 | | 72G | | Name: | 4-(3-formylphenyl)-benzenesulfonamide | | Formula: | C13 H11 N O3 S | | SMILES: | O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2 | | InChi: | InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17) | | Synonyms: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
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 | | 72H | | Name: | 4-(3-quinolinyl)-benzenesulfonamide | | Formula: | C15 H12 N2 O2 S | | SMILES: | c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19) | | Synonyms: | 4-(quinolin-3-yl)benzene-1-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 4-(quinolin-3-yl)benzene-1-sulfonamide |
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 | | HVG | | Name: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid | | Formula: | C10 H9 N O6 | | SMILES: | C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N | | InChi: | InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Definition date: | 2018-07-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-07 | | Identifier: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid |
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 | | HWD | | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H9 N3 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | | Synonyms: | WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | 74T | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl
{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p
henylbutan-2-yl}carbamate | | Formula: | C38 H53 N5 O7 S2 | | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7 | | InChi: | InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1 | | Synonyms: | TMC310911 | | Definition date: | 2011-03-22 | | Last modified: | 2020-06-17 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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 | | 74X | | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol
an-2-yl]methyl]thiourea | | Formula: | C18 H18 Cl F3 N4 O4 S | | SMILES: | FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | | InChi: | InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1 | | Synonyms: | (THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE | | Definition date: | 2012-10-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | 5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine |
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 | | B55 | | Name: | 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one | | Formula: | C5 H5 N5 O S | | SMILES: | O=C1c2nc(S)nc2N=C(N1)N | | InChi: | InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) | | Synonyms: | 2-amino-8-mercapto-1H-purin-6(9H)-one | | Definition date: | 2009-04-24 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one |
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 | | 75D | | Name: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid | | Formula: | C15 H24 O3 S | | SMILES: | O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18) | | Synonyms: | 2,4,6-triisopropylbenzenesulfonic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid |
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 | | 75U | | Name: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate | | Formula: | C22 H25 Br N2 O3 S | | SMILES: | c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br | | InChi: | InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 | | Synonyms: | Arbidol | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
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 | | B64 | | Name: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid | | Formula: | C14 H11 N O5 S2 | | SMILES: | O=C(OC)c1sc(cc1NC(=O)/C=CC(=O)O)c2sccc2 | | InChi: | InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4- | | Synonyms: | (2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid | | Definition date: | 2009-05-29 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid |
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 | | 766 | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide | | Formula: | C24 H21 F N2 O3 S | | SMILES: | N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O | | InChi: | InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide |
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 | | 76A | | Name: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE | | Formula: | C29 H27 N3 O3 | | SMILES: | O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6 | | InChi: | InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24- | | Synonyms: | 3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE | | Definition date: | 2007-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide |
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 | | 76D | | Name: | 2,4,6-tri(propan-2-yl)benzoic acid | | Formula: | C16 H24 O2 | | SMILES: | O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18) | | Synonyms: | 2,4,6-triisopropylbenzoic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzoic acid |
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 | | 76T | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide | | Formula: | C28 H23 F N4 O3 | | SMILES: | C(NCc3cc(CNc2cc1c(nnc1)cc2)ccc3)(c4c(c(O)cc(c4)c5ccc(cc5)F)O)=O | | InChi: | InChI=1S/C28H23FN4O3/c29-22-6-4-19(5-7-22)20-12-24(27(35)26(34)13-20)28(36)31-15-18-3-1-2-17(10-18)14-30-23-8-9-25-21(11-23)16-32-33-25/h1-13,16,30,34-35H,14-15H2,(H,31,36)(H,32,33) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-07 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide |
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 | | 772 | | Name: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | | Formula: | C10 H7 N2 O4 P | | SMILES: | O=P(O)(O)Oc1cccc2ccc(C#N)nc12 | | InChi: | InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15) | | Synonyms: | RU79072 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyanoquinolin-8-yl dihydrogen phosphate |
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 | | 787 | | Name: | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | | Formula: | C7 H10 O6 P2 | | SMILES: | O=P(O)(O)C(c1ccccc1)P(=O)(O)O | | InChi: | InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13) | | Synonyms: | RU78783 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (phenylmethanediyl)bis(phosphonic acid) |
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 | | B8F | | Name: | (5beta)-3-oxours-12-en-28-oic acid | | Formula: | C30 H46 O3 | | SMILES: | C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C | | InChi: | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1 | | Synonyms: | Ursonic acid | | Definition date: | 2019-01-22 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-15 | | Identifier: | (5beta)-3-oxours-12-en-28-oic acid |
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 | | 790 | | Name: | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | | Formula: | C9 H12 N O4 P | | SMILES: | O=P(O)(O)Oc1cccc2c1NCCC2 | | InChi: | InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13) | | Synonyms: | RU79073 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate |
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 | | 796 | | Name: | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | | Formula: | C19 H19 Cl2 N5 O S | | SMILES: | O=C(c2sc(c1nc(ncc1)NC)cc2)NC(Cc3ccc(Cl)cc3Cl)CN | | InChi: | InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | | Synonyms: | NOVARTIS 273796 | | Definition date: | 2006-05-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide |
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 | | 79V | | Name: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile | | Formula: | C17 H15 F N2 O | | SMILES: | C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O | | InChi: | InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1 | | Synonyms: | BRD4592 | | Definition date: | 2016-09-19 | | Last modified: | 2020-06-17 | | Release date: | 2017-05-31 | | Identifier: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile |
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 | | BAI | | Name: | (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE | | Formula: | C16 H14 N6 | | SMILES: | [N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N | | InChi: | InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | | Synonyms: | HEMI-BABIM | | Definition date: | 1999-08-02 | | Last modified: | 2020-06-17 | | Identifier: | 2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide |
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 | | BAT | | Name: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | | Formula: | C23 H31 N3 O4 S2 | | SMILES: | O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | | Synonyms: | BATIMASTAT | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide |
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 | | BAV | | Name: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-
dione | | Formula: | C29 H49 N3 O3 | | SMILES: | O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C | | InChi: | InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 | | Synonyms: | (3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione | | Definition date: | 2008-07-21 | | Last modified: | 2020-06-17 | | Identifier: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione |
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 | | BAX | | Name: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE | | Formula: | C21 H16 Cl F3 N4 O3 | | SMILES: | O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC | | InChi: | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | | Synonyms: | Sorafenib | | Definition date: | 2004-02-05 | | Last modified: | 2020-06-17 | | Identifier: | 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
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 | | 7AT | | Name: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C12 H15 N8 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n2nc(c1c(ncnc12)N)c3cnnn3)C(O)C4O | | InChi: | InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/t5-,8-,9-,12-/m1/s1 | | Synonyms: | 7-triazolyl-8-aza-7-deazaadenosine | | Definition date: | 2013-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-02 | | Identifier: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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