389633-001-05-7 "tropanyl-3,5-dimethylbenzoate" 0 94.98 Tocris 641 "Tropanyl-3,5-dimethylbenzoate" 273.173 "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(C)cc(C)c1 |&1:2,&2:5,&3:7,r,TLB:0:1:3.4:6.7.8|" HDDNYFLPWFSBLN-ZSHCYNCHSA-N BRD-A34603619-001-01-9 tropesin 0 99.27 Sigma MFCD00896425 3-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)-2-phenylpropanoic acid 505.129 "COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OC[C@@H](C(O)=O)c3ccccc3)c2c1 |&1:24,r|" UCCJWNPWWPJKGL-XMMPIXPASA-N 12606305 BRD-A79672927-001-22-3 tropicamide 0 93.71 Tocris 909 Tropicamide 284.152 "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 |&1:12,r|" BGDKAVGWHJFAGW-INIZCTEOSA-N 688595 BRD-A79672927-001-23-9 tropicamide 0 92.47 Tocris 909 Tropicamide 284.152 "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 |&1:12,r|" BGDKAVGWHJFAGW-INIZCTEOSA-N 688595 BRD-A79672927-001-19-9 tropicamide 0 98.11 Tocris 909 Tropicamide 284.152 "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 |&1:12,r|" BGDKAVGWHJFAGW-INIZCTEOSA-N 688595 BRD-A79672927-001-20-7 tropicamide 0 99.63 MicroSource 1500599 TROPICAMIDE 284.152 "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 |&1:12,r|" BGDKAVGWHJFAGW-INIZCTEOSA-N 688595 BRD-A79672927-001-18-1 tropicamide 0 90.13 Selleck S1913 Tropicamide 284.152 "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 |&1:12,r|" BGDKAVGWHJFAGW-INIZCTEOSA-N 688595 BRD-K00003480-001-01-9 tropifexor 0 98.24 MedChemEx HY-107418 Tropifexor 603.145 OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |TLB:9:13:16.15:19.20.18| VYLOOGHLKSNNEK-PIIMJCKOSA-N BRD-K50866992-003-10-3 tropisetron 0 98.27 Selleck S1898 Tropisetron 284.152 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 ZNRGQMMCGHDTEI-ITGUQSILSA-N BRD-A79226577-003-19-3 BRD-K50866992-003-09-5 tropisetron 0 98.6 Tocris 2459 Tropisetron hydrochloride 284.152 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 ZNRGQMMCGHDTEI-ITGUQSILSA-N BRD-M19407551-300-01-6 BRD-K50866992-003-11-9 tropisetron 0 97.96 Tocris 2459 Tropisetron hydrochloride 284.152 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 ZNRGQMMCGHDTEI-ITGUQSILSA-N BRD-K00003641-003-01-9 trospium 0 89.72 MedChemEx HY-B0461 Trospium (chloride) 392.223 "[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N+]21CCCC1 |&1:1,4,7|" OYYDSUSKLWTMMQ-JKHIJQBDSA-N BRD-K00494077-066-02-7 trovafloxacin 0 94.93 Tocris 3863 Trovafloxacin mesylate 416.11 N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F WVPSKSLAZQPAKQ-CDMJZVDBSA-N BRD-K00494077-066-01-9 trovafloxacin 0 97.94 Enzo AC2304 Trovafloxacin mesylate 416.11 N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F WVPSKSLAZQPAKQ-CDMJZVDBSA-N BRD-K00494077-066-03-9 trovafloxacin 0 90.95 Tocris 3863 Trovafloxacin mesylate 416.11 N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F WVPSKSLAZQPAKQ-CDMJZVDBSA-N BRD-A35868371-005-01-6 troventol 0 95.22 MatrixSci 59775 332.223 "CCC(CO)(C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 |&1:2,&2:13,&3:10,TLB:7:8:11.12:15|" QFWSRMACUIYPGS-ZVBHREPYSA-N 16007396 BRD-K00989047-001-01-2 trovirdine 0 96.32 MedChemEx HY-15349 Trovirdine 336.004 Brc1ccc(NC(=S)NCCc2ccccn2)nc1 HOCFDYZWQYGULA-UHFFFAOYSA-N 3000870 BRD-K73529671-001-05-9 troxerutin 0 88.54 MedChemEx HY-N0139 Troxerutin 742.232 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IYVFNTXFRYQLRP-VVSTWUKXSA-N 5486699 BRD-K73529671-001-04-5 troxerutin 0 90.3 MicroSource 1505245 TROXERUTIN 742.232 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IYVFNTXFRYQLRP-VVSTWUKXSA-N 5486699 BRD-A74160776-001-04-4 BRD-K73529671-001-02-9 troxerutin 0 88.81 Selleck S2369 Troxerutin 742.232 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IYVFNTXFRYQLRP-VVSTWUKXSA-N 5486699 BRD-K73529671-001-03-7 troxerutin 0 86.51 Selleck S2369 Troxerutin 742.232 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IYVFNTXFRYQLRP-VVSTWUKXSA-N 5486699 BRD-K03928833-001-01-5 BRD-A68589262-001-04-3 troxipide 0 91.33 Selleck S4128 Troxipide 294.158 "COc1cc(cc(OC)c1OC)C(=O)N[C@H]1CCCNC1 |&1:15,r|" YSIITVVESCNIPR-NSHDSACASA-N 40467000 BRD-A68589262-001-06-9 troxipide 0 91.95 MedChemEx HY-B0758 Troxipide 294.158 "COc1cc(cc(OC)c1OC)C(=O)N[C@H]1CCCNC1 |&1:15,r|" YSIITVVESCNIPR-NSHDSACASA-N 40467000 BRD-A68589262-001-05-0 troxipide 0 90.85 Selleck S4128 Troxipide 294.158 "COc1cc(cc(OC)c1OC)C(=O)N[C@H]1CCCNC1 |&1:15,r|" YSIITVVESCNIPR-NSHDSACASA-N 40467000 BRD-K35626314-003-01-1 TRV130 0 90.27 MedChemEx HY-16655A TRV130 (hydrochloride) 386.203 COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 DMNOVGJWPASQDL-OAQYLSRUSA-N 66553195 BRD-K76973696-001-12-6 tryptanthrin 0 99.15 Enzo NP467 Tryptanthrin 248.059 O=C1c2ccccc2-n2c1nc1ccccc1c2=O VQQVWGVXDIPORV-UHFFFAOYSA-N 73549 BRD-K76973696-001-14-2 tryptanthrin 0 93.84 Selleck S5686 Tryptanthrin 248.059 O=C1c2ccccc2-n2c1nc1ccccc1c2=O VQQVWGVXDIPORV-UHFFFAOYSA-N 73549 BRD-K83776863-001-08-9 tryptophan 0 98.59 Sigma T4196 L-tryptophan 204.09 N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O QIVBCDIJIAJPQS-VIFPVBQESA-N 6923516 BRD-K83776863-001-05-5 tryptophan 0 0 MicroSource 1500600 TRYPTOPHAN (L) 204.09 N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O QIVBCDIJIAJPQS-VIFPVBQESA-N 6923516 BRD-K00004685-001-01-9 TS-011 0 85.42 AMS A729731 3-chloro-4-morpholino-N-(nitrosomethyl)aniline 255.077 [O-][N+]CNc1ccc(N2CCOCC2)c(Cl)c1 CQMCOBQPZDLWIX-UHFFFAOYSA-N BRD-K49685476-001-15-9 TTNPB 0 91.34 Tocris 761 TTNPB 348.209 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C FOIVPCKZDPCJJY-JQIJEIRASA-N 5289501 BRD-K49685476-001-14-2 TTNPB 0 76.41 Selleck S4627 TTNPB (Arotinoid Acid) 348.209 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C FOIVPCKZDPCJJY-JQIJEIRASA-N 5289501 BRD-K49685476-001-16-7 TTNPB 0 84.72 Selleck S4627 TTNPB 348.209 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C FOIVPCKZDPCJJY-JQIJEIRASA-N 5289501 BRD-K64852730-001-02-9 TTP-22 0 96.07 Tocris 4432 TTP 22 330.05 Cc1ccc(cc1)-c1csc2ncnc(SCCC(O)=O)c12 RAOULLCLLOGTDA-UHFFFAOYSA-N 1536915 BRD-K64852730-001-01-7 TTP-22 0 98.64 Tocris 4432 TTP 22 330.05 Cc1ccc(cc1)-c1csc2ncnc(SCCC(O)=O)c12 RAOULLCLLOGTDA-UHFFFAOYSA-N 1536915 BRD-K44590731-001-02-9 TU-2100 0 93.4 Vitas-M STK379708 bis[2-(ethoxycarbonyl)phenyl] nonanedioate 484.21 CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC LIBAUACOIKWWKP-UHFFFAOYSA-N 4342838 BRD-K44590731-001-01-7 TU-2100 0 98.81 Vitas-M STK379708 484.21 CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC LIBAUACOIKWWKP-UHFFFAOYSA-N 4342838 BRD-A19958636-065-04-4 tuaminoheptane 0 100 MicroSource 1500601 TUAMINOHEPTANE SULFATE 115.136 CCCCC[C@@H](C)N |&1:5| VSRBKQFNFZQRBM-SSDOTTSWSA-N 6992808 BRD-A19958636-001-05-9 tuaminoheptane 0 0 MedChemEx HY-B0952 2-Aminoheptane 115.136 CCCCC[C@@H](C)N |&1:5| VSRBKQFNFZQRBM-SSDOTTSWSA-N 6992808 BRD-K00627859-003-03-7 tubastatin-A 0 92.67 Selleck S2627 Tubastatin A HCl 335.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO GOVYBPLHWIEHEJ-UHFFFAOYSA-N 49850262 BRD-K00627859-001-07-2 tubastatin-A 0 46.55 Selleck S8049 Tubastatin A 335.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO GOVYBPLHWIEHEJ-UHFFFAOYSA-N 49850262 BRD-K00627859-001-06-4 tubastatin-A 0 0.32 Selleck S8049 Tubastatin A 335.163 CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO GOVYBPLHWIEHEJ-UHFFFAOYSA-N 49850262 BRD-K99621550-300-01-8 tubocurarine 0 93.49 MicroSource 1500602 TUBOCURARINE CHLORIDE 609.296 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 JFJZZMVDLULRGK-URLMMPGGSA-O 6000 BRD-K99621550-300-04-9 tubocurarine 0 97.35 Tocris 2820 (+)-Tubocurarine chloride 609.296 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 JFJZZMVDLULRGK-URLMMPGGSA-O 6000 BRD-K26026438-001-01-0 tucatinib 0 94.53 MedChemEx HY-16069 Irbinitinib 480.202 Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 |t:14| SDEAXTCZPQIFQM-UHFFFAOYSA-N 51039094 BRD-K95216408-001-02-9 tucidinostat 0 88.6 MedChemEx HY-109015 Tucidinostat 390.149 Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1 SZMJVTADHFNAIS-BJMVGYQFSA-N 12136798 BRD-K00003336-001-01-9 tuftsin 0 95.02 MedChemEx HY-P0240 Tuftsin 500.307 C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O IESDGNYHXIOKRW-YXMSTPNBSA-N 156080 BRD-K56086081-001-01-7 TUG-770 0 96.74 MedChemEx HY-15697 TUG-770 307.101 OC(=O)CCc1ccc(cc1F)C#Cc1ccccc1CC#N KIZUBVPJNPVIIN-UHFFFAOYSA-N 66553168 BRD-K24282351-001-02-9 TUG-891 0 97.1 Tocris 4601 TUG 891 364.147 Cc1ccc(cc1)-c1ccc(F)cc1COc1ccc(CCC(O)=O)cc1 LPGBXHWIQNZEJB-UHFFFAOYSA-N 57522038 BRD-K24282351-001-01-4 TUG-891 0 97.49 Tocris 4601 TUG 891 364.147 Cc1ccc(cc1)-c1ccc(F)cc1COc1ccc(CCC(O)=O)cc1 LPGBXHWIQNZEJB-UHFFFAOYSA-N 57522038 BRD-K00003719-003-01-9 tulobuterol 0 91.87 MedChemEx HY-W011733 Tulobuterol hydrochloride 227.108 CC(C)(C)NC[C@H](O)c1ccccc1Cl |&1:6| YREYLAVBNPACJM-NSHDSACASA-N 688591 BRD-K00005240-001-01-9 tulrampator 0 96.55 MedChemEx HY-109046 Tulrampator 380.128 Fc1cccc(CCn2nnc3cc4C(=O)N(COc4cc3c2=O)C2CC2)c1 JHCFQXNWYDLBOG-UHFFFAOYSA-N 24857397 BRD-K28360340-001-08-3 TW-37 0 91.58 Selleck S1121 TW-37 573.219 CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O PQAPVTKIEGUPRN-UHFFFAOYSA-N 11455910 BRD-K28360340-001-05-9 TW-37 0 41.78 Selleck S1121 TW-37 573.219 CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O PQAPVTKIEGUPRN-UHFFFAOYSA-N 11455910 BRD-K94176593-001-09-4 TWS-119 0 94.08 Selleck S1590 TWS119 318.112 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 VPVLEBIVXZSOMQ-UHFFFAOYSA-N 9549289 BRD-K94176593-362-01-7 TWS-119 0 96.31 Tocris 3835 TWS 119 318.112 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 VPVLEBIVXZSOMQ-UHFFFAOYSA-N 9549289 BRD-K94176593-362-10-9 TWS-119 0 96.85 Tocris 3835 TWS 119 318.112 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 VPVLEBIVXZSOMQ-UHFFFAOYSA-N 9549289 BRD-K36040345-001-02-9 TXA127 0 96.53 MedChemEx HY-12403 Angiotensin (1-7) 898.466 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O PVHLMTREZMEJCG-GDTLVBQBSA-N 46878481 BRD-K36040345-001-01-1 TXA127 0 81.74 MedChemEx HY-12403 Angiotensin (1-7) 898.466 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O PVHLMTREZMEJCG-GDTLVBQBSA-N 46878481 BRD-K66584608-001-02-1 TY-52156 0 33.59 Tocris 5328 TY 52156 363.091 CC(C)(C)C(=O)C(Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1 XONRRGIRSGNWFP-UHFFFAOYSA-N 16046248 BRD-K66584608-001-03-9 TY-52156 0 88.43 MedChemEx HY-19736 TY-52156 363.091 CC(C)(C)C(=O)C(Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1 XONRRGIRSGNWFP-UHFFFAOYSA-N 16046248 BRD-K66584608-001-01-3 TY-52156 0 78.39 MedChemEx HY-19736 TY-52156 363.091 CC(C)(C)C(=O)C(Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1 XONRRGIRSGNWFP-UHFFFAOYSA-N 16046248 BRD-K37753391-046-02-4 tylosin 0 24.27 MicroSource 1505312 TYLOSIN TARTRATE 915.519 "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |t:46,49|" WBPYTXDJUQJLPQ-CQICKBAWSA-N 134129704 BRD-K37753391-001-05-9 tylosin 0 100 MedChemEx HY-B0519A Tylosin 915.519 "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |t:46,49|" WBPYTXDJUQJLPQ-CQICKBAWSA-N 134129704 BRD-K37753391-046-03-2 tylosin 0 94.95 Selleck S3162 Tylosin tartrate 915.519 "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |t:46,49|" WBPYTXDJUQJLPQ-CQICKBAWSA-N 134129704 BRD-K90749417-046-01-8 BRD-K64414150-001-01-7 tymazoline 0 53.77 Sigma MFCD00867736 "2-[(2-isopropyl-5-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole" 232.158 CC(C)c1ccc(C)cc1OCC1=NCCN1 |t:13| QRORCRWSRPKEHR-UHFFFAOYSA-N 34154 BRD-K40255344-001-17-6 tyrphostin-A9 0 94.87 Selleck S2895 Tyrphostin 9 282.173 CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C MZOPWQKISXCCTP-UHFFFAOYSA-N 5614 BRD-K40255344-001-13-5 tyrphostin-A9 0 95.09 Enzo EI-215 Tyrphostin 9 282.173 CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C "InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3" 5614 BRD-K76064317-001-08-1 tyrphostin-AG-1296 0 99.91 Selleck S8024 Tyrphostin AG 1296 266.106 COc1cc2ncc(nc2cc1OC)-c1ccccc1 QNOXYUNHIGOWNY-UHFFFAOYSA-N 2049 BRD-K76064317-001-07-3 tyrphostin-AG-1296 0 97.98 Selleck S8024 Tyrphostin AG 1296 266.106 COc1cc2ncc(nc2cc1OC)-c1ccccc1 QNOXYUNHIGOWNY-UHFFFAOYSA-N 2049 BRD-K68336408-001-10-9 tyrphostin-AG-1478 0 98.06 Selleck S2728 AG-1478 (Tyrphostin AG-1478) 315.077 COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC GFNNBHLJANVSQV-UHFFFAOYSA-N 2051 BRD-K49657628-001-14-8 tyrphostin-AG-18 0 79.52 Tocris 493 AG 18 186.043 Oc1ccc(C=C(C#N)C#N)cc1O VTJXFTPMFYAJJU-UHFFFAOYSA-N 2052 BRD-K49657628-001-13-0 tyrphostin-AG-18 0 50.16 Selleck S8009 AG-18 186.043 Oc1ccc(C=C(C#N)C#N)cc1O VTJXFTPMFYAJJU-UHFFFAOYSA-N 2052 BRD-K49657628-001-15-5 tyrphostin-AG-18 0 87.88 Selleck S8009 AG 18 (Tyrphostin 23) 186.043 Oc1ccc(C=C(C#N)C#N)cc1O VTJXFTPMFYAJJU-UHFFFAOYSA-N 2052 BRD-K34533029-001-09-9 tyrphostin-AG-494 0 93.17 Tocris 619 AG 494 280.085 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O HKHOVJYOELRGMV-XYOKQWHBSA-N 5328771 BRD-K34533029-001-08-5 tyrphostin-AG-494 0 92.4 Tocris 619 AG 494 280.085 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O HKHOVJYOELRGMV-XYOKQWHBSA-N 5328771 BRD-K87919739-001-07-5 tyrphostin-AG-825 0 67.33 Tocris 1555 AG 825 397.055 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O KXDONFLNGBQLTN-WUXMJOGZSA-N 6091659 BRD-K87919739-001-08-9 tyrphostin-AG-825 0 87.11 Tocris 1555 AG 825 397.055 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O KXDONFLNGBQLTN-WUXMJOGZSA-N 6091659 BRD-K17415526-001-04-9 tyrphostin-AG-835 0 93.62 Tocris 579 "Tyrphostin B44, (+) enantiomer" 308.116 C[C@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 UMGQVUWXNOJOSJ-DGGAMASNSA-N 5328769 BRD-K17415526-001-03-5 tyrphostin-AG-835 0 93.78 Tocris 579 "Tyrphostin B44, (+) enantiomer" 308.116 C[C@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 UMGQVUWXNOJOSJ-DGGAMASNSA-N 5328769 BRD-K59469039-001-09-8 tyrphostin-AG-879 0 96.11 Selleck S2816 Tyrphostin AG 879 (AG 879) 316.161 CC(C)(C)c1cc(\C=C(/C#N)C(N)=S)cc(c1O)C(C)(C)C XRZYELWZLNAXGE-KPKJPENVSA-N 135419190 BRD-K59469039-001-08-0 tyrphostin-AG-879 0 91.01 Selleck S2816 Tyrphostin AG 879 316.161 CC(C)(C)c1cc(\C=C(/C#N)C(N)=S)cc(c1O)C(C)(C)C XRZYELWZLNAXGE-KPKJPENVSA-N 135419190 BRD-K60184833-001-06-9 tyrphostin-AG-99 0 94.33 Tocris 497 AG 99 204.053 NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N USOXQZNJFMKTKJ-XVNBXDOJSA-N 5328768 BRD-K60184833-001-05-6 tyrphostin-AG-99 0 96.88 Tocris 497 AG 99 204.053 NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N USOXQZNJFMKTKJ-XVNBXDOJSA-N 5328768 BRD-K03635852-001-02-0 U-0124 0 94.09 Tocris 1868 U0124 226.035 CSC(=N)C(C#N)C(C#N)C(=N)SC GXGXSVFKGDVBMD-UHFFFAOYSA-N 75645652 BRD-K03635852-001-03-9 U-0124 0 82.65 Tocris 1868 U0124 226.035 CSC(=N)C(C#N)C(C#N)C(=N)SC GXGXSVFKGDVBMD-UHFFFAOYSA-N 75645652 BRD-K18787491-001-10-2 U-0126 0 93.15 Selleck S1102 U0126-EtOH 380.088 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N ZCHZSBUNJOCWCW-UHFFFAOYSA-N 54539763 BRD-M37437038-001-01-8 BRD-K18787491-001-08-6 U-0126 0 90.68 Tocris 1144 U0126 380.088 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N ZCHZSBUNJOCWCW-UHFFFAOYSA-N 54539763 BRD-K18787491-001-14-9 U-0126 0 37.81 Tocris 1144 U0126 380.088 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N ZCHZSBUNJOCWCW-UHFFFAOYSA-N 54539763 BRD-K18787491-001-11-0 U-0126 0 60.55 Selleck S1102 U0126-EtOH 380.088 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N ZCHZSBUNJOCWCW-UHFFFAOYSA-N 54539763 BRD-M92812175-001-01-7 BRD-K08953028-001-09-6 U-0521 0 98.18 SantaCruz sc-200745 180.079 CC(C)C(=O)c1ccc(O)c(O)c1 VDQLKIBLTMPAHI-UHFFFAOYSA-N 21632 BRD-K77867004-001-04-9 U-104 0 95.2 Tocris 4540 U 104 309.058 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 YJQZNWPYLCNRLP-UHFFFAOYSA-N 310360 BRD-K77867004-001-02-7 U-104 0 96.73 Selleck S2866 U-104 309.058 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 YJQZNWPYLCNRLP-UHFFFAOYSA-N 310360 BRD-K77867004-001-03-5 U-104 0 96.75 Tocris 4540 U 104 309.058 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 YJQZNWPYLCNRLP-UHFFFAOYSA-N 310360 BRD-K22025381-003-02-9 U-18666A 0 95.6 Tocris 1638 U 18666A 387.314 CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 |c:27| DMZCCFMMPHJWQY-BKWLFHPQSA-N 9954083 BRD-K22025381-003-01-9 U-18666A 0 99.54 Tocris 1638 U 18666A 387.314 CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 |c:27| DMZCCFMMPHJWQY-BKWLFHPQSA-N 9954083 BRD-K53532120-003-10-3 U-50488-(-) 0 96.56 Tocris 496 (-)-U-50488 hydrochloride 368.142 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 VQLPLYSROCPWFF-ROUUACIJSA-N 6604724 BRD-K53532120-003-12-9 U-50488-(-) 0 95.74 Tocris 496 (-)-U-50488 hydrochloride 368.142 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 VQLPLYSROCPWFF-ROUUACIJSA-N 6604724 BRD-K53532120-003-11-1 U-50488-(-) 0 97.11 Tocris 495 (?)-U-50488 hydrochloride 368.142 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 VQLPLYSROCPWFF-ROUUACIJSA-N 6604724 BRD-M57185017-300-01-9 BRD-K53532120-003-09-5 U-50488-(-) 0 96.86 Tocris 496 (-)-U-50488 hydrochloride 368.142 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 VQLPLYSROCPWFF-ROUUACIJSA-N 6604724 BRD-K20995441-001-03-9 U-54494A 0 94.81 Tocris 498 U-54494A hydrochloride 354.127 CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 JUBNVWGVNWIXMB-SJORKVTESA-N 183470 BRD-K20995441-001-02-5 U-54494A 0 96.38 Tocris 498 U-54494A hydrochloride 354.127 CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 JUBNVWGVNWIXMB-SJORKVTESA-N 183470 BRD-K77070363-001-01-5 U-75799E 0 86.33 Adooq A13464 "(2S,5R,8S,11S,14R,17S)-17-amino-2-(4-aminobutyl)-5-benzyl-18-(1H-imidazol-5-yl)-8,14-bis(1H-indol-3-ylmethyl)-11-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-amide" 872.445 C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O WZHKXNSOCOQYQX-FUAFALNISA-N 9919153 BRD-K70281171-050-08-9 U-99194 0 94.8 Tocris 1357 U 99194 maleate 277.204 CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 UOLJKAPABHXFRE-UHFFFAOYSA-N 5626 BRD-K38966689-300-02-9 UAMC-00039 0 95.29 Tocris 4954 UAMC 00039 dihydrochloride 309.161 N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 DNVZYSMOLXCOLY-HNNXBMFYSA-N 11232124 BRD-K38966689-300-01-5 UAMC-00039 0 84.99 Tocris 4954 UAMC 00039 dihydrochloride 309.161 N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 DNVZYSMOLXCOLY-HNNXBMFYSA-N 11232124 BRD-A14574269-051-03-0 UB-165 0 90.79 Tocris 1348 2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene fumarate 234.092 "Clc1ccc(cn1)C1=CCC[C@H]2CC[C@@H]1N2 |&1:11,&2:14,t:8,THB:4:7:12.13:15|" TVSNVPGPFGAKPT-JQWIXIFHSA-N 6604855 BRD-A14574269-051-02-2 UB-165 0 77.62 Tocris 1348 UB 165 fumarate 234.092 "Clc1ccc(cn1)C1=CCC[C@H]2CC[C@@H]1N2 |&1:11,&2:14,t:8,THB:4:7:12.13:15|" TVSNVPGPFGAKPT-JQWIXIFHSA-N 6604855 BRD-K59574735-001-13-9 ubenimex 0 92.27 Tocris 1956 Bestatin 308.174 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O VGGGPCQERPFHOB-RDBSUJKOSA-N 72172 BRD-K59574735-001-11-8 ubenimex 0 91.72 Selleck S1591 Ubenimex (Bestatin) 308.174 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O VGGGPCQERPFHOB-RDBSUJKOSA-N 72172 BRD-K59574735-001-12-6 ubenimex 0 84.66 Tocris 1956 Bestatin 308.174 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O VGGGPCQERPFHOB-RDBSUJKOSA-N 72172 BRD-A45499626-001-04-9 UBP-296 0 95.4 Tocris 2078 UBP 296 333.096 "N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O |&1:1,r|" UUIYULWYHDSXHL-NSHDSACASA-N 6420161 BRD-A45499626-001-03-6 UBP-296 0 76.19 Tocris 2078 UBP 296 333.096 "N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O |&1:1,r|" UUIYULWYHDSXHL-NSHDSACASA-N 6420161 BRD-K79753741-001-02-5 UBP-302 0 62.06 Tocris 2079 UBP 302 333.096 N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O UUIYULWYHDSXHL-NSHDSACASA-N 6420161 BRD-K79753741-001-03-3 UBP-302 0 96.2 Tocris 2079 "2-[(3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)methyl]benzoic acid" 333.096 N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O UUIYULWYHDSXHL-NSHDSACASA-N 6420161 BRD-K79753741-001-01-7 UBP-302 0 77.8 Tocris 2079 UBP 302 333.096 N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O UUIYULWYHDSXHL-NSHDSACASA-N 6420161 BRD-K09597601-001-01-2 UBP-310 0 66.8 Tocris 3621 UBP 310 353.068 Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O ZTAZUCRXCRXNSU-VIFPVBQESA-N 6420160 BRD-K09597601-001-02-9 UBP-310 0 92.8 Tocris 3621 UBP 310 353.068 Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O ZTAZUCRXCRXNSU-VIFPVBQESA-N 6420160 BRD-K73610817-001-10-9 UC-112 0 79.04 Tocris 5251 UC 112 348.184 Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12 LTGLGIQQZXSLLF-UHFFFAOYSA-N 3426979 BRD-K73610817-001-09-7 UC-112 0 85.21 Tocris 5251 UC 112 348.184 Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12 LTGLGIQQZXSLLF-UHFFFAOYSA-N 3426979 BRD-K50325075-001-03-9 UCL-2077 0 91.48 Tocris 2661 UCL 2077 350.178 C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1 PQFNWDHABGBCHB-UHFFFAOYSA-N 24868317 BRD-K50325075-001-02-1 UCL-2077 0 99.33 Tocris 2661 UCL 2077 350.178 C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1 PQFNWDHABGBCHB-UHFFFAOYSA-N 24868317 BRD-K50325075-001-04-9 UCL-2077 0 97.88 Tocris 2661 UCL 2077 350.178 C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1 PQFNWDHABGBCHB-UHFFFAOYSA-N 24868317 BRD-K00003266-001-01-9 udenafil 0 98.08 MedChemEx HY-18253 Udenafil 516.252 "CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)NCC[C@@H]1CCCN1C |&1:30,r|" IYFNEFQTYQPVOC-KRWDZBQOSA-N 135564686 BRD-K20480395-001-01-6 UF-010 0 76.99 Tocris 5588 UF 010 270.037 CCCCNNC(=O)c1ccc(Br)cc1 BVQCFCYPFJOOAV-UHFFFAOYSA-N 4596836 BRD-K20480395-001-02-9 UF-010 0 85.11 Tocris 5588 UF 010 270.037 CCCCNNC(=O)c1ccc(Br)cc1 BVQCFCYPFJOOAV-UHFFFAOYSA-N 4596836 BRD-K84173274-001-01-6 ufenamate 0 98.96 AvaChem 3123 butyl 2-[3-(trifluoromethyl)anilino]benzoate 337.129 CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F JDLSRXWHEBFHNC-UHFFFAOYSA-N 5632 BRD-K66715657-050-02-9 UH-232-(+) 0 86.89 Tocris 775 (+)-UH 232 maleate 275.225 CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C BTOJYCTUJJHANF-WMLDXEAASA-N 6604756 BRD-K66715657-050-01-0 UH-232-(+) 0 90.44 Tocris 775 (+)-UH 232 maleate 275.225 CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C BTOJYCTUJJHANF-WMLDXEAASA-N 6604756 BRD-K57011718-001-02-3 UK-356618 0 89.38 Tocris 4187 UK 356618 557.325 C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 JJHRUUKMPWUYIB-HVOSOHGQSA-N 10370504 BRD-K57011718-001-01-5 UK-356618 0 Tocris 4187 UK 356618 557.325 C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 "InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1" 10370504 BRD-K06294530-001-03-1 UK-383367 0 64.9 Tocris 4188 UK 383367 324.18 NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO ARJCBSRIPGJMAD-LLVKDONJSA-N 9818682 BRD-K06294530-001-01-5 UK-383367 0 90.91 Selleck S2224 UK 383367 324.18 NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO ARJCBSRIPGJMAD-LLVKDONJSA-N 9818682 BRD-K06294530-001-04-9 UK-383367 0 90.13 Tocris 4188 UK 383367 324.18 NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO ARJCBSRIPGJMAD-LLVKDONJSA-N 9818682 BRD-K06294530-001-02-3 UK-383367 0 95.33 Selleck S2224 UK 383367 324.18 NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO ARJCBSRIPGJMAD-LLVKDONJSA-N 9818682 BRD-K19558579-001-01-0 UK-5099 0 90.92 Tocris 4186 UK 5099 288.09 OC(=O)C(=C\c1cn(-c2ccccc2)c2ccccc12)\C#N BIZNHCWFGNKBBZ-JLHYYAGUSA-N 6438504 BRD-K19558579-001-02-9 UK-5099 0 95.88 Tocris 4186 UK 5099 288.09 OC(=O)C(=C\c1cn(-c2ccccc2)c2ccccc12)\C#N BIZNHCWFGNKBBZ-JLHYYAGUSA-N 6438504 BRD-K00003367-001-01-9 uki-1 0 100 MedChemEx HY-100415 UKI-1 613.33 CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C ISJSHQTWOHGCMM-NDEPHWFRSA-N 9895193 BRD-A61633223-001-02-8 ulifloxacin 0 79.96 Ark AK-56509 "6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid" 349.09 "C[C@H]1Sc2c(C(O)=O)c(=O)c3cc(F)c(cc3n12)N1CCNCC1 |&1:1,r|" SUXQDLLXIBLQHW-MRVPVSSYSA-N 40490637 BRD-A61633223-001-01-0 ulifloxacin 0 58.82 AKSci I873 349.09 "C[C@H]1Sc2c(C(O)=O)c(=O)c3cc(F)c(cc3n12)N1CCNCC1 |&1:1,r|" SUXQDLLXIBLQHW-MRVPVSSYSA-N 40490637 BRD-K64381438-001-02-0 ulipristal 0 0 Selleck S3081 Ulipristal 475.272 "CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36|" OOLLAFOLCSJHRE-ZHAKMVSLSA-N 130904 BRD-K55641198-001-01-0 BRD-K64381438-001-03-8 ulipristal 0 91 Selleck S3081 Ulipristal 475.272 "CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36|" OOLLAFOLCSJHRE-ZHAKMVSLSA-N 130904 BRD-K76197012-001-01-2 BRD-K64381438-001-04-9 ulipristal 0 95.69 MedChemEx HY-16508 Ulipristal (acetate) 475.272 "CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36|" OOLLAFOLCSJHRE-ZHAKMVSLSA-N 130904 BRD-K46692793-004-01-8 umeclidinium 0 98.3 MedChemEx HY-12100 Umeclidinium (bromide) 428.259 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 FVTWTVQXNAJTQP-UHFFFAOYSA-N 11519070 BRD-K46692793-004-02-9 umeclidinium 0 96.71 MedChemEx HY-12100 Umeclidinium (bromide) 428.259 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 FVTWTVQXNAJTQP-UHFFFAOYSA-N 11519070 BRD-K30933884-001-01-0 unbs-5162 0 97.44 MedChemEx HY-16509 UNBS5162 326.138 CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(C1=O)c23 WCKZRLOUKYFJDY-UHFFFAOYSA-N 16048966 BRD-K30933884-001-02-9 unbs-5162 0 94.26 MedChemEx HY-16509 UNBS5162 326.138 CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(C1=O)c23 WCKZRLOUKYFJDY-UHFFFAOYSA-N 16048966 BRD-K77428767-001-01-7 UNC0224 0 93.47 Tocris 3861 UNC0224 485.348 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 XIVUGRBSBIXXJE-UHFFFAOYSA-N 44251522 BRD-K77428767-001-02-5 UNC0224 0 77.86 Tocris 3861 UNC 0224 485.348 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 XIVUGRBSBIXXJE-UHFFFAOYSA-N 44251522 BRD-K74236984-001-04-8 UNC0321 0 91.24 MedChemEx HY-10930 UNC0321 515.358 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1 AULLUGALUBVBDD-UHFFFAOYSA-N 46901937 BRD-K74236984-001-05-5 UNC0321 0 87.18 MedChemEx HY-10930 UNC0321 515.358 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1 AULLUGALUBVBDD-UHFFFAOYSA-N 46901937 BRD-K13060017-001-01-3 UNC0631 0 96.26 MedChemEx HY-13808 UNC0631 635.489 COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C XFAXSWXKPQWHDW-UHFFFAOYSA-N 53315868 BRD-K13060017-001-02-1 UNC0631 0 93.78 MedChemEx HY-13808 UNC 0631 635.489 COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C XFAXSWXKPQWHDW-UHFFFAOYSA-N 53315868 BRD-K86856088-001-06-9 UNC0638 0 94.36 MedChemEx HY-15273 UNC0638 509.373 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 QOECJCJVIMVJGX-UHFFFAOYSA-N 46224516 BRD-K86856088-001-07-7 UNC0638 0 78.85 MedChemEx HY-15273 UNC0638 509.373 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 QOECJCJVIMVJGX-UHFFFAOYSA-N 46224516 BRD-K86856088-001-08-5 UNC0638 0 93.3 Tocris 4343 UNC 0638 509.373 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 QOECJCJVIMVJGX-UHFFFAOYSA-N 46224516 BRD-K60130390-001-02-1 UNC0642 0 97.06 MedChemEx HY-13980 UNC0642 546.349 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 RNAMYOYQYRYFQY-UHFFFAOYSA-N 53315878 BRD-K60130390-001-04-7 UNC0642 0 86.97 Tocris 5132 UNC 0642 546.349 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 RNAMYOYQYRYFQY-UHFFFAOYSA-N 53315878 BRD-K60130390-001-03-9 UNC0642 0 92.66 MedChemEx HY-13980 UNC0642 546.349 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 RNAMYOYQYRYFQY-UHFFFAOYSA-N 53315878 BRD-K87465484-001-02-7 UNC0646 0 90.65 MedChemEx HY-13807 UNC0646 621.473 COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C OUKWLRHRXOPODD-UHFFFAOYSA-N 53315882 BRD-K87465484-001-04-3 UNC0646 0 76.6 Tocris 4342 UNC 0646 621.473 COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C OUKWLRHRXOPODD-UHFFFAOYSA-N 53315882 BRD-K87465484-001-03-5 UNC0646 0 84.43 MedChemEx HY-13807 UNC0646 621.473 COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C OUKWLRHRXOPODD-UHFFFAOYSA-N 53315882 BRD-K02988401-001-01-2 UNC0737 0 82.62 SGC UNC0737 UNC0737 523.389 COc1cc2c(nc(nc2cc1OCCCN1CCCC1)C1CCCCC1)N(C)C1CCN(CC1)C(C)C ATORKVYCKKBNTF-UHFFFAOYSA-N 52953431 BRD-K83189926-001-05-9 UNC1215 0 96.21 Tocris 4666 UNC 1215 529.342 O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1 PQOOIERVZAXHBP-UHFFFAOYSA-N 57339144 BRD-K83189926-001-03-1 UNC1215 0 78.18 Selleck S7088 UNC1215 529.342 O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1 PQOOIERVZAXHBP-UHFFFAOYSA-N 57339144 BRD-K83189926-001-04-9 UNC1215 0 93.94 Selleck S7088 UNC1215 529.342 O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1 PQOOIERVZAXHBP-UHFFFAOYSA-N 57339144 BRD-K26989966-001-05-0 UNC1999 0 96.39 Tocris 4904 UNC 1999 569.348 CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C DPJNKUOXBZSZAI-UHFFFAOYSA-N 72551585 BRD-K26989966-001-04-3 UNC1999 0 86.6 Selleck S7165 UNC1999 569.348 CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C DPJNKUOXBZSZAI-UHFFFAOYSA-N 72551585 BRD-K26989966-001-03-5 UNC1999 0 92.38 Selleck S7165 UNC1999 569.348 CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C DPJNKUOXBZSZAI-UHFFFAOYSA-N 72551585 BRD-K91283740-003-01-6 UNC2025 0 96.41 MedChemEx HY-12344A UNC2025 (hydrochloride) 476.326 CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r| MJSHVHLADKXCML-RQNOJGIXSA-N BRD-K01773560-001-01-6 UNC2250 0 93.06 Selleck S7342 UNC2250 440.29 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r| HSYSSKFCQHXOBP-MXVIHJGJSA-N BRD-K01773560-001-02-4 UNC2250 0 95.44 Selleck S7342 UNC2250 440.29 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r| HSYSSKFCQHXOBP-MXVIHJGJSA-N BRD-K01773560-001-03-9 UNC2250 0 92.79 MedChemEx HY-15797 UNC2250 440.29 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r| HSYSSKFCQHXOBP-MXVIHJGJSA-N BRD-K60635008-001-02-9 UNC2327 0 96.72 Tocris 5057 UNC 2327 319.11 O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1 MYTRGTBDVGKKRO-UHFFFAOYSA-N 71583615 BRD-K60635008-001-01-5 UNC2327 0 97.06 Tocris 5057 UNC 2327 319.11 O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1 MYTRGTBDVGKKRO-UHFFFAOYSA-N 71583615 BRD-K46344388-001-02-9 UNC3230 0 89.8 Tocris 5271 UNC 3230 344.131 NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1 RZCNASHHHSKTGP-UHFFFAOYSA-N 46355372 BRD-K46344388-001-01-3 UNC3230 0 96.42 Tocris 5271 UNC 3230 344.131 NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1 RZCNASHHHSKTGP-UHFFFAOYSA-N 46355372 BRD-K21906513-001-03-2 UNC669 0 69.7 Selleck S7373 UNC669 337.079 Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1 CQERVFFAOOUFEQ-UHFFFAOYSA-N 46931242 BRD-K21906513-001-04-0 UNC669 0 95.32 Selleck S7373 UNC669 337.079 Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1 CQERVFFAOOUFEQ-UHFFFAOYSA-N 46931242 BRD-K21906513-001-05-9 UNC669 0 91.33 MedChemEx HY-15839 UNC 669 337.079 Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1 CQERVFFAOOUFEQ-UHFFFAOYSA-N 46931242 BRD-K22229656-003-02-9 UNC926 0 96.06 Tocris 4516 UNC 926 hydrochloride 336.084 Brc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC1 OWGLFIKZKQOYHZ-UHFFFAOYSA-N 61041645 BRD-K22229656-003-01-5 UNC926 0 95.92 Tocris 4516 UNC 926 hydrochloride 336.084 Brc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC1 OWGLFIKZKQOYHZ-UHFFFAOYSA-N 61041645 BRD-K19189338-001-03-2 undecylenic-acid 1 25.82 MicroSource 1505468 UNDECYLENIC ACID 184.146 OC(=O)CCCCCCCCC=C FRPZMMHWLSIFAZ-UHFFFAOYSA-N 5634 BRD-K19189338-001-05-7 undecylenic-acid 1 5.79 MedChemEx HY-B0914 10-Undecenoic acid 184.146 OC(=O)CCCCCCCCC=C FRPZMMHWLSIFAZ-UHFFFAOYSA-N 5634 BRD-K00003286-001-01-9 upadacitinib 0 91.62 MedChemEx HY-19569 Upadacitinib 380.157 CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F WYQFJHHDOKWSHR-MNOVXSKESA-N 58557659 BRD-K00003218-001-01-9 upamostat 0 42.18 MedChemEx HY-16511 Upamostat 629.325 CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C HUASEDVYRABWCV-NDEPHWFRSA-N 9852201 BRD-K77950083-001-04-1 UPF-1069 0 95.76 Tocris 3736 UPF 1069 279.09 O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1 JJWMRRNGWSITSQ-UHFFFAOYSA-N 25015515 BRD-K77950083-001-03-3 UPF-1069 0 97.99 Tocris 3736 UPF 1069 279.09 O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1 JJWMRRNGWSITSQ-UHFFFAOYSA-N 25015515 BRD-K77950083-001-02-5 UPF-1069 0 97.33 Selleck S8038 UPF 1069 279.09 O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1 JJWMRRNGWSITSQ-UHFFFAOYSA-N 25015515 BRD-K77950083-001-05-9 UPF-1069 0 97.51 Tocris 3736 UPF 1069 279.09 O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1 JJWMRRNGWSITSQ-UHFFFAOYSA-N 25015515 BRD-K00003526-001-01-9 uprifosbuvir 0 87.25 MedChemEx HY-I0515 Sofosbuvir impurity K 545.133 CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1 SFPFZQKYPOWCSI-IQWMDFIBSA-N 117885113 BRD-K38332599-001-01-3 uprosertib 0 87.27 MedChemEx HY-15965 GSK2141795 428.062 Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 AXTAPYRUEKNRBA-JTQLQIEISA-N 51042438 BRD-K38332599-001-02-9 uprosertib 0 87.01 MedChemEx HY-15965 Uprosertib 428.062 Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 AXTAPYRUEKNRBA-JTQLQIEISA-N 51042438 BRD-K80129304-001-10-9 uracil 0 100 MedChemEx HY-I0960 Uracil 112.027 O=c1cc[nH]c(=O)[nH]1 ISAKRJDGNUQOIC-UHFFFAOYSA-N 1174 BRD-K80129304-001-09-9 uracil 0 100 MicroSource 1502345 URACIL 112.027 O=c1cc[nH]c(=O)[nH]1 ISAKRJDGNUQOIC-UHFFFAOYSA-N 1174 BRD-K80129304-001-08-1 uracil 0 100 Selleck S4177 Uracil 112.027 O=c1cc[nH]c(=O)[nH]1 ISAKRJDGNUQOIC-UHFFFAOYSA-N 1174 BRD-K10180294-001-07-3 uracil-mustard 0 69.59 MedChemEx HY-13544 Uramustine 251.023 ClCCN(CCCl)c1c[nH]c(=O)[nH]c1=O IDPUKCWIGUEADI-UHFFFAOYSA-N 6194 BRD-K10180294-001-04-0 uracil-mustard 0 64.37 Sigma MFCD00085645 "5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione" 251.023 ClCCN(CCCl)c1c[nH]c(=O)[nH]c1=O IDPUKCWIGUEADI-UHFFFAOYSA-N 6194 BRD-K10180294-001-06-5 uracil-mustard 0 57.62 MedChemEx HY-13544 Uramustine 251.023 ClCCN(CCCl)c1c[nH]c(=O)[nH]c1=O IDPUKCWIGUEADI-UHFFFAOYSA-N 6194 BRD-K73196317-003-15-5 urapidil 0 94.14 MicroSource 1503100 URAPIDIL HYDROCHLORIDE 387.227 COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 ICMGLRUYEQNHPF-UHFFFAOYSA-N 5639 BRD-K73196317-003-21-9 urapidil 0 97.84 Tocris 1772 Urapidil hydrochloride 387.227 COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 ICMGLRUYEQNHPF-UHFFFAOYSA-N 5639 BRD-K73196317-003-13-0 urapidil 0 95.8 Selleck S2025 Urapidil HCl 387.227 COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 ICMGLRUYEQNHPF-UHFFFAOYSA-N 5639 BRD-K73196317-003-14-8 urapidil 0 97.01 Tocris 1772 Urapidil hydrochloride 387.227 COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 ICMGLRUYEQNHPF-UHFFFAOYSA-N 5639 BRD-K92169341-001-14-9 URB597 0 95.44 Tocris 4612 URB 597 338.163 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 ROFVXGGUISEHAM-UHFFFAOYSA-N 1383884 BRD-K92169341-001-12-0 URB597 0 69.15 Tocris 4612 URB 597 338.163 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 ROFVXGGUISEHAM-UHFFFAOYSA-N 1383884 BRD-K92169341-001-11-2 URB597 0 80.92 Selleck S2631 URB597 338.163 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 ROFVXGGUISEHAM-UHFFFAOYSA-N 1383884 BRD-K92169341-001-10-4 URB597 0 4.07 Selleck S2631 URB597 338.163 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 ROFVXGGUISEHAM-UHFFFAOYSA-N 1383884 BRD-K88052444-001-10-9 urea 0 100 MedChemEx HY-Y0271 Urea 60.032 NC(N)=O XSQUKJJJFZCRTK-UHFFFAOYSA-N 1176 BRD-K88052444-001-08-8 urea 0 100 MicroSource 1500604 UREA 60.032 NC(N)=O XSQUKJJJFZCRTK-UHFFFAOYSA-N 1176 BRD-K24297741-001-05-2 urethane 1 0 MicroSource 1503304 URETHANE 89.048 CCOC(N)=O JOYRKODLDBILNP-UHFFFAOYSA-N 5641 BRD-K24297741-001-07-9 urethane 1 0 MedChemEx HY-B1207 Urethane 89.048 CCOC(N)=O JOYRKODLDBILNP-UHFFFAOYSA-N 5641 BRD-K01295354-001-02-8 uric-acid 0 100 Enamine Z104473370 168.028 O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 LEHOTFFKMJEONL-UHFFFAOYSA-N 1175 BRD-K13050303-001-18-1 uridine 0 82.91 Selleck S2029 Uridine 244.07 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O DRTQHJPVMGBUCF-XVFCMESISA-N 6029 BRD-K32566431-001-01-4 BRD-K13050303-001-17-3 uridine 0 97.91 Selleck S2029 Uridine 244.07 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O DRTQHJPVMGBUCF-XVFCMESISA-N 6029 BRD-K01825013-385-04-9 uridine-5'-triphosphate 0 0 CombiBlocks SS-7954 483.969 "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |a:1,2,18,19,&1:5,&2:9|" PGAVKCOVUIYSFO-XVFCMESISA-N 6133 BRD-K01825013-335-04-9 BRD-K18323388-001-01-1 uridine-triacetate 0 96.02 Bepharm B7900 370.101 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1ccc(=O)[nH]c1=O AUFUWRKPQLGTGF-FMKGYKFTSA-N 20058 BRD-K66908976-001-01-8 URMC-099 0 91.98 MedChemEx HY-12599 URMC-099 421.227 CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 QKKIWEILHCXECO-UHFFFAOYSA-N 54764565 BRD-K00003383-001-01-9 urolithin-A 0 94.6 MedChemEx HY-100599 Urolithin A 228.042 Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 RIUPLDUFZCXCHM-UHFFFAOYSA-N 5488186 BRD-K45245728-236-02-9 ursodeoxycholyltaurine 0 93.5 MedChemEx HY-19696A Tauroursodeoxycholate (Sodium) 499.297 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C BHTRKEVKTKCXOH-LBSADWJPSA-N 9848818 BRD-K45245728-335-01-4 ursodeoxycholyltaurine 0 100 Enzo AC2330 Tauroursodeoxy cholic acid dihydrate 499.297 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C BHTRKEVKTKCXOH-LBSADWJPSA-N 9848818 BRD-K15697815-001-15-4 ursodiol 0 100 MicroSource 1500605 URSODIOL 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C RUDATBOHQWOJDD-UZVSRGJWSA-N 31401 BRD-K15697815-001-16-2 ursodiol 0 100 Selleck S1643 Ursodiol 392.293 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C RUDATBOHQWOJDD-UZVSRGJWSA-N 31401 BRD-K87300616-001-01-9 BRD-K68185022-001-12-2 ursolic-acid 0 89.83 Sigma Y0001523 "(3beta,9alpha)-3-hydroxyurs-12-en-28-oic acid" 456.36 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| WCGUUGGRBIKTOS-GPOJBZKASA-N 64945 BRD-K68185022-001-14-8 ursolic-acid 0 90.07 Selleck S2370 Ursolic Acid 456.36 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9| WCGUUGGRBIKTOS-GPOJBZKASA-N 64945 BRD-A61767428-001-01-9 BRD-A99182808-001-05-8 usniacin-(+) 0 76.57 Selleck S2252 (+)-Usniacin 344.09 "CC(O)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@]2(C)C1=O |a:21,&1:3,t:6|" ZQHDVMCIDXEICF-GOSISDBHSA-N BRD-A12417644-001-07-6 usniacin-(+) 0 92.95 Selleck S2252 (+)-Usniacin (D-Usnic acid) 344.09 "CC(O)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O |a:21,&1:3,t:6|" ZQHDVMCIDXEICF-SFHVURJKSA-N BRD-A99182808-001-04-1 BRD-A12417644-001-06-8 usniacin-(+) 0 12.38 Selleck S2252 (+)-Usniacin 344.09 "CC(O)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O |a:21,&1:3,t:6|" ZQHDVMCIDXEICF-SFHVURJKSA-N BRD-A99182808-001-03-3 BRD-K75052463-001-01-4 V-51 0 98.78 ChemBridge 5259117 "1-(4-fluorophenyl)-4-(3,4,5-trimethoxybenzyl)piperazine" 360.185 COc1cc(CN2CCN(CC2)c2ccc(F)cc2)cc(OC)c1OC KKCOGNFFBYOKMA-UHFFFAOYSA-N 1376860 BRD-K00003306-001-01-9 vaborbactam 0 95.26 MedChemEx HY-19930 Vaborbactam 297.084 OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 IOOWNWLVCOUUEX-WPRPVWTQSA-N 56649692 BRD-K00003407-001-01-9 vadadustat 0 98.2 MedChemEx HY-101277 Vadadustat 306.041 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1 JGRXMPYUTJLTKT-UHFFFAOYSA-N 23634441 BRD-K00004630-001-01-9 val-tyr 0 100 Sigma V5626 (2S)-2-{[(2S)-2-amino-3-methylbutanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid 280.142 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O VEYJKJORLPYVLO-RYUDHWBXSA-N 7009555 BRD-K46435977-003-12-9 valaciclovir 0 96.9 MicroSource 1505368 VALACYCLOVIR HYDROCHLORIDE 324.155 CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O HDOVUKNUBWVHOX-QMMMGPOBSA-N 135398742 BRD-K46435977-003-11-1 valaciclovir 0 97.83 Selleck S1876 Valaciclovir HCl 324.155 CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O HDOVUKNUBWVHOX-QMMMGPOBSA-N 135398742 BRD-K46435977-003-13-7 valaciclovir 0 91.85 Selleck S1876 Valaciclovir 324.155 CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O HDOVUKNUBWVHOX-QMMMGPOBSA-N 135398742 BRD-K00003233-001-01-9 valbenazine 0 88.74 MedChemEx HY-16771 Valbenazine 418.283 [H][C@]12C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CCc1cc(OC)c(OC)cc21 GEJDGVNQKABXKG-CFKGEZKQSA-N 24795069 BRD-K12994359-001-19-2 valdecoxib 0 85.93 Tocris 4206 Valdecoxib 314.073 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 LNPDTQAFDNKSHK-UHFFFAOYSA-N 119607 BRD-K12994359-001-18-4 valdecoxib 0 98.16 Selleck S4049 Valdecoxib 314.073 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 LNPDTQAFDNKSHK-UHFFFAOYSA-N 119607 BRD-A56613951-004-01-1 valethamate 0 90.39 Sigma MFCD00031617 "N,N-diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide" 306.243 "CC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1 |&1:2,&2:4|" UPPMZCXMQRVMME-SJLPKXTDSA-N 38989053 BRD-K01825663-001-01-9 valganciclovir 0 100 Selleck S4050 Valganciclovir HCl 354.165 "CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c1[nH]c(N)nc2=O |a:3,&1:9|" WPVFJKSGQUFQAP-BDAKNGLRSA-N 135483663 BRD-A08013053-003-01-2 BRD-K22938173-003-02-9 valnemulin 0 93.2 MedChemEx HY-B0027 Valnemulin (Hydrochloride) 564.36 CC(C)[C@@H](N)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3 LLYYNOVSVPBRGV-MVNKZKPCSA-N 9850878 BRD-A96644976-001-01-5 valnoctamide 0 61.43 Sigma V4765 2-ethyl-3-methylpentanamide 143.131 "CC[C@@H](C)[C@@H](CC)C(N)=O |&1:2,&2:4,r|" QRCJOCOSPZMDJY-RNFRBKRXSA-N 36689722 BRD-K41260949-236-15-0 valproic-acid 0 96.04 Selleck S1168 Valproic acid sodium salt (Sodium valproate) 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-236-18-4 valproic-acid 0 41.51 EMDBio 676380-5GM "Valproic Acid, Sodium Salt" 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-236-17-6 valproic-acid 0 31.39 Enzo 550-304 "Valproic Acid, Sodium Salt" 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-001-18-2 valproic-acid 0 65.88 Sigma MFCD00002672 2-propylpentanoic acid 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-236-21-8 valproic-acid 0 2.38 Tocris 2815 "Valproic acid, sodium salt" 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-236-20-0 valproic-acid 0 42.1 Selleck S1703 Divalproex sodium 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-M19962486-236-03-2 BRD-K41260949-236-16-8 valproic-acid 0 96.83 MicroSource 1500606 VALPROATE SODIUM 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-K41260949-236-19-2 valproic-acid 0 23.5 Selleck S1703 Divalproex Sodium 144.115 CCCC(CCC)C(O)=O NIJJYAXOARWZEE-UHFFFAOYSA-N 3121 BRD-M19962486-236-02-4 BRD-K54698528-001-01-2 valpromide 0 60.96 Sigma MFCD00051534 2-propylpentanamide 143.131 CCCC(CCC)C(N)=O OMOMUFTZPTXCHP-UHFFFAOYSA-N 71113 BRD-K32804101-001-01-8 valrocemide 0 99 Enamine Z1505862723 N-(2-amino-2-oxoethyl)-2-propylpentanamide 200.152 CCCC(CCC)C(=O)NCC(N)=O RALGCAOVRLYSMA-UHFFFAOYSA-N 6918293 BRD-K72951360-001-01-4 valrubicin 0 97.11 MedChemEx HY-13772 Valrubicin 723.214 CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1 ZOCKGBMQLCSHFP-KQRAQHLDSA-N 454216 BRD-K72951360-001-02-9 valrubicin 0 91.96 MedChemEx HY-13772 Valrubicin 723.214 CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1 ZOCKGBMQLCSHFP-KQRAQHLDSA-N 454216 BRD-K45158365-001-11-4 valsartan 0 99.42 MicroSource 1505209 VALSARTAN 435.227 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O ACWBQPMHZXGDFX-QFIPXVFZSA-N 60846 BRD-K45158365-001-12-2 valsartan 0 96.45 Tocris 4216 Valsartan 435.227 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O ACWBQPMHZXGDFX-QFIPXVFZSA-N 60846 BRD-K45158365-001-10-6 valsartan 0 98.71 Selleck S1894 Valsartan 435.227 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O ACWBQPMHZXGDFX-QFIPXVFZSA-N 60846 BRD-K45158365-001-13-9 valsartan 0 97.87 Tocris 4216 Valsartan 435.227 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O ACWBQPMHZXGDFX-QFIPXVFZSA-N 60846 BRD-K19412342-001-01-6 valspodar 0 43.76 MedChemEx HY-17384 Valspodar 1213.841 C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C YJDYDFNKCBANTM-QCWCSKBGSA-N 5281884 BRD-K19412342-001-02-4 valspodar 0 35.79 MedChemEx HY-17384 Valspodar 1213.841 C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C YJDYDFNKCBANTM-QCWCSKBGSA-N 5281884 BRD-K91065602-003-08-9 vancomycin 0 88.21 Tocris 5506 Vancomycin HCl 1447.43 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 MYPYJXKWCTUITO-LYRMYLQWSA-N 14969 BRD-K91065602-003-07-9 vancomycin 0 71.7 MedChemEx HY-17362 Vancomycin (hydrochloride) 1447.43 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 MYPYJXKWCTUITO-LYRMYLQWSA-N 14969 BRD-K91065602-001-01-8 vancomycin 0 81.45 MicroSource 1500607 VANCOMYCIN HYDROCHLORIDE 1447.43 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 MYPYJXKWCTUITO-LYRMYLQWSA-N 14969 BRD-K91065602-003-05-5 vancomycin 0 88.61 Selleck S2575 Vancomycin HCl (Vancocin) 1447.43 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 MYPYJXKWCTUITO-LYRMYLQWSA-N 14969 BRD-K60071190-003-01-7 BRD-K91065602-003-04-8 vancomycin 0 70.31 Selleck S2575 Vancomycin HCl (Vancocin) 1447.43 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 MYPYJXKWCTUITO-LYRMYLQWSA-N 14969 BRD-K77625799-001-13-9 vandetanib 0 98.52 MedChemEx HY-10260 Vandetanib 474.107 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 UHTHHESEBZOYNR-UHFFFAOYSA-N 3081361 BRD-K77625799-001-07-7 vandetanib 0 97.69 Selleck S1046 Vandetanib (ZD6474) 474.107 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 UHTHHESEBZOYNR-UHFFFAOYSA-N 3081361 BRD-K24258499-001-08-9 vanillin 0 98.63 MedChemEx HY-N0098 Vanillin 152.047 COc1cc(C=O)ccc1O MWOOGOJBHIARFG-UHFFFAOYSA-N 1183 BRD-K24258499-001-05-8 vanillin 0 93.59 Selleck S3071 Vanillin 152.047 COc1cc(C=O)ccc1O MWOOGOJBHIARFG-UHFFFAOYSA-N 1183 BRD-K33510429-001-03-1 vanillylacetone 0 98.97 Selleck S2371 Vanillylacetone 194.094 COc1cc(CCC(C)=O)ccc1O OJYLAHXKWMRDGS-UHFFFAOYSA-N 31211 BRD-K33510429-001-02-3 vanillylacetone 0 35.5 Selleck S2371 Vanillylacetone 194.094 COc1cc(CCC(C)=O)ccc1O OJYLAHXKWMRDGS-UHFFFAOYSA-N 31211 BRD-K00003445-001-01-9 vaniprevir 0 90.47 MedChemEx HY-10243 Vaniprevir 757.372 CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1cccc3CN(Cc13)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 KUQWGLQLLVFLSM-ONAXAZCASA-N 24765256 BRD-K26502378-001-07-9 vanitiolide 0 92.27 MicroSource 1504348 VANITIOLIDE 253.077 COc1cc(ccc1O)C(=S)N1CCOCC1 WQYRHRAZNNRDIA-UHFFFAOYSA-N 72146 BRD-K26502378-001-08-9 vanitiolide 0 95.56 Sigma MFCD00089682 4-(4-HYDROXY-3-METHOXYPHENYLTHIOCARBONYL)MORPHOLINE 253.077 COc1cc(ccc1O)C(=S)N1CCOCC1 WQYRHRAZNNRDIA-UHFFFAOYSA-N 72146 BRD-K32501161-300-07-0 vanoxerine 0 96.73 Tocris 421 GBR 12909 dihydrochloride 450.248 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 NAUWTFJOPJWYOT-UHFFFAOYSA-N 3455 BRD-K32501161-300-12-9 vanoxerine 0 95.28 Tocris 421 GBR 12909 dihydrochloride 450.248 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 NAUWTFJOPJWYOT-UHFFFAOYSA-N 3455 BRD-K32501161-300-06-2 vanoxerine 0 96.24 Tocris 421 GBR 12909 dihydrochloride 450.248 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 NAUWTFJOPJWYOT-UHFFFAOYSA-N 3455 BRD-K00004577-001-01-9 vapendavir 0 97.98 Astatech F18154 "1,2-BENZISOXAZOLE, 3-ETHOXY-6-[2-[1-(6-METHYL-3-PYRIDAZINYL)-4-PIPERIDINYL]ETHOXY]-" 382.2 CCOc1noc2cc(OCCC3CCN(CC3)c3ccc(C)nn3)ccc12 DKSVBVKHUICELN-UHFFFAOYSA-N 504457 BRD-K13926615-003-03-3 vardenafil 0 99.24 MicroSource 1505374 VARDENAFIL HYDROCHLORIDE 488.221 CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 SECKRCOLJRRGGV-UHFFFAOYSA-N 135400189 BRD-K13926615-003-09-9 vardenafil 0 92.97 MedChemEx HY-B0442A Vardenafil (hydrochloride) 488.221 CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 SECKRCOLJRRGGV-UHFFFAOYSA-N 135400189 BRD-K13926615-394-02-8 vardenafil 0 98.82 Selleck S2515 Vardenafil HCl Trihydrate 488.221 CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 SECKRCOLJRRGGV-UHFFFAOYSA-N 135400189 BRD-K18855837-045-02-9 varenicline 0 97.1 Tocris 3754 Varenicline tartrate 211.111 "C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 |&1:1,5|" JQSHBVHOMNKWFT-DTORHVGOSA-N 5310966 BRD-K09711437-001-04-3 varespladib 0 98.89 Selleck S1110 Varespladib (LY315920) 380.137 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 BHLXTPHDSZUFHR-UHFFFAOYSA-N 155815 BRD-K73028949-001-02-8 vasopressin 0 85.73 Sigma MFCD00076738 1083.438 N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O KBZOIRJILGZLEJ-PLCMWKKKSA-N 133698096 BRD-K70163715-300-04-0 vatalanib 0 58.08 Selleck S1101 Vatalanib (PTK787) 2HCl 346.099 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 YCOYDOIWSSHVCK-UHFFFAOYSA-N 151194 BRD-K70163715-036-01-6 vatalanib 0 99.48 Tocris 5680 Vatalanib succinate 346.099 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 YCOYDOIWSSHVCK-UHFFFAOYSA-N 151194 BRD-K70163715-300-05-7 vatalanib 0 88.66 Selleck S1101 Vatalanib dihydrochloride (PTK787) 346.099 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 YCOYDOIWSSHVCK-UHFFFAOYSA-N 151194 BRD-K00003277-003-01-9 vatinoxan 0 95.42 MedChemEx HY-19057A Vatinoxan hydrochloride 418.167 [H][C@@]12C[C@@]3(CNC(=O)N3CCNS(C)(=O)=O)CCN1CCc1c2oc2ccccc12 GTBKISRCRQUFNL-OXJNMPFZSA-N 163952 BRD-K36338614-001-01-3 VBY-825 0 69.77 MedChemEx HY-15958 VBY-825 535.176 CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1 PPUXXDKQNAHHON-BJLQDIEVSA-N 70945511 BRD-K36338614-001-02-1 VBY-825 0 83.23 MedChemEx HY-15958 VBY-825 535.176 CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1 PPUXXDKQNAHHON-BJLQDIEVSA-N 70945511 BRD-K75956464-237-01-5 VCH-916 0 98.31 MedChemEx HY-13465 VCH-916 459.244 "CO[C@H]1CC[C@@H](CC1)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C1=CCCCC1 |r,t:29|" LNYKGELUODVSNS-YSXIEMCBSA-N BRD-K75956464-237-02-9 VCH-916 0 91.97 MedChemEx HY-13465 VCH-916 459.244 "CO[C@H]1CC[C@@H](CC1)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C1=CCCCC1 |r,t:29|" LNYKGELUODVSNS-YSXIEMCBSA-N BRD-K26756394-001-04-9 VE-821 0 94.76 MedChemEx HY-14731 VE-821 368.094 CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 DUIHHZKTCSNTGM-UHFFFAOYSA-N 51000408 BRD-K26756394-001-02-2 VE-821 0 97.3 Selleck S8007 VE-821 368.094 CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 DUIHHZKTCSNTGM-UHFFFAOYSA-N 51000408 BRD-K04701033-001-04-7 VE-822 0 88.53 MedChemEx HY-13902 VE-822 463.168 CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C JZCWLJDSIRUGIN-UHFFFAOYSA-N 59472121 BRD-K04701033-001-01-3 VE-822 0 38.92 Selleck S7102 VE-822 463.168 CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C JZCWLJDSIRUGIN-UHFFFAOYSA-N 59472121 BRD-K04701033-001-03-9 VE-822 0 83.19 Selleck S7102 VE-822 463.168 CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C JZCWLJDSIRUGIN-UHFFFAOYSA-N 59472121 BRD-K00003503-001-01-9 vecabrutinib 0 97.63 MedChemEx HY-109078 Vecabrutinib 529.162 NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(c2)C(F)(F)F)C1=O)c1ncnc(N)c1F QLRRJMOBVVGXEJ-XHSDSOJGSA-N 72547837 BRD-K20168442-004-08-9 vecuronium 0 100 MedChemEx HY-B0118A Vecuronium (bromide) 557.432 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 BGSZAXLLHYERSY-XQIGCQGXSA-N 39765 BRD-K20168442-004-07-1 vecuronium 0 94.79 MicroSource 1505709 VECURONIUM BROMIDE 557.432 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 BGSZAXLLHYERSY-XQIGCQGXSA-N 39765 BRD-A82463680-004-02-5 BRD-K20168442-004-06-3 vecuronium 0 96.73 Selleck S1405 Vecuronium Bromide 557.432 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 BGSZAXLLHYERSY-XQIGCQGXSA-N 39765 BRD-K07365190-004-01-7 BRD-K00004714-001-01-9 vedaprofen 0 98.74 Sigma SML1721 2-(4-cyclohexyl-1-naphthyl)propanoic acid 282.162 "C[C@H](C(O)=O)c1ccc(C2CCCCC2)c2ccccc12 |&1:1,r|" VZUGVMQFWFVFBX-ZDUSSCGKSA-N 25271747 BRD-K00004580-001-01-9 velaresol 0 0 AMS O33789 velaresol 238.084 OC(=O)CCCCOc1cccc(O)c1C=O NSUDGNLOXMLAEB-UHFFFAOYSA-N 72162 BRD-K00003235-001-01-9 veledimex 0 97.45 MedChemEx HY-16785 Veledimex 438.288 CCC[C@@H](N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C LZWZPGLVHLSWQX-XMMPIXPASA-N 57751161 BRD-K12852738-001-01-2 veliflapon 0 99.55 Sigma SML0411 (2R)-cyclopentyl[4-(2-quinolinylmethoxy)phenyl]ethanoic acid 361.168 OC(=O)[C@H](C1CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZEYYDOLCHFETHQ-JOCHJYFZSA-N 123723 BRD-K87142802-001-06-9 veliparib 0 98.6 MedChemEx HY-10129 Veliparib 244.132 C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 JNAHVYVRKWKWKQ-CYBMUJFWSA-N 11960529 BRD-K06357403-001-02-2 velneperit 0 78.79 MedChemEx HY-14423 Velneperit 407.149 CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r| WGEWUYACXPEFPO-AULYBMBSSA-N BRD-K06357403-001-01-4 velneperit 0 84.28 MedChemEx HY-14423 Velneperit 407.149 CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r| WGEWUYACXPEFPO-AULYBMBSSA-N BRD-K00003133-001-01-9 velpatasvir 0 98.09 MedChemEx HY-12530 Velpatasvir 882.406 COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)c1ccccc1)c1nc(c[nH]1)-c1ccc-2c(COc3cc4c5nc([nH]c5ccc4cc-23)[C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 FHCUMDQMBHQXKK-CDIODLITSA-N 67683363 BRD-K56343971-001-14-8 vemurafenib 0 98.63 Selleck S1267 Vemurafenib 489.073 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F GPXBXXGIAQBQNI-UHFFFAOYSA-N 42611257 BRD-K56343971-001-12-2 vemurafenib 0 98.74 MedChemEx HY-12057 vemurafinib 489.073 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F GPXBXXGIAQBQNI-UHFFFAOYSA-N 42611257 BRD-K56343971-001-10-6 vemurafenib 0 95.69 Selleck S1267 "Vemurafenib (PLX4032, RG7204)" 489.073 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F GPXBXXGIAQBQNI-UHFFFAOYSA-N 42611257 BRD-K62391742-001-08-9 venetoclax 0 96.96 Selleck S8048 Venetoclax 867.318 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| LQBVNQSMGBZMKD-UHFFFAOYSA-N 49846579 BRD-K62391742-001-09-7 venetoclax 0 97.4 Adooq A12500 "2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfon;yl)benzamide" 867.318 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| LQBVNQSMGBZMKD-UHFFFAOYSA-N 49846579 BRD-K62391742-001-03-0 venetoclax 0 95.48 Selleck S8048 ABT-199 (GDC-0199) 867.318 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| LQBVNQSMGBZMKD-UHFFFAOYSA-N 49846579 BRD-K01826548-003-14-9 venlafaxine 0 86.09 Tocris 2917 Venlafaxine hydrochloride 313.181 COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1 |&1:8| PNVNVHUZROJLTJ-MRXNPFEDSA-N 11846746 BRD-K01826548-003-12-9 venlafaxine 0 94.66 Selleck S1441 Venlafaxine 313.181 COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1 |&1:8| PNVNVHUZROJLTJ-MRXNPFEDSA-N 11846746 BRD-K01826548-003-13-9 venlafaxine 0 96.92 MicroSource 1504171 VENLAFAXINE HYDROCHLORIDE 313.181 COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1 |&1:8| PNVNVHUZROJLTJ-MRXNPFEDSA-N 11846746 BRD-K32330832-001-02-8 VER-155008 0 92.19 Tocris 3803 VER 155008 555.119 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 ZXGGCBQORXDVTE-UMCMBGNQSA-N 25195348 BRD-K32330832-001-01-0 VER-155008 0 99.77 WuXi TH02357-035 VER155008 555.119 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 ZXGGCBQORXDVTE-UMCMBGNQSA-N 25195348 BRD-K38548312-001-01-0 VER-49009 0 98.19 Selleck S7458 VER-49009 387.099 CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O HUNAOTXNHVALTN-UHFFFAOYSA-N 4369536 BRD-K20177260-001-01-0 BRD-K38548312-001-02-9 VER-49009 0 97.67 MedChemEx HY-15986 VER-49009 387.099 CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O HUNAOTXNHVALTN-UHFFFAOYSA-N 4369536 BRD-K00003433-001-01-9 veralipride 0 97.67 MedChemEx HY-101797 Veralipride 383.151 "COc1cc(cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC)S(N)(=O)=O |&1:11,r|" RYJXBGGBZJGVQF-LBPRGKRZSA-N 989438 BRD-A09533288-003-29-6 verapamil 0 93.02 Selleck S4202 Verapamil HCl 454.283 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |&1:13| SGTNSNPWRIOYBX-UHFFFAOYSA-N 2520 BRD-A09533288-003-31-2 verapamil 0 97.04 MicroSource 2300307 VERAPAMIL HYDROCHLORIDE 454.283 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |&1:13| SGTNSNPWRIOYBX-UHFFFAOYSA-N 2520 BRD-K36201510-001-06-7 verbascoside 0 79.95 MedChemEx HY-N0021 Verbascoside 624.205 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O FBSKJMQYURKNSU-ZLSOWSIRSA-N 5281800 BRD-K47929404-001-01-0 vercirnon 0 95.9 MedChemEx HY-15724 Vercirnon 444.091 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 JRWROCIMSDXGOZ-UHFFFAOYSA-N 10343454 BRD-K00004674-001-01-9 verdinexor 0 95.01 Adooq A16078 "(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyridin-2-yl)acrylohydrazide" 442.098 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)NNc2ccccn2)n1 OPAKEJZFFCECPN-XQRVVYSFSA-N 71492799 BRD-K00004612-001-01-9 verdiperstat 0 91.59 MedChemEx HY-17646 Verdiperstat 253.088 CC(C)OCCn1c2cc[nH]c2c(=O)[nH]c1=S FVJCUZCRPIMVLB-UHFFFAOYSA-N 11528958 BRD-K00003234-001-01-9 vericiguat 0 96.29 MedChemEx HY-16774 Vericiguat 426.136 COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12 QZFHIXARHDBPBY-UHFFFAOYSA-N 54674461 BRD-K36741660-001-01-1 verinurad 0 98.04 MedChemEx HY-16733 Verinurad 348.093 CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(O)=O YYBOLPLTQDKXPM-UHFFFAOYSA-N 54767229 BRD-K19741547-003-01-7 vernakalant 0 97.82 MedChemEx HY-14183 Vernakalant (Hydrochloride) 349.225 COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC VBHQKCBVWWUUKN-KZNAEPCWSA-N 9930049 BRD-K19741547-003-02-9 vernakalant 0 90.63 MedChemEx HY-14183 Vernakalant (Hydrochloride) 349.225 COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC VBHQKCBVWWUUKN-KZNAEPCWSA-N 9930049 BRD-K81849500-001-08-9 verteporfin 0 51.2 Tocris 5305 Verteporfin 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K81849500-001-07-7 verteporfin 0 67.61 MedChemEx HY-B0146 Verteporfin 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K81849500-001-06-9 verteporfin 0 48.37 Tocris 5305 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K81849500-001-02-8 verteporfin 0 69.27 Selleck S1786 Verteporfin (Visudyne) 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K81849500-001-05-1 verteporfin 0 50.29 Cayman 17334 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K81849500-001-01-0 verteporfin 0 18.31 Selleck S1786 Verteporfin (Visudyne) 718.3 "COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C([C@@H](C(=O)OC)[C@@]31C)C(=O)OC |c:44,t:42|" VLGTZPSSBIXGAI-SUPIZNKRSA-N BRD-K00003229-001-01-9 verubecestat 0 97.57 MedChemEx HY-16759 Verubecestat 409.102 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:3| YHYKUSGACIYRML-KRWDZBQOSA-N 51352361 BRD-K42673188-001-01-1 verubulin 0 99.3 Key EE-0048 "N-(4-methoxyphenyl)-N,2-dimethyl-4-quinazolinamine" 279.137 COc1ccc(cc1)N(C)c1nc(C)nc2ccccc12 SNHCRNMVYDHVDT-UHFFFAOYSA-N 11414799 BRD-K42673188-003-01-7 verubulin 0 97.89 Tocris 5231 MPC 6827 hydrochloride 279.137 COc1ccc(cc1)N(C)c1nc(C)nc2ccccc12 SNHCRNMVYDHVDT-UHFFFAOYSA-N 11414799 BRD-K00003180-001-01-9 verucerfont 0 99.36 MedChemEx HY-14875 Verucerfont 406.212 CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 VKHVAUKFLBBZFJ-SFHVURJKSA-N 11596613 BRD-K14765469-003-13-0 vesamicol 0 93.39 Tocris 653 (+/-)-Vesamicol hydrochloride 259.194 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 YSSBJODGIYRAMI-IAGOWNOFSA-N 659840 BRD-K14765469-003-14-9 vesamicol 0 90.99 Tocris 653 (+/-)-Vesamicol hydrochloride 259.194 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 YSSBJODGIYRAMI-IAGOWNOFSA-N 659840 BRD-K14765469-003-12-2 vesamicol 0 97.14 Tocris 653 (?)-Vesamicol hydrochloride 259.194 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 YSSBJODGIYRAMI-IAGOWNOFSA-N 659840 BRD-K13414800-001-01-3 vesnarinone 0 88.52 MedChemEx HY-15297 Vesnarinone 395.185 COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 ZVNYJIZDIRKMBF-UHFFFAOYSA-N 5663 BRD-A32269193-001-02-9 VGX-1027 0 97.21 MedChemEx HY-15507 VGX-1027 205.074 "OC(=O)C[C@H]1CC(=NO1)c1ccccc1 |&1:4,r,c:6|" MUFJHYRCIHHATF-SECBINFHSA-N 92981775 BRD-A32269193-001-01-5 VGX-1027 0 97.76 Selleck S7515 VGX-1027 205.074 "OC(=O)C[C@H]1CC(=NO1)c1ccccc1 |&1:4,r,c:6|" MUFJHYRCIHHATF-SECBINFHSA-N 92981775 BRD-K84748119-050-03-9 vicriviroc 0 98.7 MedChemEx HY-17377 Vicriviroc (maleate) 533.298 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F CNPVJJQCETWNEU-CYFREDJKSA-N 3009355 BRD-K84748119-050-01-1 vicriviroc 0 97.42 MedChemEx HY-17377 Vicriviroc (maleate) 533.298 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F CNPVJJQCETWNEU-CYFREDJKSA-N 3009355 BRD-K72093121-001-17-1 vidarabine 0 97.49 MicroSource 1500609 VIDARABINE 267.097 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O OIRDTQYFTABQOQ-UHTZMRCNSA-N 21704 BRD-K72093121-001-16-3 vidarabine 0 98.16 Selleck S1784 Vidarabine 267.097 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O OIRDTQYFTABQOQ-UHTZMRCNSA-N 21704 BRD-K01825700-213-01-9 vigabatrin 0 0 MicroSource 1502036 VIGABATRIN 190.132 N[C@@H](CCC(O)=O)C=C |&1:1| PJDFLNIOAUIZSL-RXMQYKEDSA-N 40466946 BRD-K01825700-001-02-9 vigabatrin 0 0 Tocris 808 Vigabatrin 129.079 N[C@@H](CCC(O)=O)C=C |&1:1| PJDFLNIOAUIZSL-RXMQYKEDSA-N 40466946 BRD-M36487418-001-05-5 vilanterol 0 54.71 MedChemEx HY-14300A Vilanterol (trifenatate) 773.289 OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl KLOLZALDXGTNQE-JIDHJSLPSA-N 44482554 BRD-M36487418-001-04-8|BRD-M36487418-001-04-8|BRD-M36487418-001-04-8|BRD-M36487418-001-04-8 BRD-M36487418-001-03-0 vilanterol 0 0 MedChemEx HY-14300A Vilanterol (trifenatate) 773.289 OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl KLOLZALDXGTNQE-JIDHJSLPSA-N 44482554 BRD-M36487418-001-01-4 vilanterol 0 0 MedChemEx HY-14300A Vilanterol (trifenatate) 773.289 OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl KLOLZALDXGTNQE-JIDHJSLPSA-N 44482554 BRD-M36487418-001-02-2 vilanterol 0 0 MedChemEx HY-14300A Vilanterol (trifenatate) 773.289 OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl KLOLZALDXGTNQE-JIDHJSLPSA-N 44482554 BRD-K58010567-003-02-2 vilazodone 0 94.7 MicroSource 1504418 VILAZODONE HYDROCHLORIDE 441.216 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 SGEGOXDYSFKCPT-UHFFFAOYSA-N 6918314 BRD-K58010567-003-04-9 vilazodone 0 90.8 Tocris 6202 Vilazodone hydrochloride 441.216 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 SGEGOXDYSFKCPT-UHFFFAOYSA-N 6918314 BRD-K58010567-003-01-4 vilazodone 0 86.87 Selleck S4259 Vilazodone HCl 441.216 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 SGEGOXDYSFKCPT-UHFFFAOYSA-N 6918314 BRD-K58010567-003-03-0 vilazodone 0 98.4 Selleck S4259 Vilazodone Hydrochloride 441.216 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 SGEGOXDYSFKCPT-UHFFFAOYSA-N 6918314 BRD-K00003565-001-01-9 vildagliptin 0 85.64 MedChemEx HY-14291 Vildagliptin 303.195 O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)NCC(=O)N1CCC[C@H]1C#N SYOKIDBDQMKNDQ-NHMCJKAESA-N BRD-A59198242-003-03-9 viloxazine 0 92.59 ChemDiv ZC03-0028 2-[(2-ethoxyphenoxy)methyl]morpholine 237.136 CCOc1ccccc1OC[C@H]1CNCCO1 |&1:11| YWPHCCPCQOJSGZ-LLVKDONJSA-N 12226596 BRD-A59198242-003-02-9 viloxazine 0 98.75 Prestwick Prestw-1361 Viloxazine hydrochloride 237.136 CCOc1ccccc1OC[C@H]1CNCCO1 |&1:11| YWPHCCPCQOJSGZ-LLVKDONJSA-N 12226596 BRD-K06519765-065-01-6 vinblastine 0 96.33 MedChemEx HY-13780 Vinblastine (sulfate) 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-K06519765-065-02-4 vinblastine 0 78.77 MedChemEx HY-13780 Vinblastine (sulfate) 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-K01188359-065-23-1 BRD-K06519765-001-03-7 vinblastine 0 3.33 MedChemEx HY-17418 Vinblastine 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-K01188359-001-03-8 BRD-K06519765-065-04-0 vinblastine 0 41.82 MicroSource 1500611 VINBLASTINE SULFATE 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-A55594068-065-04-9 BRD-K06519765-001-02-9 vinblastine 0 16.82 Selleck S1248 Vinblastine 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-K01188359-001-04-6|BRD-A39708826-001-01-0 BRD-K06519765-001-01-1 vinblastine 0 81.03 Selleck S1248 Vinblastine 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-A66484359-001-01-9 BRD-K06519765-065-03-2 vinblastine 0 68.04 Tocris 1256 Vinblastine sulfate 810.42 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| JXLYSJRDGCGARV-CFWMRBGOSA-N 13342 BRD-K12515392-065-01-7 BRD-K40227168-001-12-9 vinburnine 0 98.61 Enzo NP088 "Eburnamonine, (-)-" 294.173 CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c1ccccc41 WYJAPUKIYAZSEM-MOPGFXCFSA-N 71203 BRD-K40227168-001-13-9 vinburnine 0 89.33 MedChemEx HY-B1180 Vinburnine 294.173 CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c1ccccc41 WYJAPUKIYAZSEM-MOPGFXCFSA-N 71203 BRD-K40902647-001-10-9 vincamine 0 99.37 MedChemEx HY-B1021 Vincamine 354.194 CC[C@@]12CCCN3CCc4c([C@H]13)n(c1ccccc41)[C@](O)(C2)C(=O)OC RXPRRQLKFXBCSJ-GIVPXCGWSA-N 15376 BRD-K12251893-065-06-2 vincristine 0 52.52 MicroSource 1505672 VINCRISTINE SULFATE 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-A60414806-065-02-4 BRD-K12251893-065-01-3 vincristine 0 90.52 MedChemEx HY-N0488 Vincristine (sulfate) 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-K12251893-065-05-4 vincristine 0 61.6 Selleck S1241 Vincristine 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-K98953900-065-01-2 BRD-K12251893-065-02-1 vincristine 0 82.69 MedChemEx HY-N0488 Vincristine (sulfate) 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-K49229349-065-02-4 BRD-K12251893-065-04-7 vincristine 0 76.33 Tocris 1257 Vincristine sulfate 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-K49229349-065-01-6 BRD-K12251893-065-03-9 vincristine 0 77.22 Selleck S1241 Vincristine Sulfate 824.4 CC[C@]1(O)C[C@@H]2C[N@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49| OGWKCGZFUXNPDA-CFWMRBGOSA-N 5388993 BRD-A60578817-065-01-5 BRD-K59753975-001-02-6 vindesine 0 78.54 AvaChem 2181 "methyl (5S,7S,9S)-9-((3aR,3a1R,4R,5S,5aR,10bR)-5-carbamoyl-3a-ethyl-4,5-dihydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-5-ethyl-5-hydroxy-1,4,5,6,7,8,9;,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]" 753.41 CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](O)[C@]1(O)C(N)=O |c:48| HHJUWIANJFBDHT-KOTLKJBCSA-N 40839 BRD-K64120610-046-01-9 vinflunine 0 95.03 Selleck S2209 Vinflunine Tartrate 830.407 CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CCc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:3| NOSAJPUYIASWEH-USRBKURZSA-N 11967282 BRD-A52946717-045-01-7 BRD-K64120610-001-01-4 vinflunine 0 95.66 AvaChem 2180 "methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-9-((4R,6R,8S)-4-(1,1-difluoroethyl)-8-(methoxycarbonyl)-1,3,4,5,6,7,8,9-octahydro-2,6-methanoazecino[4,3-b]indol-8-yl)-3a-ethyl-5-hydroxy-8-methoxy-6-methyl-;3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]c" 830.407 CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CCc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:3| NOSAJPUYIASWEH-USRBKURZSA-N 11967282 BRD-K10549975-001-01-8 BRD-K04269837-346-01-8 vinorelbine 0 24.99 MedChemEx HY-12053A Vinorelbine (ditartrate) 778.394 "CCC1=C[C@@H]2C[N@](C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:46,t:2|" GBABOYUKABKIAF-IELIFDKJSA-N 5311497 BRD-K04269837-346-03-9 vinorelbine 0 27.23 MedChemEx HY-12053A 778.394 "CCC1=C[C@@H]2C[N@](C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:46,t:2|" GBABOYUKABKIAF-IELIFDKJSA-N 5311497 BRD-K53318339-001-24-9 vinpocetine 0 98.68 MicroSource 1503115 VINPOCETINE 350.199 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| DDNCQMVWWZOMLN-IRLDBZIGSA-N 443955 BRD-K53318339-001-27-9 vinpocetine 0 95.34 Tocris 757 Vinpocetine 350.199 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| DDNCQMVWWZOMLN-IRLDBZIGSA-N 443955 BRD-K53318339-001-23-1 vinpocetine 0 98.62 Tocris 757 Vinpocetine 350.199 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| DDNCQMVWWZOMLN-IRLDBZIGSA-N 443955 BRD-K53318339-001-26-4 vinpocetine 0 91.18 Selleck S2110 Vinpocetine (Cavinton) 350.199 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| DDNCQMVWWZOMLN-IRLDBZIGSA-N 443955 BRD-K25429851-001-01-5 BRD-A42379279-065-03-8 viomycin 0 39.8 Prestwick Prestw-1113 Viomycin sulfate 685.326 "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C=NC(N)=O)[C@H]1C[C@H](O)N=C(N)N1 |a:4,10,15,23,29,42,&1:40,&2:35,w:35.35,t:45|" NSWGELWYFNCPHU-RWOORDGESA-N BRD-K56565215-001-01-9 vipadenant 0 94.33 MedChemEx HY-10857 Vipadenant 321.134 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N HQSBCDPYXDGTCL-UHFFFAOYSA-N 21874557 BRD-K44827188-001-06-0 vismodegib 0 98.12 Selleck S1082 Vismodegib (GDC-0449) 420.01 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 BPQMGSKTAYIVFO-UHFFFAOYSA-N 24776445 BRD-K44827188-001-04-5 vismodegib 0 97.05 Broad Institute 420.01 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 "InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)" 24776445 BRD-K00003375-004-01-9 visomitin 0 71.8 MedChemEx HY-100474 Visomitin 537.292 "CC1=C(C)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CC1=O |c:1,38|" ZFUDULLGKXSPPH-UHFFFAOYSA-N 16679092 BRD-K00003629-001-01-9 vitamin-B12 0 95.98 MedChemEx HY-B0315 Vitamin B12 1355.575 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP(O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |c:16,20,24,t:22,26,29|" RMRCNWBMXRMIRW-WZHZPDAFSA-M BRD-K97091514-001-11-4 vitamin-E 0 0 CombiBlocks QE-9484 "(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" 430.381 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 GVJHHUAWPYXKBD-IEOSBIPESA-N 14985 BRD-K00003141-003-01-9 vixotrigine 0 86.82 MedChemEx HY-12796A Raxatrigine hydrochloride 314.143 NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 JESCETIFNOFKEU-SJORKVTESA-N 16046068 BRD-K00005338-001-01-9 VL285 0 95.21 MedChemEx HY-111663 VL285 532.214 CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C HEDFFPYRFJKXQP-VJTSUQJLSA-N 71667162 BRD-K00003343-001-01-9 VLX1570 0 93.32 MedChemEx HY-12471 VLX1570 469.109 [O-][N+](=O)c1cc(\C=C2/CCN(C\C(=C/c3ccc(F)c(c3)[N+]([O-])=O)C2=O)C(=O)C=C)ccc1F SCKXBVLYWLLALY-CZCYGEDCSA-N 71523377 BRD-K26122255-001-01-7 VLX600 0 87.51 Enamine EN300-395210 "(1Z)-1-(2-pyridinyl)ethanone (6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone" 317.139 CC(=NNc1nnc2c(n1)[nH]c1c(C)cccc21)c1ccccn1 UQOSBPRTQFFUOA-UHFFFAOYSA-N 6806409 BRD-K26122255-001-02-9 VLX600 0 86.93 ChemDiv 1927-8053 317.139 C\C(=N\Nc1nnc2c(n1)[nH]c1c(C)cccc21)c1ccccn1 UQOSBPRTQFFUOA-NHDPSOOVSA-N 6413301 BRD-K89053832-001-01-0 VLX600 0 ChemDiv 1927-8053 317.139 C\C(=N\Nc1nnc2c(n1)[nH]c1c(C)cccc21)c1ccccn1 "InChI=1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11-" 6413301 BRD-K00003472-001-01-9 voclosporin 0 92.03 MedChemEx HY-106638 Voclosporin 1213.841 [H][C@@]1(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C BICRTLVBTLFLRD-PTWUADNWSA-N 6918486 BRD-K66850609-001-06-6 voglibose 0 86.6 Tocris 3596 Voglibose 267.132 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O FZNCGRZWXLXZSZ-CIQUZCHMSA-N 444020 BRD-K66850609-001-05-8 voglibose 0 100 Tocris 3596 Voglibose 267.132 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O FZNCGRZWXLXZSZ-CIQUZCHMSA-N 444020 BRD-K66850609-001-07-4 voglibose 0 100 Selleck S4101 Voglibose 267.132 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O FZNCGRZWXLXZSZ-CIQUZCHMSA-N 444020 BRD-K59331299-001-01-2 BRD-K69776681-001-06-1 volasertib 0 94.7 MedChemEx HY-12137 Volasertib 618.401 CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O SXNJFOWDRLKDSF-STROYTFGSA-N BRD-K69776681-001-03-8 volasertib 0 95.76 Selleck S2235 Volasertib (BI 6727) 618.401 CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O SXNJFOWDRLKDSF-STROYTFGSA-N BRD-K69776681-001-07-9 volasertib 0 Focus 1066053 Volasertib 618.401 CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O "InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1" BRD-K23647661-001-03-0 volinanserin 0 90.77 Tocris 4173 MDL 100907 373.205 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC HXTGXYRHXAGCFP-OAQYLSRUSA-N 5311271 BRD-K23647661-001-02-2 volinanserin 0 98.59 Cayman 15936 373.205 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC HXTGXYRHXAGCFP-OAQYLSRUSA-N 5311271 BRD-K32768103-001-04-9 vonoprazan 0 88.47 MedChemEx HY-100007 Vonoprazan 345.095 CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 BFDBKMOZYNOTPK-UHFFFAOYSA-N 15981397 BRD-K32768103-051-02-6 vonoprazan 0 84.24 Selleck S8016 TAK-438 345.095 CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 BFDBKMOZYNOTPK-UHFFFAOYSA-N 15981397 BRD-K32768103-051-03-4 vonoprazan 0 88.52 Selleck S8016 Vonoprazan Fumarate (TAK-438) 345.095 CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 BFDBKMOZYNOTPK-UHFFFAOYSA-N 15981397 BRD-K93442924-001-03-4 vorapaxar 0 98.32 Adooq A12832 "ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate" 492.242 CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 ZBGXUVOIWDMMJE-QHNZEKIYSA-N 10077130 BRD-K00003460-001-01-9 vorasidenib 0 97.5 MedChemEx HY-104042 Vorasidenib 414.079 C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F QCZAWDGAVJMPTA-RNFRBKRXSA-N 117817422 BRD-K23677682-003-01-2 voreloxin 0 93.26 MedChemEx HY-16518 Voreloxin (Hydrochloride) 401.116 CN[C@H]1CN(C[C@@H]1OC)c1ccc2c(n1)n(cc(C(O)=O)c2=O)-c1nccs1 XZAFZXJXZHRNAQ-STQMWFEESA-N 9952884 BRD-K23677682-003-04-9 voreloxin 0 97.57 MedChemEx HY-16518 Voreloxin (Hydrochloride) 401.116 CN[C@H]1CN(C[C@@H]1OC)c1ccc2c(n1)n(cc(C(O)=O)c2=O)-c1nccs1 XZAFZXJXZHRNAQ-STQMWFEESA-N 9952884 BRD-K06557128-001-07-0 voriconazole 0 99.42 MicroSource 1502346 VORICONAZOLE 349.115 C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F BCEHBSKCWLPMDN-MGPLVRAMSA-N 71616 BRD-K06557128-001-08-8 voriconazole 0 80 Selleck S1442 Voriconazole 349.115 C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F BCEHBSKCWLPMDN-MGPLVRAMSA-N 71616 BRD-K06557128-001-10-9 voriconazole 0 90.51 Tocris 3760 Voriconazole 349.115 C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F BCEHBSKCWLPMDN-MGPLVRAMSA-N 71616 BRD-K06557128-001-06-2 voriconazole 0 88.29 Selleck S1442 Voriconazole 349.115 C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F BCEHBSKCWLPMDN-MGPLVRAMSA-N 71616 BRD-K81418486-001-66-9 vorinostat 0 86.94 Tocris 4652 SAHA 264.147 ONC(=O)CCCCCCC(=O)Nc1ccccc1 WAEXFXRVDQXREF-UHFFFAOYSA-N 5311 BRD-K81418486-001-51-7 vorinostat 0 74.04 Tocris 4652 SAHA 264.147 ONC(=O)CCCCCCC(=O)Nc1ccccc1 WAEXFXRVDQXREF-UHFFFAOYSA-N 5311 BRD-K81418486-001-47-5 vorinostat 0 99.7 Selleck S1047 Vorinostat (SAHA) 264.147 ONC(=O)CCCCCCC(=O)Nc1ccccc1 WAEXFXRVDQXREF-UHFFFAOYSA-N 5311 BRD-K81418486-001-44-2 vorinostat 0 90.8 Selleck S1047 "Vorinostat (SAHA, MK0683)" 264.147 ONC(=O)CCCCCCC(=O)Nc1ccccc1 WAEXFXRVDQXREF-UHFFFAOYSA-N 5311 BRD-K53963539-001-01-8 vortioxetine 0 86.75 MicroSource 1506319 VORTIOXETINE 298.15 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 YQNWZWMKLDQSAC-UHFFFAOYSA-N 9966051 BRD-K53963539-004-02-0 vortioxetine 0 95.12 Selleck S8021 Vortioxetine (Lu AA21004) HBr 298.15 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 YQNWZWMKLDQSAC-UHFFFAOYSA-N 9966051 BRD-K53963539-001-03-9 vortioxetine 0 91.15 MedChemEx HY-15414 Vortioxetine 298.15 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 YQNWZWMKLDQSAC-UHFFFAOYSA-N 9966051 BRD-K00004725-001-01-9 voruciclib 0 97.7 Astatech 40984 VORUCICLIB 469.09 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F MRPGRAKIAJJGMM-OCCSQVGLSA-N 67409219 BRD-K43639297-001-01-9 voxelotor 0 96.07 MedChemEx HY-18681 Hemoglobin Modulators-1 337.143 CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O FWCVZAQENIZVMY-UHFFFAOYSA-N 71602803 BRD-K56291712-001-01-0 voxtalisib 0 99.19 MedChemEx HY-15900 SAR245409 270.123 CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O RGHYDLZMTYDBDT-UHFFFAOYSA-N 16123056 BRD-K56291712-001-02-9 voxtalisib 0 92.69 MedChemEx HY-15900 Voxtalisib 270.123 CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O RGHYDLZMTYDBDT-UHFFFAOYSA-N 16123056 BRD-K21071223-001-02-8 VP-20629 0 99.13 ChemDiv 5830-0516 189.079 OC(=O)CCc1c[nH]c2ccccc12 GOLXRNDWAUTYKT-UHFFFAOYSA-N 3744 BRD-K09877029-001-01-2 VS-4718 0 98.41 MedChemEx HY-13917 PND-1186 501.199 CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1C(F)(F)F IGUBBWJDMLCRIK-UHFFFAOYSA-N 25073775 BRD-K09877029-001-02-9 VS-4718 0 98.38 MedChemEx HY-13917 PND-1186 501.199 CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1C(F)(F)F IGUBBWJDMLCRIK-UHFFFAOYSA-N 25073775 BRD-K72005722-001-01-2 VT-464 0 98.44 MedChemEx HY-15996 VT-464 399.121 CC(C)[C@@](O)(c1cn[nH]n1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 ZBRAJOQFSNYJMF-SFHVURJKSA-N 78357816 BRD-K72005722-001-02-9 VT-464 0 95.05 MedChemEx HY-15996 Seviteronel 399.121 CC(C)[C@@](O)(c1cn[nH]n1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 ZBRAJOQFSNYJMF-SFHVURJKSA-N 78357816 BRD-K81694556-003-02-9 VTP-27999 0 89.62 MedChemEx HY-76652 VTP-27999 (Hydrochloride) 524.277 CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 NXWASIVXQMMPLM-ZXMXYHOLSA-N 16126898 BRD-K81694556-003-01-9 VTP-27999 0 92.33 MedChemEx HY-76652 VTP-27999 (Hydrochloride) 524.277 CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 NXWASIVXQMMPLM-ZXMXYHOLSA-N 16126898 BRD-K48535733-003-02-0 VU0155069 0 97.24 Tocris 3575 VU 0155069 462.182 C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 DRIMIUYGTDAQOX-KRWDZBQOSA-N 25105713 BRD-K48535733-003-01-2 VU0155069 0 97.48 Tocris 3575 VU 0155069 462.182 C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 DRIMIUYGTDAQOX-KRWDZBQOSA-N 25105713 BRD-K48535733-003-03-9 VU0155069 0 96.98 Tocris 3575 VU 0155069 462.182 C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 DRIMIUYGTDAQOX-KRWDZBQOSA-N 25105713 BRD-K24187789-001-02-5 VU0238429 0 95.11 Tocris 3634 VU 0238429 351.072 COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1 CKLGZXFOLMHCMC-UHFFFAOYSA-N 42633508 BRD-K24187789-001-01-7 VU0238429 0 94.95 Tocris 3634 VU 0238429 351.072 COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1 CKLGZXFOLMHCMC-UHFFFAOYSA-N 42633508 BRD-K24187789-001-03-9 VU0238429 0 94.63 Tocris 3634 VU 0238429 351.072 COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1 CKLGZXFOLMHCMC-UHFFFAOYSA-N 42633508 BRD-K27074404-001-08-4 VU0240551 0 97.16 MedChemEx HY-16689 VU 0240551 342.061 Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1 WJRWSLORVIHRNX-UHFFFAOYSA-N 7211972 BRD-K86109159-001-03-9 VU0357121 0 93.83 Tocris 4437 VU 0357121 305.123 CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F AHCYOTLTLQTPSU-UHFFFAOYSA-N 2296132 BRD-K86109159-001-02-6 VU0357121 0 97.46 Selleck S2795 VU 0357121 305.123 CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F AHCYOTLTLQTPSU-UHFFFAOYSA-N 2296132 BRD-K83649660-003-03-0 VU0360172 0 77.87 Tocris 4323 VU 0360172 hydrochloride 294.117 Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 NEMHWVUKNWAKTM-UHFFFAOYSA-N 53318624 BRD-K83649660-003-04-9 VU0360172 0 94.7 Tocris 4323 VU 0360172 hydrochloride 294.117 Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 NEMHWVUKNWAKTM-UHFFFAOYSA-N 53318624 BRD-K45462423-001-04-5 VU0361737 0 96.69 Tocris 3707 VU 0361737 262.051 COc1cc(NC(=O)c2ccccn2)ccc1Cl ARYUXFNGXHNNDM-UHFFFAOYSA-N 44191096 BRD-K45462423-001-03-7 VU0361737 0 98.82 Tocris 3707 VU 0361737 262.051 COc1cc(NC(=O)c2ccccn2)ccc1Cl ARYUXFNGXHNNDM-UHFFFAOYSA-N 44191096 BRD-K45462423-001-05-9 VU0361737 0 95.65 Tocris 3707 VU 0361737 262.051 COc1cc(NC(=O)c2ccccn2)ccc1Cl ARYUXFNGXHNNDM-UHFFFAOYSA-N 44191096 BRD-K45462423-001-02-9 VU0361737 0 97.81 Selleck S2892 VU 0361737 262.051 COc1cc(NC(=O)c2ccccn2)ccc1Cl ARYUXFNGXHNNDM-UHFFFAOYSA-N 44191096 BRD-K72687424-001-04-9 VU0364439 0 98.19 Tocris 4371 VU 0364439 421.005 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl IXHCGJXBIHHIEF-UHFFFAOYSA-N 46934289 BRD-K72687424-001-03-4 VU0364439 0 96.29 Tocris 4371 VU 0364439 421.005 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl IXHCGJXBIHHIEF-UHFFFAOYSA-N 46934289 BRD-K72687424-001-02-6 VU0364439 0 95.49 Selleck S8035 VU 0364439 421.005 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl IXHCGJXBIHHIEF-UHFFFAOYSA-N 46934289 BRD-K93317811-003-02-2 VU0364739 0 95.98 Tocris 4171 VU 0364739 hydrochloride 446.212 Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 MSTXJJGAXXJCBY-UHFFFAOYSA-N 46937439 BRD-K93317811-003-04-9 VU0364739 0 95.43 Tocris 4171 VU 0364739 hydrochloride 446.212 Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 MSTXJJGAXXJCBY-UHFFFAOYSA-N 46937439 BRD-K66527818-001-03-9 VU0364770 0 92.79 Tocris 4469 VU 0364770 232.04 Clc1cccc(NC(=O)c2ccccn2)c1 SUYUTNCKIOLMAJ-UHFFFAOYSA-N 836002 BRD-K66527818-001-02-6 VU0364770 0 96.96 Selleck S2862 VU 0364770 232.04 Clc1cccc(NC(=O)c2ccccn2)c1 SUYUTNCKIOLMAJ-UHFFFAOYSA-N 836002 BRD-K68674163-001-01-7 VU0422288 0 96.47 Tocris 5378 VU 0422288 359.023 Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1 MZRLPXFGQKQHST-UHFFFAOYSA-N 73058507 BRD-K68674163-001-02-9 VU0422288 0 97.98 Tocris 5378 VU 0422288 359.023 Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1 MZRLPXFGQKQHST-UHFFFAOYSA-N 73058507 BRD-K12483104-001-01-2 VU10010 0 94.64 Tocris 3141 VU 10010 345.07 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1 FPRULFHDSFKYBV-UHFFFAOYSA-N 714286 BRD-K12483104-001-02-9 VU10010 0 95.73 Tocris 3141 VU 10010 345.07 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1 FPRULFHDSFKYBV-UHFFFAOYSA-N 714286 BRD-K87727457-001-01-5 VU152100 0 93.58 Tocris 3383 VU 152100 341.12 COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 MDNWGCQSCGNTKH-UHFFFAOYSA-N 864492 BRD-K87727457-001-02-9 VU152100 0 95.97 Tocris 3383 VU 152100 341.12 COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 MDNWGCQSCGNTKH-UHFFFAOYSA-N 864492 BRD-K48371964-001-06-5 VU1545 0 96.37 Tocris 3325 VU 1545 402.113 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1 BRAZLURTFMCAHU-UHFFFAOYSA-N 11625520 BRD-K48371964-001-07-9 VU1545 0 95.44 Tocris 3325 VU 1545 402.113 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1 BRAZLURTFMCAHU-UHFFFAOYSA-N 11625520 BRD-K54783522-001-02-9 VU29 0 97.54 Tocris 4458 VU 29 384.122 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 KIALCSMRIHRFPL-UHFFFAOYSA-N 11610682 BRD-K54783522-001-01-8 VU29 0 98.04 Tocris 4458 VU 29 384.122 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 KIALCSMRIHRFPL-UHFFFAOYSA-N 11610682 BRD-K72063794-003-01-0 VU591 0 87.5 Tocris 4197 VU 591 hydrochloride 368.087 [O-][N+](=O)c1ccc2nc(COCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1 ZQPXNYLXYNRFNP-UHFFFAOYSA-N 44123657 BRD-K72063794-003-02-9 VU591 0 96.72 Tocris 4197 VU 591 hydrochloride 368.087 [O-][N+](=O)c1ccc2nc(COCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1 ZQPXNYLXYNRFNP-UHFFFAOYSA-N 44123657 BRD-K11046126-001-03-9 VUF10166 0 97.1 Tocris 4532 VUF 10166 262.099 CN1CCN(CC1)c1nc2ccccc2nc1Cl FFXVTQDGTKEXHF-UHFFFAOYSA-N 24278976 BRD-K11046126-001-02-0 VUF10166 0 94.56 Selleck S2865 VUF 10166 262.099 CN1CCN(CC1)c1nc2ccccc2nc1Cl FFXVTQDGTKEXHF-UHFFFAOYSA-N 24278976 BRD-K90082312-001-02-9 VUF10460 0 94.6 Tocris 4769 VUF 10460 269.164 CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1 NIJGWJIOMPHDBP-UHFFFAOYSA-N 25129523 BRD-K90082312-001-01-5 VUF10460 0 96.93 Tocris 4769 VUF 10460 269.164 CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1 NIJGWJIOMPHDBP-UHFFFAOYSA-N 25129523 BRD-A93717708-051-02-9 VUF11207 0 97.54 Tocris 4780 VUF 11207 fumarate 470.258 COc1cc(cc(OC)c1OC)C(=O)N(CC[C@H]1CCCN1C)C\C(C)=C\c1ccccc1F |&1:17| JVRRRKAXHMGUHZ-JIKIWWBOSA-N 97018453 BRD-A93717708-051-01-2 VUF11207 0 97.09 Tocris 4780 VUF 11207 fumarate 470.258 COc1cc(cc(OC)c1OC)C(=O)N(CC[C@H]1CCCN1C)C\C(C)=C\c1ccccc1F |&1:17| JVRRRKAXHMGUHZ-JIKIWWBOSA-N 97018453 BRD-K93725829-001-03-8 VX-11e 0 97.32 MedChemEx HY-14178 VX-11e 499.098 Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 WUTVMXLIGHTZJC-OAQYLSRUSA-N 11634725 BRD-K70610771-001-03-9 VX-222 0 96.13 MedChemEx HY-75800 VX-222 445.229 C[C@H]1CC[C@@H](CC1)C(=O)N([C@@H]1CC[C@H](O)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r| WPMJNLCLKAKMLA-UGLKCIBTSA-N BRD-K70610771-001-02-9 VX-222 0 97.92 Selleck S1480 "VX-222 (VCH-222, Lomibuvir)" 445.229 C[C@H]1CC[C@@H](CC1)C(=O)N([C@@H]1CC[C@H](O)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r| WPMJNLCLKAKMLA-UGLKCIBTSA-N BRD-K07736136-001-04-6 VX-702 0 93.86 Selleck S6005 VX-702 404.09 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F FYSRKRZDBHOFAY-UHFFFAOYSA-N 10341154 BRD-K07736136-001-05-9 VX-702 0 93.37 Tocris 3916 VX 702 404.09 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F FYSRKRZDBHOFAY-UHFFFAOYSA-N 10341154 BRD-K07736136-001-03-8 VX-702 0 60.41 Selleck S6005 VX-702 404.09 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F FYSRKRZDBHOFAY-UHFFFAOYSA-N 10341154 BRD-K91900765-001-08-4 VX-745 0 64.75 MedChemEx HY-10328 VX-745 434.981 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 VEPKQEUBKLEPRA-UHFFFAOYSA-N 3038525 BRD-K91900765-001-07-6 VX-745 0 78.69 MedChemEx HY-10328 VX-745 434.981 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 VEPKQEUBKLEPRA-UHFFFAOYSA-N 3038525 BRD-K91900765-001-05-0 VX-745 0 67.26 Selleck S1458 VX-745 434.981 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 VEPKQEUBKLEPRA-UHFFFAOYSA-N 3038525 BRD-K91900765-001-06-8 VX-745 0 64.96 Selleck S1458 VX-745 434.981 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 VEPKQEUBKLEPRA-UHFFFAOYSA-N 3038525 BRD-K78430341-001-02-5 VX-765 0 97.92 Selleck S2228 VX-765 508.209 CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C SJDDOCKBXFJEJB-MOKWFATOSA-N 11398092 BRD-A00559310-003-02-9 W-54011 0 88.69 Tocris 5455 W 54011 456.278 COc1ccc2CCC[C@@H](C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1 |&1:9| DVYASSBBADJRAS-MUUNZHRXSA-N 59597209 BRD-A00559310-003-01-1 W-54011 0 89.3 MedChemEx HY-16992A W-54011 456.278 COc1ccc2CCC[C@@H](C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1 |&1:9| DVYASSBBADJRAS-MUUNZHRXSA-N 59597209 BRD-K01129913-001-01-5 walrycin-B 0 88.74 MedChemEx HY-18219 Walrycin B 337.079 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F XRVMPTWWKLKLPB-UHFFFAOYSA-N 3164070 BRD-K25991148-001-02-9 warfarin 0 98.92 MedChemEx HY-B0687 Warfarin 308.105 CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |&1:4| PJVWKTKQMONHTI-HNNXBMFYSA-N 54688261 BRD-K69812556-050-11-9 WAY-100635 0 97.88 MedChemEx HY-10349A WAY-100635 Maleate 422.268 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 SBPRIAGPYFYCRT-UHFFFAOYSA-N 5684 BRD-K69812556-305-02-0 WAY-100635 0 95.59 Selleck S2663 WAY-100635 Maleate 422.268 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 SBPRIAGPYFYCRT-UHFFFAOYSA-N 5684 BRD-A62021152-003-04-2 WAY-161503 0 94.85 Tocris 1801 "8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one hydrochloride" 271.028 Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl |&1:7| PHGWDAICBXUJDU-SNVBAGLBSA-N 6604916 BRD-A62021152-003-03-4 WAY-161503 0 78.8 Tocris 1801 WAY 161503 hydrochloride 271.028 Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl |&1:7| PHGWDAICBXUJDU-SNVBAGLBSA-N 6604916 BRD-K36198571-001-03-8 WAY-170523 0 97.03 Tocris 2633 WAY 170523 613.188 Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(c1)C(=O)NO FARMEEAGJWMFSZ-UHFFFAOYSA-N 9830392 BRD-K36198571-001-02-0 WAY-170523 0 96.24 Tocris 2633 WAY 170523 613.188 Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(c1)C(=O)NO FARMEEAGJWMFSZ-UHFFFAOYSA-N 9830392 BRD-K36198571-001-04-9 WAY-170523 0 93.94 Tocris 2633 WAY 170523 613.188 Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(c1)C(=O)NO FARMEEAGJWMFSZ-UHFFFAOYSA-N 9830392 BRD-K08223200-001-02-9 WAY-200070 0 93.36 Tocris 3366 WAY 200070 304.969 Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1 BAAILVWEAXFTSF-UHFFFAOYSA-N 135418373 BRD-K08223200-001-01-1 WAY-200070 0 93.82 Tocris 3366 WAY 200070 304.969 Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1 BAAILVWEAXFTSF-UHFFFAOYSA-N 135418373 BRD-K08223200-001-03-9 WAY-200070 0 96.79 Tocris 3366 WAY 200070 304.969 Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1 BAAILVWEAXFTSF-UHFFFAOYSA-N 135418373 BRD-K08657056-300-01-1 WAY-207024 0 95.82 Tocris 3890 WAY 207024 dihydrochloride 476.269 CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 AVEVJMZJJJDOCI-UHFFFAOYSA-N 11496610 BRD-K08657056-300-02-9 WAY-207024 0 98.01 Tocris 3890 WAY 207024 dihydrochloride 476.269 CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 AVEVJMZJJJDOCI-UHFFFAOYSA-N 11496610 BRD-K63483542-300-01-6 WAY-208466 0 96.89 Tocris 3904 WAY 208466 dihydrochloride 347.11 CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 SFSFIDVAEMDPIP-UHFFFAOYSA-N 10337743 BRD-K63483542-300-02-9 WAY-208466 0 97.67 Tocris 3904 WAY 208466 dihydrochloride 347.11 CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 SFSFIDVAEMDPIP-UHFFFAOYSA-N 10337743 BRD-K96758128-001-02-6 WAY-213613 0 92.48 Tocris 2652 WAY 213613 414.003 N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O BNYDDAAZMBUFRG-ZDUSSCGKSA-N 11531745 BRD-K96758128-001-01-8 WAY-213613 0 97.19 Tocris 2652 WAY 213613 414.003 N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O BNYDDAAZMBUFRG-ZDUSSCGKSA-N 11531745 BRD-K96758128-001-03-9 WAY-213613 0 96.14 Tocris 2652 WAY 213613 414.003 N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O BNYDDAAZMBUFRG-ZDUSSCGKSA-N 11531745 BRD-K00004556-001-01-9 WAY-255348 0 92.87 Sigma MFCD18782604 "5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile" 283.112 Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N KIOOLNRTWPFVHX-UHFFFAOYSA-N 11543746 BRD-K61871885-001-01-3 WAY-316606 0 93 MedChemEx HY-10858 WAY 316606 448.074 FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCNCC1)S(=O)(=O)c1ccccc1 ITBGJNVZJBVPLJ-UHFFFAOYSA-N 16727102 BRD-K61871885-003-01-9 WAY-316606 0 94.21 Tocris 4767 WAY 316606 hydrochloride 448.074 FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCNCC1)S(=O)(=O)c1ccccc1 ITBGJNVZJBVPLJ-UHFFFAOYSA-N 16727102 BRD-K54640016-001-05-9 WAY-362450 0 94.08 MedChemEx HY-50911 Turofexorate isopropyl 438.175 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:6| INASOKQDNHHMRE-UHFFFAOYSA-N 10026128 BRD-K54640016-001-04-7 WAY-362450 0 91.54 Selleck S2694 XL335 438.175 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:6| INASOKQDNHHMRE-UHFFFAOYSA-N 10026128 BRD-K85920262-001-02-1 WAY-600 0 93.96 Selleck S2689 WAY-600 494.254 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1 FPEIJQLXFHKLJV-UHFFFAOYSA-N 25229526 BRD-K85920262-001-04-9 WAY-600 0 82.6 MedChemEx HY-15272 WAY-600 494.254 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1 FPEIJQLXFHKLJV-UHFFFAOYSA-N 25229526 BRD-K55430733-003-02-4 WAY-629 0 66.92 Tocris 2173 WAY 629 hydrochloride 226.147 C1CCc2c(C1)n1CCNCc3cccc2c13 OIGHTPDWPMLMGT-UHFFFAOYSA-N 6604933 BRD-K55430733-003-03-9 WAY-629 0 81.9 Tocris 2173 WAY 629 hydrochloride 226.147 C1CCc2c(C1)n1CCNCc3cccc2c13 OIGHTPDWPMLMGT-UHFFFAOYSA-N 6604933 BRD-A01493904-003-13-9 WB-4101 0 94.03 Tocris 946 WB 4101 hydrochloride 345.158 COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |&1:15| GYSZUJHYXCZAKI-AWEZNQCLSA-N 13305910 BRD-A01493904-003-12-1 WB-4101 0 96.8 Tocris 946 WB 4101 hydrochloride 345.158 COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |&1:15| GYSZUJHYXCZAKI-AWEZNQCLSA-N 13305910 BRD-K47726410-001-01-2 WDR5-0103 0 97.86 Tocris 5323 WDR5 0103 383.185 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1 ZPLBXOVTSNRBFB-UHFFFAOYSA-N 6457069 BRD-K47726410-001-02-0 WDR5-0103 0 99.17 Vitas-M STK892274 WDR5 0103 383.185 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1 ZPLBXOVTSNRBFB-UHFFFAOYSA-N 6457069 BRD-K55487946-001-01-3 WEHI-345-analog 0 95.92 MedChemEx HY-100112 WEHI-345 (analog) 415.212 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)CNC(=O)c1ncccc1C ZCZGSEXBXXYQQC-UHFFFAOYSA-N 56602558 BRD-K50199947-001-03-4 WH-4-023 0 81.92 Tocris 5413 WH-4-023 568.28 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1 NBTNHSGBRGTFJS-UHFFFAOYSA-N 11844351 BRD-K50199947-001-07-9 WH-4-023 0 97.53 Tocris 5413 WH-4-023 568.28 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1 NBTNHSGBRGTFJS-UHFFFAOYSA-N 11844351 BRD-K07487750-001-05-8 WHI-P154 0 86.53 Tocris 3115 WHI-P 154 375.022 COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC CBIAKDAYHRWZCU-UHFFFAOYSA-N 3795 BRD-K07487750-001-03-3 WHI-P154 0 84.23 Selleck S2867 WHI-P154 375.022 COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC CBIAKDAYHRWZCU-UHFFFAOYSA-N 3795 BRD-K07487750-001-04-1 WHI-P154 0 90.22 Selleck S2867 WHI-P154 375.022 COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC CBIAKDAYHRWZCU-UHFFFAOYSA-N 3795 BRD-K07487750-001-06-9 WHI-P154 0 87.47 Tocris 3115 WHI-P 154 375.022 COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC CBIAKDAYHRWZCU-UHFFFAOYSA-N 3795 BRD-K19316653-001-02-0 WIKI4 0 98.16 MedChemEx HY-16910 WIKI4 521.152 COc1ccc(cc1)-n1c(SCCCN2C(=O)c3cccc4cccc(C2=O)c34)nnc1-c1ccncc1 RNUXIZKXJOGYQP-UHFFFAOYSA-N 2984337 BRD-K30930903-001-01-3 WIN-18446 0 97.79 DuPont A001467449 "2,2-dichloro-N-{8-[(dichloroacetyl)amino]octyl}acetamide" 364.028 ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl FAOMZVDZARKPFJ-UHFFFAOYSA-N 15134 BRD-K22662557-300-02-5 WIN-64338 0 93.6 Tocris 1057 WIN 64338 hydrochloride 711.513 CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N\C(NC2CCCCC2)=N\C2CCCCC2)cc1 UKMJWGFHXMGRNG-QLKFWGTOSA-O 132928 BRD-K22662557-300-03-9 WIN-64338 0 95.15 Tocris 1057 WIN 64338 hydrochloride 711.513 CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N\C(NC2CCCCC2)=N\C2CCCCC2)cc1 UKMJWGFHXMGRNG-QLKFWGTOSA-O 132928 BRD-K22662557-300-01-7 WIN-64338 0 95.81 Tocris 1057 WIN 64338 hydrochloride 711.513 CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N\C(NC2CCCCC2)=N\C2CCCCC2)cc1 UKMJWGFHXMGRNG-QLKFWGTOSA-O 132928 BRD-A18579359-001-05-9 wiskostatin 0 95.1 Tocris 4434 Wiskostatin 423.979 "CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 |&1:4,r|" XUBJEDZHBUPBKL-CYBMUJFWSA-N 981326 BRD-A18579359-001-04-9 wiskostatin 0 91.47 Tocris 4434 Wiskostatin 423.979 "CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 |&1:4,r|" XUBJEDZHBUPBKL-CYBMUJFWSA-N 981326 BRD-K78455053-001-03-9 wnt-c59 0 97.36 Tocris 5148 Wnt-C59 379.168 Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 KHZOJCQBHJUJFY-UHFFFAOYSA-N 57519544 BRD-K78455053-001-02-0 wnt-c59 0 97.95 Tocris 5148 Wnt-C59 379.168 Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 KHZOJCQBHJUJFY-UHFFFAOYSA-N 57519544 BRD-K78455053-001-01-2 wnt-c59 0 98.11 Selleck S7037 Wnt-C59 (C59) 379.168 Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 KHZOJCQBHJUJFY-UHFFFAOYSA-N 57519544 BRD-K87343924-001-16-9 wortmannin 0 93.41 MedChemEx HY-10197 Wortmannin 428.147 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |t:16| QDLHCMPXEPAAMD-QAIWCSMKSA-N 312145 BRD-K87343924-001-12-3 wortmannin 0 43.25 Selleck S2758 Wortmannin 428.147 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |t:16| QDLHCMPXEPAAMD-QAIWCSMKSA-N 312145 BRD-K87343924-001-15-6 wortmannin 0 56.11 Selleck S2758 Wortmannin 428.147 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |t:16| QDLHCMPXEPAAMD-QAIWCSMKSA-N 312145 BRD-K62662086-001-01-2|BRD-A75409952-001-12-3 BRD-K05445342-001-05-3 WP1066 0 87.63 Selleck S2796 WP1066 355.032 C[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 VFUAJMPDXIRPKO-LQELWAHVSA-N 11210478 BRD-K05445342-001-02-0 WP1066 0 65.16 Selleck S2796 WP1066 355.032 C[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 VFUAJMPDXIRPKO-LQELWAHVSA-N 11210478 BRD-K05445342-001-06-9 WP1066 0 90.12 MedChemEx HY-15312 WP1066 355.032 C[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 VFUAJMPDXIRPKO-LQELWAHVSA-N 11210478 BRD-K43644456-001-03-2 WP1130 0 70.22 Selleck S2243 Degrasyn (WP1130) 383.063 CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 LIDOPKHSVQTSJY-VMEIHUARSA-N 11222830 BRD-K43644456-001-04-0 WP1130 0 88.88 Selleck S2243 WP1130 383.063 CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 LIDOPKHSVQTSJY-VMEIHUARSA-N 11222830 BRD-K00005248-001-01-9 WP921 0 93.05 Enamine Z2301535497 WP 921 210.021 OC(=O)Cn1nnnc1-c1ccsc1 DDVAZOPRCKAYOV-UHFFFAOYSA-N 3035658 BRD-K45973863-001-01-4 WR99210 0 98.92 Sigma MFCD01679034 "6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine" 393.053 "CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|" MJZJYWCQPMNPRM-UHFFFAOYSA-N 121750 BRD-K49389158-001-02-9 WWL-113 0 98.37 Tocris 5259 WWL 113 466.189 CCOC(=O)c1ccc(cc1)-c1ccc(OC(=O)N(C)Cc2cccc(c2)-c2ccncc2)cc1 AKIIPHDGVCFVCC-UHFFFAOYSA-N 17759482 BRD-K49389158-001-01-3 WWL-113 0 97.33 Tocris 5259 WWL 113 466.189 CCOC(=O)c1ccc(cc1)-c1ccc(OC(=O)N(C)Cc2cccc(c2)-c2ccncc2)cc1 AKIIPHDGVCFVCC-UHFFFAOYSA-N 17759482 BRD-K83176916-001-01-4 WWL-123 0 96 Tocris 5317 WWL 123 436.179 CN(Cc1cccc(c1)-c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccc(cc1)C(N)=O UUJGYRHAOHORFC-UHFFFAOYSA-N 90209976 BRD-K83176916-001-02-9 WWL-123 0 96.84 Tocris 5317 WWL 123 436.179 CN(Cc1cccc(c1)-c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccc(cc1)C(N)=O UUJGYRHAOHORFC-UHFFFAOYSA-N 90209976 BRD-K43419711-001-01-4 WY-16922 0 96.26 Sigma PH006760 ethyl [2-(aminocarbonyl)-3-methoxyanilino](oxo)acetate 266.09 CCOC(=O)C(=O)Nc1cccc(OC)c1C(N)=O GGLRYZACPLNCKB-UHFFFAOYSA-N 198325 BRD-K00003540-001-01-9 WYE-125132 0 96.04 MedChemEx HY-10044 WYE-132 519.259 "CNC(=O)Nc1ccc(cc1)-c1nc(N2C[C@@H]3CC[C@H](C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 |&1:16,19|" QLHHRYZMBGPBJG-OYRHEFFESA-N 25227469 BRD-K77008974-001-04-9 WYE-354 0 95.6 MedChemEx HY-12034 WYE-354 495.223 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 IMXHGCRIEAKIBU-UHFFFAOYSA-N 44219749 BRD-K77008974-001-03-2 WYE-354 0 93.46 Selleck S1266 WYE-354 495.223 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 IMXHGCRIEAKIBU-UHFFFAOYSA-N 44219749 BRD-K49900195-300-01-8 WYE-687 0 94.1 Tocris 4282 WYE 687 528.26 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 VDOCQQKGPJENHJ-UHFFFAOYSA-N 25229450 BRD-K49900195-300-02-9 WYE-687 0 92.03 Tocris 4282 WYE 687 dihydrochloride 528.26 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 VDOCQQKGPJENHJ-UHFFFAOYSA-N 25229450 BRD-K73293050-001-03-1 WZ-3146 0 95.83 Selleck S1170 WZ3146 464.173 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1 APHGZZPEOCCYNO-UHFFFAOYSA-N 44607360 BRD-K72420232-001-13-1 WZ-4002 0 92.97 Selleck S1173 WZ4002 494.183 COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 ITTRLTNMFYIYPA-UHFFFAOYSA-N 44607530 BRD-K72420232-001-12-3 WZ-4002 0 83.41 Selleck S1173 WZ4002 494.183 COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 ITTRLTNMFYIYPA-UHFFFAOYSA-N 44607530 BRD-K45909031-001-01-5 WZ4003 0 95.12 Selleck S7317 WZ4003 496.199 CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1 SDGJBAUIGHSMRI-UHFFFAOYSA-N 72200024 BRD-K81728688-001-07-7 WZ8040 0 93.65 Selleck S1179 WZ8040 480.15 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1 KIISCIGBPUVZBF-UHFFFAOYSA-N 44607531 BRD-K81728688-001-04-4 WZ8040 0 94.06 Selleck S1179 WZ8040 480.15 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1 KIISCIGBPUVZBF-UHFFFAOYSA-N 44607531 BRD-K25359048-001-03-9 WZ811 0 94.05 Tocris 3951 WZ 811 290.153 C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 KBVFRXIGQQRMEF-UHFFFAOYSA-N 11565518 BRD-K25359048-001-02-6 WZ811 0 93.63 Selleck S2912 WZ811 290.153 C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 KBVFRXIGQQRMEF-UHFFFAOYSA-N 11565518 BRD-K88358234-003-05-5 xaliproden 0 99.21 Tocris 2491 Xaliproden hydrochloride 381.17 FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11| WJJYZXPHLSLMGE-UHFFFAOYSA-N 128919 BRD-K88358234-003-04-8 xaliproden 0 99.44 Tocris 2491 Xaliproden hydrochloride 381.17 FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11| WJJYZXPHLSLMGE-UHFFFAOYSA-N 128919 BRD-K88358234-003-06-9 xaliproden 0 97.9 Tocris 2491 Xaliproden hydrochloride 381.17 FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11| WJJYZXPHLSLMGE-UHFFFAOYSA-N 128919 BRD-A59337442-051-07-9 xamoterol 0 87.58 Tocris 950 Xamoterol hemifumarate 339.179 OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1 DXPOSRCHIDYWHW-UHFFFAOYSA-N 6917710 BRD-M39942365-051-06-2 BRD-A59337442-051-06-1 xamoterol 0 86.69 Tocris 950 (2E)-2-butenedioic acid compound with N-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-4-morpholinecarboxamide (1:2) 339.179 OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1 DXPOSRCHIDYWHW-UHFFFAOYSA-N 6917710 BRD-M39942365-051-07-0 BRD-A59337442-051-05-3 xamoterol 0 84.25 Tocris 950 Xamoterol hemifumarate 339.179 OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1 DXPOSRCHIDYWHW-UHFFFAOYSA-N 6917710 BRD-M39942365-051-05-4 BRD-K72815923-034-02-0 xanomeline 0 83.31 Tocris 3569 Xanomeline oxalate 281.156 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| JOLJIIDDOBNFHW-UHFFFAOYSA-N 60809 BRD-K72815923-034-01-2 xanomeline 0 97.8 MedChemEx HY-13410 Xanomeline (oxalate) 281.156 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| JOLJIIDDOBNFHW-UHFFFAOYSA-N 60809 BRD-K27135764-001-08-7 xanthone 0 97.15 Selleck S2372 Xanthone 196.052 O=c1c2ccccc2oc2ccccc12 JNELGWHKGNBSMD-UHFFFAOYSA-N 7020 BRD-K27135764-001-09-5 xanthone 0 97.2 Selleck S2372 XANTHONE 196.052 O=c1c2ccccc2oc2ccccc12 JNELGWHKGNBSMD-UHFFFAOYSA-N 7020 BRD-K12762134-001-10-4 XAV-939 0 95.63 Tocris 3748 XAV 939 312.054 FC(F)(F)c1ccc(cc1)-c1nc(=O)c2CSCCc2[nH]1 KLGQSVMIPOVQAX-UHFFFAOYSA-N 135418940 BRD-K12762134-001-07-0 XAV-939 0 96.8 Tocris 3748 XAV 939 312.054 FC(F)(F)c1ccc(cc1)-c1nc(=O)c2CSCCc2[nH]1 KLGQSVMIPOVQAX-UHFFFAOYSA-N 135418940 BRD-K12762134-001-06-2 XAV-939 0 95.05 Selleck S1180 XAV-939 312.054 FC(F)(F)c1ccc(cc1)-c1nc(=O)c2CSCCc2[nH]1 KLGQSVMIPOVQAX-UHFFFAOYSA-N 135418940 BRD-K45875383-001-02-0 XBD173 0 94.47 Tocris 5281 AC 5216 401.185 CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 NBMBIEOUVBHEBM-UHFFFAOYSA-N 6433109 BRD-K45875383-001-03-9 XBD173 0 98.27 Tocris 5281 AC 5216 401.185 CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 NBMBIEOUVBHEBM-UHFFFAOYSA-N 6433109 BRD-K45875383-001-01-2 XBD173 0 99.75 MedChemEx HY-15527 Emapunil 401.185 CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 NBMBIEOUVBHEBM-UHFFFAOYSA-N 6433109 BRD-K69211575-001-01-9 XD-14 0 87.21 Tocris 5489 XD 14 421.167 CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 DPBKLIVPNYGQQG-UHFFFAOYSA-N 52670832 BRD-K69211575-001-02-9 XD-14 0 86.91 Tocris 5489 XD 14 421.167 CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 DPBKLIVPNYGQQG-UHFFFAOYSA-N 52670832 BRD-K42748308-300-03-9 XE-991 0 97.5 Tocris 2000 XE 991 dihydrochloride 376.158 O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12 KHJFBUUFMUBONL-UHFFFAOYSA-N 656732 BRD-K42748308-300-02-0 XE-991 0 98.74 Tocris 2000 XE 991 dihydrochloride 376.158 O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12 KHJFBUUFMUBONL-UHFFFAOYSA-N 656732 BRD-K99506538-001-03-8 xenalipin 0 98.55 Enamine Z56854445 "4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid" 266.055 OC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F IQOMYCGTGFGDFN-UHFFFAOYSA-N 55251 BRD-A21446384-001-01-1 xibenolol 0 98.27 PrincetonBio OSSK_690214 "1-(tert-butylamino)-3-(2,3-dimethylphenoxy)-2-propanol" 251.189 "Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1C |&1:8,r|" RKUQLAPSGZJLGP-ZDUSSCGKSA-N 12179892 BRD-K79633074-001-01-8 xilobam 0 88.42 Enamine Z203043368 245.153 CN1CCC\C1=N\C(=O)Nc1c(C)cccc1C PAXRPWSXCPTPCA-QINSGFPZSA-N 6434391 BRD-K27393415-001-01-0 xipamide 0 99.61 OxChem AX8031911 354.044 Cc1cccc(C)c1NC(=O)c1cc(c(Cl)cc1O)S(N)(=O)=O MTZBBNMLMNBNJL-UHFFFAOYSA-N 26618 BRD-K04266228-001-04-6 XL019 0 71.68 MedChemEx HY-13775 XL019 444.227 O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@@H]1CCCN1 ISOCDPQFIXDIMS-QHCPKHFHSA-N 57990869 BRD-K04266228-001-05-3 XL019 0 85.4 MedChemEx HY-13775 XL019 444.227 O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@@H]1CCCN1 ISOCDPQFIXDIMS-QHCPKHFHSA-N 57990869 BRD-K04266228-001-02-0 XL019 0 59.13 Selleck S7036 XL019 444.227 O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@@H]1CCCN1 ISOCDPQFIXDIMS-QHCPKHFHSA-N 57990869 BRD-K04266228-001-03-8 XL019 0 74.61 Selleck S7036 XL019 444.227 O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@@H]1CCCN1 ISOCDPQFIXDIMS-QHCPKHFHSA-N 57990869 BRD-K00003439-001-01-9 XL041 0 98.23 MedChemEx HY-101973 XL041 608.111 CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O HNAJDMYOTDNOBK-UHFFFAOYSA-N 49787490 BRD-K95901403-001-04-5 XL147 0 96.66 Selleck S1118 XL-147 analog 448.078 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2nsnc2c1 MQMKRQLTIWPEDM-UHFFFAOYSA-N 1893730 BRD-K95901403-001-06-9 XL147 0 96.39 MedChemEx HY-11105 Pilaralisib analogue 448.078 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2nsnc2c1 MQMKRQLTIWPEDM-UHFFFAOYSA-N 1893730 BRD-K14274271-001-02-8 XL228 0 96.72 MedChemEx HY-15749 XL228 437.265 CC(C)c1cc(CNc2nc(Nc3cc(n[nH]3)C3CC3)cc(n2)N2CCN(C)CC2)on1 ALKJNCZNEOTEMP-UHFFFAOYSA-N 59757974 BRD-K14274271-001-01-0 XL228 0 70.02 MedChemEx HY-15749 XL228 437.265 CC(C)c1cc(CNc2nc(Nc3cc(n[nH]3)C3CC3)cc(n2)N2CCN(C)CC2)on1 ALKJNCZNEOTEMP-UHFFFAOYSA-N 59757974 BRD-K03549949-001-02-9 XL388 0 96.66 Tocris 4893 XL 388 455.132 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O LNFBAYSBVQBKFR-UHFFFAOYSA-N 59604787 BRD-K03549949-001-01-0 XL388 0 97.77 Selleck S7035 XL388 455.132 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O LNFBAYSBVQBKFR-UHFFFAOYSA-N 59604787 BRD-K03765900-001-01-9 XL647 0 95.23 MedChemEx HY-13314 XL-647 490.134 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C)C[C@H]2C1 HVXKQKFEHMGHSL-QKDCVEJESA-N BRD-K00003558-001-01-9 XL888 0 97.08 MedChemEx HY-13313 XL888 503.29 [H][C@]1(C[C@@H]2CC[C@H](C1)N2c1ccc(cn1)C(=O)C1CC1)NC(=O)c1cc(N[C@H](C)CC)c(cc1C)C(N)=O |TLB:9:8:4.5:1.2.7| LHGWWAFKVCIILM-HLRQEUIKSA-N BRD-K48449981-001-02-7 XMD17-109 0 98.26 Tocris 5393 ERK5-IN-1 638.369 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 XVBGRTMNFNMINE-UHFFFAOYSA-N 71604307 BRD-K48449981-001-01-9 XMD17-109 0 93.73 MedChemEx HY-15665 XMD17-109 638.369 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 XVBGRTMNFNMINE-UHFFFAOYSA-N 71604307 BRD-K50387473-001-11-0 XMD8-92 0 88.71 MedChemEx HY-14443 XMD8-92 474.238 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 QAPAJIZPZGWAND-UHFFFAOYSA-N 46843772 BRD-K50387473-001-09-4 XMD8-92 0 82.01 MedChemEx HY-14443 XMD8-92 474.238 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 QAPAJIZPZGWAND-UHFFFAOYSA-N 46843772 BRD-K50387473-001-10-2 XMD8-92 0 80.87 Tocris 4132 XMD 8-92 474.238 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 QAPAJIZPZGWAND-UHFFFAOYSA-N 46843772 BRD-K21565985-003-24-9 xylazine 0 97.88 MedChemEx HY-B0443A Xylazine (hydrochloride) 220.103 Cc1cccc(C)c1NC1=NCCCS1 |t:10| BPICBUSOMSTKRF-UHFFFAOYSA-N 5707 BRD-K21565985-001-22-5 xylazine 0 99.59 MicroSource 1501200 XYLAZINE 220.103 Cc1cccc(C)c1NC1=NCCCS1 |t:10| BPICBUSOMSTKRF-UHFFFAOYSA-N 5707 BRD-K21565985-003-02-3 xylazine 0 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BRD-K09317629-004-01-7 Y-11 0 99.12 Tocris 4498 Y 11 185.14 OCC[N+]12CN3CN(CN(C3)C1)C2 SQWGHMPVSMSPNY-UHFFFAOYSA-N 427018 BRD-K94832621-001-03-1 Y-134 0 91.22 Tocris 2676 Y 134 472.182 CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 LQEOPHGPHCWOAC-UHFFFAOYSA-N 11784736 BRD-K94832621-001-02-3 Y-134 0 93.3 Tocris 2676 Y 134 472.182 CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 LQEOPHGPHCWOAC-UHFFFAOYSA-N 11784736 BRD-K94832621-001-04-9 Y-134 0 93.94 Tocris 2676 Y 134 472.182 CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 LQEOPHGPHCWOAC-UHFFFAOYSA-N 11784736 BRD-K45117373-001-02-9 Y-26763 0 95.72 Tocris 2076 Y-26763 276.111 CC(=O)N(O)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N IWTCFIIOUXJOOV-OLZOCXBDSA-N 121878 BRD-K45117373-001-03-9 Y-26763 0 96.19 Tocris 2076 Y-26763 276.111 CC(=O)N(O)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N IWTCFIIOUXJOOV-OLZOCXBDSA-N 121878 BRD-K42679050-001-02-1 Y-27152 0 99.08 Tocris 2077 Y-27152 366.158 CC(=O)N(OCc1ccccc1)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N RHFUXPCCELGMFC-UXHICEINSA-N 6918184 BRD-K42679050-001-03-9 Y-27152 0 97.79 Tocris 2077 Y-27152 366.158 CC(=O)N(OCc1ccccc1)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N RHFUXPCCELGMFC-UXHICEINSA-N 6918184 BRD-K44084986-300-09-2 Y-27632 0 99.62 Selleck S1049 Y-27632 2HCl 247.168 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 IYOZTVGMEWJPKR-IJLUTSLNSA-N BRD-K44084986-300-08-4 Y-27632 0 94.59 Tocris 1254 Y-27632 dihydrochloride 247.168 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 IYOZTVGMEWJPKR-IJLUTSLNSA-N BRD-K44084986-300-07-6 Y-27632 0 85.52 Selleck S1049 Y-27632 2HCl 247.168 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 IYOZTVGMEWJPKR-IJLUTSLNSA-N BRD-K48449073-034-02-7 Y-29794 0 64.16 Tocris 1634 Y-29794 oxalate 418.211 CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1 HAGHKJDWBDSFKC-UHFFFAOYSA-N 195609 BRD-K48449073-034-03-9 Y-29794 0 89.89 Tocris 1634 Y-29794 oxalate 418.211 CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1 HAGHKJDWBDSFKC-UHFFFAOYSA-N 195609 BRD-K96259238-001-01-4 Y-320 0 93.42 Selleck S7516 Y-320 504.204 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCC(CC2)N2CCOCC2)c(c1)C#N BWZNJVZTAWBIFG-UHFFFAOYSA-N 22227931 BRD-K96259238-001-02-9 Y-320 0 96.38 MedChemEx HY-15898 Y-320 504.204 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCC(CC2)N2CCOCC2)c(c1)C#N BWZNJVZTAWBIFG-UHFFFAOYSA-N 22227931 BRD-K56751279-300-04-9 Y-39983 0 95.39 MedChemEx HY-10069 Y-33075 (dihydrochloride) 280.132 C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 JTVBXQAYBIJXRP-SNVBAGLBSA-N 9810884 BRD-K56751279-300-01-4 Y-39983 0 97.51 MedChemEx HY-10069 Y-33075 (dihydrochloride) 280.132 C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 JTVBXQAYBIJXRP-SNVBAGLBSA-N 9810884 BRD-K81865756-001-02-5 Y16 0 63.43 MedChemEx HY-12649 Y16 384.147 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1 ITMLWGWTDWJSRZ-PXLXIMEGSA-N 989521 BRD-K81865756-001-01-7 Y16 0 62.91 MedChemEx HY-12649 Y16 384.147 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1 ITMLWGWTDWJSRZ-PXLXIMEGSA-N 989521 BRD-K60476892-001-16-1 YC-1 0 93.54 Tocris 4307 YC 1 304.121 OCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12 OQQVFCKUDYMWGV-UHFFFAOYSA-N 5712 BRD-K60476892-001-17-9 YC-1 0 95.49 Tocris 4307 YC 1 304.121 OCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12 OQQVFCKUDYMWGV-UHFFFAOYSA-N 5712 BRD-K91403886-003-01-4 YIL-781 0 79.24 Tocris 3959 YIL 781 409.217 CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1 FRKXOBMDEXCHHD-SFHVURJKSA-N 23631116 BRD-K91403886-003-02-9 YIL-781 0 95.61 Tocris 3959 YIL 781 409.217 CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1 FRKXOBMDEXCHHD-SFHVURJKSA-N 23631116 BRD-A62182663-001-04-8 YK-4-279 0 95.76 Tocris 4067 YK 4-279 365.022 "COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)Nc2c1c(Cl)ccc2Cl |&1:11,r|" HLXSCTYHLQHQDJ-KRWDZBQOSA-N 93948843 BRD-A62182663-001-03-0 YK-4-279 0 98.2 MedChemEx HY-14507 YK-4-279 365.022 "COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)Nc2c1c(Cl)ccc2Cl |&1:11,r|" HLXSCTYHLQHQDJ-KRWDZBQOSA-N 93948843 BRD-K00003390-003-01-9 YL0919 0 96.45 MedChemEx HY-100769 YL0919 298.168 OC1(Cn2ccccc2=O)CCN(Cc2ccccc2)CC1 BGMVOROUOUVVRV-UHFFFAOYSA-N 54673543 BRD-K09436144-001-01-7 YM-022 0 99.62 Sigma MFCD00917023 "N-(3-methylphenyl)-N'-{(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea" 516.216 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| YCXFHPUBGMMWJQ-PMERELPUSA-N 122130 BRD-K76703230-004-09-9 YM-155 0 63.9 MedChemEx HY-10194 YM-155 363.146 COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O OTSOOHRUMBRSHZ-UHFFFAOYSA-N 10126189 BRD-K76703230-004-04-1 YM-155 0 93.58 Selleck S1130 YM155 (Sepantronium Bromide) 363.146 COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O OTSOOHRUMBRSHZ-UHFFFAOYSA-N 10126189 BRD-U99450240-000-01-2 BRD-K76703230-004-03-3 YM-155 0 87.81 MedChemEx HY-10194 YM-155 363.146 COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O OTSOOHRUMBRSHZ-UHFFFAOYSA-N 10126189 BRD-K48488978-001-05-3 YM-201636 0 95.9 Selleck S1219 YM201636 467.171 Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 YBPIBGNBHHGLEB-UHFFFAOYSA-N 9956222 BRD-K52087522-300-02-9 YM-244769 0 93.37 Tocris 4544 YM 244769 443.165 Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1 JZMLHJRKSJXARY-UHFFFAOYSA-N 11442117 BRD-K52087522-300-01-2 YM-244769 0 94.4 Tocris 4544 YM 244769 443.165 Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1 JZMLHJRKSJXARY-UHFFFAOYSA-N 11442117 BRD-K59650319-003-03-3 YM-298198 0 61.48 Tocris 2448 YM 298198 hydrochloride 342.151 CN(C1CCCCC1)C(=O)c1sc2nc3ccc(N)cc3n2c1C KCBXOMYXOBVLED-UHFFFAOYSA-N 9819432 BRD-K59650319-003-04-9 YM-298198 0 82.45 Tocris 2448 YM 298198 hydrochloride 342.151 CN(C1CCCCC1)C(=O)c1sc2nc3ccc(N)cc3n2c1C KCBXOMYXOBVLED-UHFFFAOYSA-N 9819432 BRD-K48059230-003-02-9 YM-298198-desmethyl 0 68.02 Tocris 2447 Desmethyl-YM 298198 328.136 Cc1c(sc2nc3ccc(N)cc3n12)C(=O)NC1CCCCC1 VWOMTTIMBHBPBI-UHFFFAOYSA-N 11716890 BRD-K48059230-003-03-9 YM-298198-desmethyl 0 87.86 Tocris 2447 Desmethyl-YM 298198 328.136 Cc1c(sc2nc3ccc(N)cc3n12)C(=O)NC1CCCCC1 VWOMTTIMBHBPBI-UHFFFAOYSA-N 11716890 BRD-K38398115-001-01-9 YM-511 0 98.92 Tocris 3278 "4-[(4-bromobenzyl)(4H-1,2,4-triazol-4-yl)amino]benzonitrile" 353.028 Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1 GGPPBTSXFROGAE-UHFFFAOYSA-N 177865 BRD-K38398115-001-02-9 YM-511 0 Tocris 3278 YM 511 353.028 Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1 GGPPBTSXFROGAE-UHFFFAOYSA-N 177865 BRD-K42563464-001-02-7 YM-58483 0 89.27 Tocris 3939 YM 58483 421.043 Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F XPRZIORDEVHURQ-UHFFFAOYSA-N 2455 BRD-K42563464-001-01-9 YM-58483 0 99.86 EMDBio 203890-5MG "CRAC Channel Inhibitor, BTP2" 421.043 Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F XPRZIORDEVHURQ-UHFFFAOYSA-N 2455 BRD-K91716465-001-01-2 YM-750 0 98.4 Tocris 3039 N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N'-mesitylurea 452.283 Cc1cc(C)c(NC(=O)N(Cc2ccc-3c(Cc4ccccc-34)c2)C2CCCCCC2)c(C)c1 FMLJREWZCZHGGW-UHFFFAOYSA-N 9911716 BRD-K91716465-001-02-9 YM-750 0 Tocris 3039 YM 750 452.283 Cc1cc(C)c(NC(=O)N(Cc2ccc-3c(Cc4ccccc-34)c2)C2CCCCCC2)c(C)c1 FMLJREWZCZHGGW-UHFFFAOYSA-N 9911716 BRD-K06712146-001-03-8 YM-90709 0 88.31 MedChemEx HY-19969 YM-90709 359.163 COc1cc2CC(C)(C)n3c(cc4nc5ccccc5nc34)-c2cc1OC HIXSPVQXXDULHS-UHFFFAOYSA-N 1103147 BRD-K06712146-001-04-9 YM-90709 0 95.6 Tocris 1675 YM 90709 359.163 COc1cc2CC(C)(C)n3c(cc4nc5ccccc5nc34)-c2cc1OC HIXSPVQXXDULHS-UHFFFAOYSA-N 1103147 BRD-K06712146-001-02-0 YM-90709 0 0 Tocris 1675 YM 90709 359.163 COc1cc2CC(C)(C)n3c(cc4nc5ccccc5nc34)-c2cc1OC HIXSPVQXXDULHS-UHFFFAOYSA-N 1103147 BRD-K12932420-001-03-1 YM-976 0 96.89 Tocris 1821 YM 976 313.098 CCc1ccc2c(nc(=O)n(CC)c2n1)-c1cccc(Cl)c1 MNHXYNNKDDXKNP-UHFFFAOYSA-N 6604918 BRD-K12932420-001-04-9 YM-976 0 98.61 Tocris 1821 YM 976 313.098 CCc1ccc2c(nc(=O)n(CC)c2n1)-c1cccc(Cl)c1 MNHXYNNKDDXKNP-UHFFFAOYSA-N 6604918 BRD-K12932420-001-02-3 YM-976 0 97.79 Tocris 1821 YM 976 313.098 CCc1ccc2c(nc(=O)n(CC)c2n1)-c1cccc(Cl)c1 MNHXYNNKDDXKNP-UHFFFAOYSA-N 6604918 BRD-K04622161-001-04-9 YO-01027 0 97.84 Tocris 4489 DBZ 463.171 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O QSHGISMANBKLQL-OWJWWREXSA-N 11454028 BRD-K04622161-001-03-1 YO-01027 0 96.71 Tocris 4489 DBZ 463.171 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O QSHGISMANBKLQL-OWJWWREXSA-N 11454028 BRD-K04622161-001-02-3 YO-01027 0 95.52 Selleck S2711 YO-01027 463.171 C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O QSHGISMANBKLQL-OWJWWREXSA-N 11454028 BRD-K88570498-001-01-9 yoda-1 0 96.08 Tocris 5586 Yoda 1 353.957 Clc1cccc(Cl)c1CSc1nnc(s1)-c1cnccn1 BQNXBSYSQXSXPT-UHFFFAOYSA-N 2746822 BRD-K88570498-001-02-9 yoda-1 0 94.7 Tocris 5586 Yoda 1 353.957 Clc1cccc(Cl)c1CSc1nnc(s1)-c1cnccn1 BQNXBSYSQXSXPT-UHFFFAOYSA-N 2746822 BRD-K35586044-003-15-4 yohimbine 0 97.72 Tocris 1127 Yohimbine hydrochloride 354.194 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-SCYLSFHTSA-N 8969 BRD-K35586044-003-14-7 yohimbine 0 93.67 Selleck S2373 Yohimbine HCl 354.194 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-SCYLSFHTSA-N 8969 BRD-K35586044-003-16-2 yohimbine 0 95.74 MicroSource 1500663 YOHIMBINE HYDROCHLORIDE 354.194 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 BLGXFZZNTVWLAY-SCYLSFHTSA-N 8969 BRD-A87445400-003-04-4 BRD-K06208435-003-08-2 YS-035 0 96.03 Tocris 416 YS-035 hydrochloride 359.21 COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC OXZMQFKVNVQMLI-UHFFFAOYSA-N 5714 BRD-K06208435-003-09-9 YS-035 0 94.98 Tocris 416 YS-035 hydrochloride 359.21 COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC OXZMQFKVNVQMLI-UHFFFAOYSA-N 5714 BRD-K00004746-001-01-9 YS-201 0 93.12 MedChemEx HY-U00137 YS-201 457.221 "CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN1CCCCC1 |&1:12,r,c:5,10|" LBSRZVRITCRLIU-JOCHJYFZSA-N 29942219 BRD-K53438416-001-02-9 YZ9 0 95.85 Tocris 5048 YZ9 234.053 CCOC(=O)c1cc2ccc(O)cc2oc1=O IETDBZQIWIJQJG-UHFFFAOYSA-N 5289613 BRD-K53438416-001-01-9 YZ9 0 97.18 Tocris 5048 YZ9 234.053 CCOC(=O)c1cc2ccc(O)cc2oc1=O IETDBZQIWIJQJG-UHFFFAOYSA-N 5289613 BRD-K16037980-001-01-1 Z160 0 89.44 MedChemEx HY-14462 NP118809 460.251 O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 VCPMZDWBEWTGNW-UHFFFAOYSA-N 4988454 BRD-K16037980-001-02-9 Z160 0 97.39 MedChemEx HY-14462 NP118809 460.251 O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 VCPMZDWBEWTGNW-UHFFFAOYSA-N 4988454 BRD-K01826799-003-03-9 zacopride 0 97.84 Tocris 1795 Zacopride hydrochloride 345.101 "COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |&1:13,THB:12:13:16.17:19.20|" FEROPKNOYKURCJ-ZDUSSCGKSA-N 9819593 BRD-K01826799-003-02-9 zacopride 0 94.28 Tocris 1795 Zacopride hydrochloride 345.101 "COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |&1:13,THB:12:13:16.17:19.20|" FEROPKNOYKURCJ-ZDUSSCGKSA-N 9819593 BRD-K71289571-001-11-4 zafirlukast 0 95.1 Selleck S1633 Zafirlukast 575.209 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C YEEZWCHGZNKEEK-UHFFFAOYSA-N 5717 BRD-K85925969-001-17-4 zalcitabine 0 100 MicroSource 1502360 ZALCITABINE 211.096 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 WREGKURFCTUGRC-POYBYMJQSA-N 24066 BRD-K85925969-001-16-6 zalcitabine 0 95.49 Selleck S1719 Zalcitabine 211.096 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 WREGKURFCTUGRC-POYBYMJQSA-N 24066 BRD-K85925969-001-19-9 zalcitabine 0 98.78 MedChemEx HY-17392 Zalcitabine 211.096 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 WREGKURFCTUGRC-POYBYMJQSA-N 24066 BRD-A26032986-050-03-9 zaldaride 0 96.11 Tocris 2255 CGS 9343B 428.221 C[C@@]1(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)OCc2ccccc2-n2cccc12 |&1:1| HTGCJAAPDHZCHL-SANMLTNESA-N 92460626 BRD-A26032986-050-02-1 zaldaride 0 95.7 Tocris 2255 CGS 9343B 428.221 C[C@@]1(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)OCc2ccccc2-n2cccc12 |&1:1| HTGCJAAPDHZCHL-SANMLTNESA-N 92460626 BRD-A26032986-050-04-9 zaldaride 0 95.95 Tocris 2255 CGS 9343B 428.221 C[C@@]1(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)OCc2ccccc2-n2cccc12 |&1:1| HTGCJAAPDHZCHL-SANMLTNESA-N 92460626 BRD-K12261274-001-02-4 zaltidine 0 88.8 MedChemEx HY-15541 Zaltidine 222.069 Cc1nc(c[nH]1)-c1csc(NC(N)=N)n1 GIMNAEMRNXUAQP-UHFFFAOYSA-N 56051 BRD-K12261274-001-01-6 zaltidine 0 41.48 MedChemEx HY-15541 Zaltidine 222.069 Cc1nc(c[nH]1)-c1csc(NC(N)=N)n1 GIMNAEMRNXUAQP-UHFFFAOYSA-N 56051 BRD-A00578795-001-04-3 zaltoprofen 0 97.2 Selleck S3008 Zaltoprofen 298.066 "C[C@@H](C(O)=O)c1ccc2Sc3ccccc3C(=O)Cc2c1 |&1:1,r|" MUXFZBHBYYYLTH-SNVBAGLBSA-N 13306545 BRD-A00578795-001-05-9 zaltoprofen 0 94.42 MedChemEx HY-B0619 Zaltoprofen 298.066 "C[C@@H](C(O)=O)c1ccc2Sc3ccccc3C(=O)Cc2c1 |&1:1,r|" MUXFZBHBYYYLTH-SNVBAGLBSA-N 13306545 BRD-K11984358-001-01-3 ZAMI-633 1 0 PrincetonBio OSSM_091798 N-hydroxypropanamide 89.048 CCC(=O)NO RSIPQHOWTCNEBI-UHFFFAOYSA-N 75743 BRD-K80451230-051-03-4 zamifenacin 0 96.5 Tocris 2579 Zamifenacin fumarate 415.215 C(Cc1ccc2OCOc2c1)N1CCC[C@H](C1)OC(c1ccccc1)c1ccccc1 BDNFQGRSKSQXRI-XMMPIXPASA-N 3086618 BRD-K80451230-051-02-6 zamifenacin 0 97.71 Tocris 2579 Zamifenacin fumarate 415.215 C(Cc1ccc2OCOc2c1)N1CCC[C@H](C1)OC(c1ccccc1)c1ccccc1 BDNFQGRSKSQXRI-XMMPIXPASA-N 3086618 BRD-K80451230-051-04-9 zamifenacin 0 91.68 Tocris 2579 Zamifenacin fumarate 415.215 C(Cc1ccc2OCOc2c1)N1CCC[C@H](C1)OC(c1ccccc1)c1ccccc1 BDNFQGRSKSQXRI-XMMPIXPASA-N 3086618 BRD-K23067689-001-04-9 zanamivir 0 100 MedChemEx HY-13210 Zanamivir 332.133 CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |c:10| ARAIBEBZBOPLMB-UFGQHTETSA-N 60855 BRD-K23067689-001-03-9 zanamivir 0 29.28 Selleck S3007 Zanamivir 332.133 CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |c:10| ARAIBEBZBOPLMB-UFGQHTETSA-N 60855 BRD-K75153898-001-01-5 BRD-K23067689-001-02-1 zanamivir 0 100 Selleck S3007 Zanamivir (Relenza) 332.133 CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |c:10| ARAIBEBZBOPLMB-UFGQHTETSA-N 60855 BRD-K00003413-001-01-9 zanubrutinib 0 92.97 MedChemEx HY-101474A Zanubrutinib 471.227 NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 RNOAOAWBMHREKO-QFIPXVFZSA-N 135565884 BRD-K44825564-065-01-4 ZAPA 1 0 Tocris 180 ZAPA sulfate 146.015 NC(=N)S\C=C/C(O)=O QEYNZJBVNYDZKZ-UPHRSURJSA-N 6604703 BRD-K44825564-065-02-9 ZAPA 1 100 Tocris 180 ZAPA sulfate 146.015 NC(=N)S\C=C/C(O)=O QEYNZJBVNYDZKZ-UPHRSURJSA-N 6604703 BRD-K16542329-001-16-8 zaprinast 0 98.4 Tocris 947 Zaprinast 271.107 CCCOc1ccccc1-c1nc(=O)c2n[nH]nc2[nH]1 REZGGXNDEMKIQB-UHFFFAOYSA-N 135399235 BRD-K16542329-001-14-3 zaprinast 0 99 MicroSource 1501199 ZAPRINAST 271.107 CCCOc1ccccc1-c1nc(=O)c2n[nH]nc2[nH]1 REZGGXNDEMKIQB-UHFFFAOYSA-N 135399235 BRD-K16542329-001-13-5 zaprinast 0 99.3 Tocris 947 Zaprinast 271.107 CCCOc1ccccc1-c1nc(=O)c2n[nH]nc2[nH]1 REZGGXNDEMKIQB-UHFFFAOYSA-N 135399235 BRD-K37561857-001-18-9 zardaverine 0 97.81 Tocris 1046 Zardaverine 268.066 COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 HJMQDJPMQIHLPB-UHFFFAOYSA-N 5723 BRD-K37561857-001-17-1 zardaverine 0 99.64 Tocris 1046 Zardaverine 268.066 COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 HJMQDJPMQIHLPB-UHFFFAOYSA-N 5723 BRD-K37561857-001-15-5 zardaverine 0 99 Tocris 1046 Zardaverine 268.066 COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 HJMQDJPMQIHLPB-UHFFFAOYSA-N 5723 BRD-K92446736-003-03-0 zatebradine 0 94.13 MedChemEx HY-13422 Zatebradine (hydrochloride) 456.262 COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC KEDQCFRVSHYKLR-UHFFFAOYSA-N 65637 BRD-K92446736-001-01-8 zatebradine 0 93.18 MedChemEx HY-13422A Zatebradine 456.262 COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC KEDQCFRVSHYKLR-UHFFFAOYSA-N 65637 BRD-K92446736-003-02-2 zatebradine 0 79.37 Tocris 2202 Zatebradine hydrochloride 456.262 COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC KEDQCFRVSHYKLR-UHFFFAOYSA-N 65637 BRD-K22829793-001-04-9 ZCL-278 0 90.13 Tocris 4794 ZCL 278 582.975 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1 XKZDWYDHEBCGCG-UHFFFAOYSA-N 1791111 BRD-K22829793-001-03-6 ZCL-278 0 91.54 Tocris 4794 ZCL 278 582.975 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1 XKZDWYDHEBCGCG-UHFFFAOYSA-N 1791111 BRD-K22829793-001-02-8 ZCL-278 0 88.66 Selleck S7293 ZCL 278 582.975 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1 XKZDWYDHEBCGCG-UHFFFAOYSA-N 1791111 BRD-K22829793-001-01-0 ZCL-278 0 88.78 Selleck S7293 ZCL278 582.975 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1 XKZDWYDHEBCGCG-UHFFFAOYSA-N 1791111 BRD-K00004620-001-01-9 ZD-0947 0 90.69 Sigma SML2055 "3-[(4S)-5-oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydro-4-quinolinyl]benzonitrile" 318.098 "FC(F)(F)C1=C[C@H](C2=C(CCCC2=O)N1)c1cccc(c1)C#N |t:4,7|" RUVMMEREJMHLOS-LBPRGKRZSA-N 9818432 BRD-K64157027-003-02-7 ZD-2079 0 96.4 Tocris 2154 ZD 2079 315.147 O[C@@H](CNCCOc1ccc(CC(O)=O)cc1)c1ccccc1 SRBPKVWITYPHQR-KRWDZBQOSA-N 158794 BRD-K64157027-003-03-9 ZD-2079 0 94.27 Tocris 2154 ZD 2079 315.147 O[C@@H](CNCCOc1ccc(CC(O)=O)cc1)c1ccccc1 SRBPKVWITYPHQR-KRWDZBQOSA-N 158794 BRD-K28971625-003-02-9 ZD-7114 0 90.51 Tocris 930 ZD 7114 hydrochloride 418.21 COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 RVMBDLSFFNKKLG-SFHVURJKSA-N 121877 BRD-K28971625-003-01-4 ZD-7114 0 97.54 Tocris 930 ZD 7114 hydrochloride 418.21 COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 RVMBDLSFFNKKLG-SFHVURJKSA-N 121877 BRD-K11373525-003-03-9 ZD-7155 0 97.68 Tocris 1211 ZD 7155 hydrochloride 438.217 CCc1cc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc2c(CC)n1 BFVNEYDCFJNLGN-UHFFFAOYSA-N 4673492 BRD-K11373525-003-02-1 ZD-7155 0 97.94 Tocris 1211 ZD 7155 hydrochloride 438.217 CCc1cc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc2c(CC)n1 BFVNEYDCFJNLGN-UHFFFAOYSA-N 4673492 BRD-K18678457-003-03-6 ZD-7288 0 97.52 Tocris 1000 ZD 7288 257.177 CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1 JABSKGQQWUDVRU-UHFFFAOYSA-N 123984 BRD-K18678457-003-04-9 ZD-7288 0 100 Tocris 1000 ZD 7288 256.169 CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1 JABSKGQQWUDVRU-UHFFFAOYSA-N 123984 BRD-K18678457-003-02-8 ZD-7288 0 96.69 Tocris 1000 ZD 7288 257.177 CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1 JABSKGQQWUDVRU-UHFFFAOYSA-N 123984 BRD-K90033078-001-08-7 zeatin 0 96.05 TimTec ST057583 (2E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol 219.112 C\C(CO)=C/CNc1ncnc2nc[nH]c12 UZKQTCBAMSWPJD-FARCUNLSSA-N 449093 BRD-K87714311-001-02-7 zebularine 0 0 Tocris 2293 Zebularine 228.075 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O RPQZTTQVRYEKCR-WCTZXXKLSA-N 100016 BRD-K87714311-001-05-9 zebularine 0 100 Tocris 2293 Zebularine 228.075 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O RPQZTTQVRYEKCR-WCTZXXKLSA-N 100016 BRD-K87714311-001-04-3 zebularine 0 0 Selleck S7113 Zebularine 228.075 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O RPQZTTQVRYEKCR-WCTZXXKLSA-N 100016 BRD-K58673634-001-01-2 BRD-K87714311-001-03-5 zebularine 0 71.32 Selleck S7113 Zebularine 228.075 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O RPQZTTQVRYEKCR-WCTZXXKLSA-N 100016 BRD-A01145011-001-07-1 BRD-K31553034-001-03-0 zibotentan 0 95.3 Selleck S1456 Zibotentan (ZD4054) 424.095 COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1 FJHHZXWJVIEFGJ-UHFFFAOYSA-N 9910224 BRD-K72903603-001-24-4 zidovudine 0 96.81 Selleck S2579 Zidovudine 267.097 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O HBOMLICNUCNMMY-XLPZGREQSA-N 35370 BRD-K72903603-001-27-9 zidovudine 0 94.55 MedChemEx HY-17413 Zidovudine 267.097 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O HBOMLICNUCNMMY-XLPZGREQSA-N 35370 BRD-K72903603-001-26-9 zidovudine 0 92.72 Selleck S2579 ZIDOVUDINE [AZT] 267.097 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O HBOMLICNUCNMMY-XLPZGREQSA-N 35370 BRD-A56359832-001-15-2 zileuton 0 79.77 Tocris 3308 Zileuton 236.062 "C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |&1:1,r|" MWLSOWXNZPKENC-SSDOTTSWSA-N 10681296 BRD-A56359832-001-12-9 zileuton 0 78.81 MicroSource 1505906 ZILEUTON 236.062 "C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |&1:1,r|" MWLSOWXNZPKENC-SSDOTTSWSA-N 10681296 BRD-A56359832-001-13-7 zileuton 0 92.71 Selleck S1443 Zileuton 236.062 "C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |&1:1,r|" MWLSOWXNZPKENC-SSDOTTSWSA-N 10681296 BRD-A56359832-001-11-1 zileuton 0 85.03 Selleck S1443 Zileuton 236.062 "C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |&1:1,r|" MWLSOWXNZPKENC-SSDOTTSWSA-N 10681296 BRD-A56359832-001-16-9 zileuton 0 61.81 MedChemEx HY-14164 Zileuton 236.062 "C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |&1:1,r|" MWLSOWXNZPKENC-SSDOTTSWSA-N 10681296 BRD-K42816473-001-01-0 zilpaterol 0 97.26 Cayman 16484 "(6S,7S)-7-(isopropylamino)-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulene-1,6-diol" 261.148 CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O ZSTCZWJCLIRCOJ-AAEUAGOBSA-N 25218684 BRD-K46914825-300-07-9 zimelidine 0 94.42 Tocris 1767 Zimelidine dihydrochloride 316.058 CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1 OYPPVKRFBIWMSX-SXGWCWSVSA-N 5365247 BRD-K46914825-300-01-0 zimelidine 0 95.65 Tocris 1767 Zimelidine dihydrochloride 316.058 CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1 OYPPVKRFBIWMSX-SXGWCWSVSA-N 5365247 BRD-K13330768-001-01-1 zinc-undecylenate 1 0 MicroSource 1505467 ZINC UNDECYLENATE [4mM] 430.206 C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C YMCOHQVWOBMDCZ-UHFFFAOYSA-L 11179 BRD-K86452172-410-01-8 BRD-K13330768-001-02-9 zinc-undecylenate 1 0 MedChemEx HY-B0914A 10-Undecenoic acid (zinc salt) 430.206 C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C YMCOHQVWOBMDCZ-UHFFFAOYSA-L 11179 BRD-K26598477-001-01-0 zindotrine 0 0 Labotest LT00032874 "8-methyl-6-(1-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazine" 217.133 Cc1cc(nn2cnnc12)N1CCCCC1 YYHWOTFWBVRTQD-UHFFFAOYSA-N 41856 BRD-K29582115-066-01-2 ziprasidone 0 94.98 MicroSource 1503850 ZIPRASIDONE MESYLATE 412.112 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 MVWVFYHBGMAFLY-UHFFFAOYSA-N 60854 BRD-K29582115-003-03-1 ziprasidone 0 90.61 Selleck S1444 Ziprasidone HCl 412.112 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 MVWVFYHBGMAFLY-UHFFFAOYSA-N 60854 BRD-K00003431-001-01-9 ziritaxestat 0 94.19 MedChemEx HY-101772 Ziritaxestat 588.243 CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 REQQVBGILUTQNN-UHFFFAOYSA-N 90420193 BRD-K05151076-001-03-4 ZK-164015 0 87.31 Tocris 2183 ZK 164015 513.291 CCCCCS(=O)(=O)CCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 LYJSJVYJLZOMCD-UHFFFAOYSA-N 9806489 BRD-K05151076-001-02-6 ZK-164015 0 94.03 Tocris 2183 ZK 164015 513.291 CCCCCS(=O)(=O)CCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 LYJSJVYJLZOMCD-UHFFFAOYSA-N 9806489 BRD-K05151076-001-04-9 ZK-164015 0 93.85 Tocris 2183 ZK 164015 513.291 CCCCCS(=O)(=O)CCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 LYJSJVYJLZOMCD-UHFFFAOYSA-N 9806489 BRD-K67525671-001-03-3 ZK-200775 0 97.52 Tocris 2345 ZK 200775 409.065 OP(O)(=O)Cn1c2cc(N3CCOCC3)c(cc2[nH]c(=O)c1=O)C(F)(F)F WZMQMKNCWDCCMT-UHFFFAOYSA-N 208953 BRD-K67525671-001-02-5 ZK-200775 0 97.04 Tocris 2345 ZK 200775 409.065 OP(O)(=O)Cn1c2cc(N3CCOCC3)c(cc2[nH]c(=O)c1=O)C(F)(F)F WZMQMKNCWDCCMT-UHFFFAOYSA-N 208953 BRD-K67525671-001-04-9 ZK-200775 0 98.5 Tocris 2345 ZK 200775 409.065 OP(O)(=O)Cn1c2cc(N3CCOCC3)c(cc2[nH]c(=O)c1=O)C(F)(F)F WZMQMKNCWDCCMT-UHFFFAOYSA-N 208953 BRD-K91825936-001-02-0 ZK-811752 0 98.41 Tocris 3496 BX 471 434.152 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O XQYASZNUFDVMFH-CQSZACIVSA-N 512282 BRD-K91825936-001-01-2 ZK-811752 0 100 MedChemEx HY-12080 BX471 434.152 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O XQYASZNUFDVMFH-CQSZACIVSA-N 512282 BRD-K91825936-001-03-9 ZK-811752 0 98.17 Tocris 3496 BX 471 434.152 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O XQYASZNUFDVMFH-CQSZACIVSA-N 512282 BRD-K33882852-003-03-6 ZK-93423 0 96.03 Tocris 1994 ZK 93423 hydrochloride 390.158 CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC ALBKMJDFBZVHAK-UHFFFAOYSA-N 121926 BRD-K33882852-003-04-9 ZK-93423 0 94.16 Tocris 1994 ZK 93423 hydrochloride 390.158 CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC ALBKMJDFBZVHAK-UHFFFAOYSA-N 121926 BRD-K33882852-003-02-8 ZK-93423 0 95.26 Tocris 1994 ZK 93423 hydrochloride 390.158 CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC ALBKMJDFBZVHAK-UHFFFAOYSA-N 121926 BRD-K68392338-003-03-8 ZK-93426 0 97.17 Tocris 1996 ZK 93426 hydrochloride 312.147 CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C VMDUABMKBUKKPG-UHFFFAOYSA-N 115210 BRD-K68392338-003-04-9 ZK-93426 0 92.36 Tocris 1996 ZK 93426 hydrochloride 312.147 CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C VMDUABMKBUKKPG-UHFFFAOYSA-N 115210 BRD-K68392338-003-02-0 ZK-93426 0 92.94 Tocris 1996 ZK 93426 hydrochloride 312.147 CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C VMDUABMKBUKKPG-UHFFFAOYSA-N 115210 BRD-K73073971-001-02-9 ZLN005 0 95.17 MedChemEx HY-17538 ZLN005 250.147 CC(C)(C)c1ccc(cc1)-c1nc2ccccc2[nH]1 LQUNNCQSFFKSSK-UHFFFAOYSA-N 899323 BRD-K73073971-001-01-7 ZLN005 0 98.14 Selleck S7447 ZLN005 250.147 CC(C)(C)c1ccc(cc1)-c1nc2ccccc2[nH]1 LQUNNCQSFFKSSK-UHFFFAOYSA-N 899323 BRD-K64103579-003-01-5 ZLN024 0 89 Tocris 5285 ZLN 024 hydrochloride 323.993 Cc1ccc(OCCSc2ncccn2)c(Br)c1 KWJRSHZSULRJHE-UHFFFAOYSA-N 1825716 BRD-K64103579-003-02-9 ZLN024 0 93.76 Tocris 5285 ZLN 024 hydrochloride 323.993 Cc1ccc(OCCSc2ncccn2)c(Br)c1 KWJRSHZSULRJHE-UHFFFAOYSA-N 1825716 BRD-A62209527-001-05-9 ZM-226600 0 93.11 Tocris 882 ZM 226600 373.06 C[C@@](O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F |&1:1| LJLXQHHFAKVTNP-OAHLLOKOSA-N 92211533 BRD-A62209527-001-04-5 ZM-226600 0 95.64 Tocris 882 373.06 C[C@@](O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F |&1:1| LJLXQHHFAKVTNP-OAHLLOKOSA-N 92211533 BRD-K19605405-001-03-5 ZM-241385 0 91.03 Tocris 1036 ZM 241385 337.129 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 PWTBZOIUWZOPFT-UHFFFAOYSA-N 176407 BRD-K19605405-001-04-9 ZM-241385 0 97.7 Tocris 1036 ZM 241385 337.129 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 PWTBZOIUWZOPFT-UHFFFAOYSA-N 176407 BRD-K19605405-001-02-7 ZM-241385 0 99.1 Tocris 1036 ZM 241385 337.129 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 PWTBZOIUWZOPFT-UHFFFAOYSA-N 176407 BRD-K41337261-003-02-8 ZM-306416 0 96.64 Tocris 2499 ZM 306416 hydrochloride 333.068 COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC YHUIUSRCUKUUQA-UHFFFAOYSA-N 5329006 BRD-K41337261-003-04-9 ZM-306416 0 96.37 Tocris 2499 ZM 306416 hydrochloride 333.068 COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC YHUIUSRCUKUUQA-UHFFFAOYSA-N 5329006 BRD-K41337261-001-03-0 ZM-306416 0 97.56 Selleck S2897 ZM 306416 333.068 COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC YHUIUSRCUKUUQA-UHFFFAOYSA-N 5329006 BRD-K67831364-003-04-1 ZM-323881 0 81.64 Tocris 2475 ZM 323881 hydrochloride 375.138 Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O NVBNDZZLJRYRPD-UHFFFAOYSA-N 16759369 BRD-K67831364-003-06-9 ZM-323881 0 91.71 Tocris 2475 ZM 323881 hydrochloride 375.138 Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O NVBNDZZLJRYRPD-UHFFFAOYSA-N 16759369 BRD-K67831364-003-05-8 ZM-323881 0 95.74 Tocris 2475 ZM 323881 hydrochloride 375.138 Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O NVBNDZZLJRYRPD-UHFFFAOYSA-N 16759369 BRD-K67831364-003-03-3 ZM-323881 0 93.36 Selleck S2896 ZM 323881 HCl 375.138 Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O NVBNDZZLJRYRPD-UHFFFAOYSA-N 16759369 BRD-K73789395-001-09-9 ZM-336372 0 76.38 Selleck S2720 ZM 336372 389.174 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 PYEFPDQFAZNXLI-UHFFFAOYSA-N 5730 BRD-K73789395-001-13-1 ZM-336372 0 92.91 Selleck S2720 ZM 336372 389.174 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 PYEFPDQFAZNXLI-UHFFFAOYSA-N 5730 BRD-K73789395-001-14-9 ZM-336372 0 89.4 Tocris 1321 ZM 336372 389.174 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 PYEFPDQFAZNXLI-UHFFFAOYSA-N 5730 BRD-K73789395-001-10-7 ZM-336372 0 92.9 Tocris 1321 ZM 336372 389.174 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 PYEFPDQFAZNXLI-UHFFFAOYSA-N 5730 BRD-K40624912-003-17-9 ZM-39923 0 93.58 Tocris 1367 ZM 39923 hydrochloride 331.194 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 JSASWRWALCMOQP-UHFFFAOYSA-N 3797 BRD-K40624912-003-15-5 ZM-39923 0 19.95 Tocris 1367 ZM 39923 hydrochloride 331.194 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 JSASWRWALCMOQP-UHFFFAOYSA-N 3797 BRD-K40624912-003-12-2 ZM-39923 0 4.74 Selleck S8004 ZM 39923 HCl 331.194 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 JSASWRWALCMOQP-UHFFFAOYSA-N 3797 BRD-K40624912-003-13-0 ZM-39923 0 56.8 Tocris 1367 ZM 39923 hydrochloride 331.194 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 JSASWRWALCMOQP-UHFFFAOYSA-N 3797 BRD-K40624912-003-14-8 ZM-39923 0 70.56 Selleck S8004 ZM 39923 HCl 331.194 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 JSASWRWALCMOQP-UHFFFAOYSA-N 3797 BRD-K72703948-001-10-1 ZM-447439 0 96.51 Tocris 2458 ZM 447439 513.238 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 OGNYUTNQZVRGMN-UHFFFAOYSA-N 9914412 BRD-K72703948-001-09-3 ZM-447439 0 93.96 Selleck S1103 ZM 447439 513.238 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 OGNYUTNQZVRGMN-UHFFFAOYSA-N 9914412 BRD-K72703948-001-12-7 ZM-447439 0 96.27 Tocris 2458 ZM 447439 513.238 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 OGNYUTNQZVRGMN-UHFFFAOYSA-N 9914412 BRD-K46654563-238-02-9 zofenopril-calcium 0 97.08 MedChemEx HY-B0655 Zofenopril (calcium) 429.107 C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 IAIDUHCBNLFXEF-MNEFBYGVSA-N 92400 BRD-K46654563-238-01-0 zofenopril-calcium 0 99.29 MedChemEx HY-B0655 Zofenopril (calcium) 429.107 C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 IAIDUHCBNLFXEF-MNEFBYGVSA-N 92400 BRD-M85357167-001-01-2 BRD-K08996725-332-07-9 zolantidine 0 98.14 Tocris 1070 Zolantidine dimaleate 381.187 C(CNc1nc2ccccc2s1)COc1cccc(CN2CCCCC2)c1 KUBONGDXTUOOLM-UHFFFAOYSA-N 91769 BRD-K08996725-332-01-7 zolantidine 0 90.72 Tocris 1070 Zolantidine dimaleate 381.187 C(CNc1nc2ccccc2s1)COc1cccc(CN2CCCCC2)c1 KUBONGDXTUOOLM-UHFFFAOYSA-N 91769 BRD-K84253429-001-06-9 zoledronic-acid 1 0 Tocris 6111 Zoledronic Acid 271.996 OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O XRASPMIURGNCCH-UHFFFAOYSA-N 68740 BRD-K84253429-001-04-4 zoledronic-acid 1 0 Selleck S1314 Zoledronic Acid (Zoledronate) 271.996 OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O XRASPMIURGNCCH-UHFFFAOYSA-N 68740 BRD-K84253429-001-03-6 zoledronic-acid 1 0 Selleck S1314 Zoledronic Acid 271.996 OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O XRASPMIURGNCCH-UHFFFAOYSA-N 68740 BRD-K00003264-001-01-9 zoliflodacin 0 99.28 MedChemEx HY-17647 Zoliflodacin 487.15 [H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1[C@@H](C)COC1=O ZSWMIFNWDQEXDT-ZESJGQACSA-N 76685216 BRD-K45125084-001-01-4 zolimidine 0 89.09 Enamine Z82177056 "2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine" 272.062 CS(=O)(=O)c1ccc(cc1)-c1cn2ccccc2n1 VSLIUWLPFRVCDL-UHFFFAOYSA-N 14652 BRD-K54314721-001-12-9 zolmitriptan 0 95.58 Tocris 4657 Zolmitriptan 287.163 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 60857 BRD-K54314721-001-11-0 zolmitriptan 0 93.99 Tocris 4657 Zolmitriptan 287.163 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 60857 BRD-K54314721-001-10-2 zolmitriptan 0 95.65 MicroSource 1505281 ZOLMITRIPTAN 287.163 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 60857 BRD-K54314721-001-09-4 zolmitriptan 0 91.68 Selleck S1649 Zolmitriptan 287.163 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 60857 BRD-K81326768-236-12-5 zomepirac 0 95.49 MedChemEx HY-B0890 Zomepirac (sodium salt) 291.066 Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 ZXVNMYWKKDOREA-UHFFFAOYSA-N 5733 BRD-K81326768-236-11-7 zomepirac 0 91.59 Sigma MFCD00057223 "sodium [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate" 291.066 Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 ZXVNMYWKKDOREA-UHFFFAOYSA-N 5733 BRD-K81326768-001-04-0 zomepirac 0 79.63 MicroSource 1500615 ZOMEPIRAC SODIUM 291.066 Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 ZXVNMYWKKDOREA-UHFFFAOYSA-N 5733 BRD-K14571191-001-01-6 zometapine 0 99.02 Sigma PH000288 "4-(3-chlorophenyl)-1,3-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-e][1,4]diazepine" 274.099 Cc1nn(C)c2NCCN=C(c12)c1cccc(Cl)c1 |c:9| YCWROMXNZZIJDQ-UHFFFAOYSA-N 135410917 BRD-K43992824-300-01-0 zoniporide 0 96.95 Tocris 2727 Zoniporide dihydrochloride 320.139 NC(N)=NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12 GDXBRVCQGGKXJY-UHFFFAOYSA-N 6433110 BRD-K43992824-300-02-9 zoniporide 0 97.75 Tocris 2727 Zoniporide dihydrochloride 320.139 NC(N)=NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12 GDXBRVCQGGKXJY-UHFFFAOYSA-N 6433110 BRD-K48300629-001-17-8 zonisamide 0 89.14 Tocris 2625 Zonisamide 212.026 NS(=O)(=O)Cc1noc2ccccc12 UBQNRHZMVUUOMG-UHFFFAOYSA-N 5734 BRD-K48300629-001-14-5 zonisamide 0 98.12 Tocris 2625 Zonisamide 212.026 NS(=O)(=O)Cc1noc2ccccc12 UBQNRHZMVUUOMG-UHFFFAOYSA-N 5734 BRD-K48300629-001-13-7 zonisamide 0 96.45 Selleck S1445 Zonisamide 212.026 NS(=O)(=O)Cc1noc2ccccc12 UBQNRHZMVUUOMG-UHFFFAOYSA-N 5734 BRD-K47710001-001-03-7 zopolrestat 0 99.72 Sigma MFCD00865476 "(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydro-1-phthalazinyl)acetic acid" 419.055 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 BCSVCWVQNOXFGL-UHFFFAOYSA-N 1613 BRD-K70557564-305-04-4 zosuquidar 0 92.34 Tocris 5456 Zosuquidar trihydrochloride 527.238 O[C@@H](COc1cccc2ncccc12)CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3ccccc13)C2(F)F IHOVFYSQUDPMCN-DBEBIPAYSA-N BRD-K70557564-305-03-6 zosuquidar 0 96.07 Selleck S1481 Zosuquidar (LY335979) 3HCl 527.238 O[C@@H](COc1cccc2ncccc12)CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3ccccc13)C2(F)F IHOVFYSQUDPMCN-DBEBIPAYSA-N BRD-K46843573-001-01-9 zotarolimus 0 87.25 Adooq A11950 965.573 "CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1cnnn1 |c:14,33,t:29,31|" CGTADGCBEXYWNE-GYKXXMIGSA-N BRD-K64557645-001-02-4 zotepine 0 97.88 Prestwick Prestw-1368 Zotepine 331.08 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6| HDOZVRUNCMBHFH-UHFFFAOYSA-N 5736 BRD-K64557645-001-03-9 zotepine 0 97.3 Tocris 3996 Zotepine 331.08 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6| HDOZVRUNCMBHFH-UHFFFAOYSA-N 5736 BRD-K66353228-001-15-9 zoxazolamine 0 97.71 MedChemEx HY-B1307 Zoxazolamine 168.009 Nc1nc2cc(Cl)ccc2o1 YGCODSQDUUUKIV-UHFFFAOYSA-N 6103 BRD-K66353228-001-14-6 zoxazolamine 0 98.37 MicroSource 1504216 ZOXAZOLAMINE 168.009 Nc1nc2cc(Cl)ccc2o1 YGCODSQDUUUKIV-UHFFFAOYSA-N 6103 BRD-K66353228-001-13-8 zoxazolamine 0 97.56 Selleck S4233 Zoxazolamine 168.009 Nc1nc2cc(Cl)ccc2o1 YGCODSQDUUUKIV-UHFFFAOYSA-N 6103 BRD-K35984734-001-02-9 ZSET1446 0 95.54 MedChemEx HY-11013 ZSET1446 236.095 "O=C1N=C2C=CC=CN2C11Cc2ccccc2C1 |c:4,6,t:2|" QZWYXEBIQWJXAR-UHFFFAOYSA-N 10220323 BRD-K63068307-001-10-9 ZSTK-474 0 96.15 MedChemEx HY-50847 ZSTK474 417.172 FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 HGVNLRPZOWWDKD-UHFFFAOYSA-N 11647372 BRD-K63068307-001-08-9 ZSTK-474 0 98.66 Selleck S1072 ZSTK474 417.172 FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 HGVNLRPZOWWDKD-UHFFFAOYSA-N 11647372 BRD-K28761384-001-10-9 zuclopenthixol 0 94.95 MedChemEx HY-A0163 Zuclopenthixol 400.138 OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1 WFPIAZLQTJBIFN-DVZOWYKESA-N 5311507 BRD-K28761384-300-01-0 zuclopenthixol 0 97.19 Prestwick Prestw-998 Zuclopenthixol dihydrochloride 400.138 OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1 WFPIAZLQTJBIFN-DVZOWYKESA-N 5311507 BRD-K00003448-001-01-9 zuranolone 0 92.59 MedChemEx HY-103040 Zuranolone 409.273 [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] HARRKNSQXBRBGZ-GVKWWOCJSA-N 86294073