 | | A1AAR | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C20 H24 N4 O3 | | SMILES: | CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1 | | InChi: | InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1 | | Definition date: | 2023-12-30 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | WU5 | | Name: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) | | Formula: | C25 H41 F O2 | | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | | InChi: | InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1 | | Definition date: | 2022-10-19 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) |
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 | | U45 | | Name: | 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide | | Formula: | C24 H20 N4 O3 | | SMILES: | NC(=O)C1=NN(C[CH](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15 | | InChi: | InChI=1S/C24H20N4O3/c25-23(30)22-18-9-1-2-10-19(18)24(31)28(26-22)14-15(29)13-27-20-11-5-3-7-16(20)17-8-4-6-12-21(17)27/h1-12,15,29H,13-14H2,(H2,25,30)/t15-/m1/s1 | | Definition date: | 2023-01-24 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide |
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 | | OL0 | | Name: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | Formula: | C36 H38 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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 | | R0N | | Name: | Roniciclib | | Formula: | C18 H21 F3 N4 O3 S | | SMILES: | c3(c(nc(Nc2ccc(S(C1CC1)(N)O)cc2)nc3)OC(C(O)C)C)C(F)(F)F | | InChi: | InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1 | | Synonyms: | BAY 1000394 | | Definition date: | 2016-02-25 | | Last modified: | 2022-10-18 | | Release date: | 2016-04-27 | | Identifier: | (2R,3R)-3-{[2-({4-[(R)-amino(cyclopropyl)hydroxy-lambda~4~-sulfanyl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy}butan-2-ol |
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 | | IWS | | Name: | (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one | | Formula: | C10 H7 N3 O | | SMILES: | O=C1Nc2ccccc2c2nccn21 | | InChi: | InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one |
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 | | HCU | | Name: | [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate | | Formula: | C10 H16 N5 O6 P | | SMILES: | NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1 | | InChi: | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1 | | Synonyms: | Penciclovir phosphate | | Definition date: | 2020-12-17 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | [(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate |
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 | | YJ1 | | Name: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide | | Formula: | C19 H26 N4 O2 | | SMILES: | NCCC(=O)NC1CCC(CC1)NC(=O)c1cc2cccc(C)c2[NH]1 | | InChi: | InChI=1S/C19H26N4O2/c1-12-3-2-4-13-11-16(23-18(12)13)19(25)22-15-7-5-14(6-8-15)21-17(24)9-10-20/h2-4,11,14-15,23H,5-10,20H2,1H3,(H,21,24)(H,22,25)/t14-,15- | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide |
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 | | GG0 | | Name: | 2-(2-azanylethanoylamino)ethanoic acid | | Formula: | C4 H8 N2 O3 | | SMILES: | NCC(=O)NCC(O)=O | | InChi: | InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | | Definition date: | 2020-08-07 | | Last modified: | 2021-07-23 | | Release date: | 2021-07-28 | | Identifier: | 2-(2-azanylethanoylamino)ethanoic acid |
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 | | XKD | | Name: | N-methyl-D-alaninamide | | Formula: | C4 H10 N2 O | | SMILES: | CNC(=O)C(C)N | | InChi: | InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2021-06-18 | | Release date: | 2021-06-23 | | Identifier: | N-methyl-D-alaninamide |
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 | | RQ2 | | Name: | Ganciclovir triphosphate | | Formula: | C9 H16 N5 O13 P3 | | SMILES: | NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1 | | InChi: | InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1 | | Synonyms: | [[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2020-10-15 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | [[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | PZK | | Name: | 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile | | Formula: | C15 H11 F N6 | | SMILES: | Nc1ncnc(c2cnn(Cc3cccc(F)c3)c2)c1C#N | | InChi: | InChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20) | | Definition date: | 2020-05-04 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
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 | | JOS | | Name: | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE | | Formula: | C42 H69 N O15 | | SMILES: | O=C(OC1C(O)(C)CC(OC1C)OC3C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C=CC=CCC(O)C(C)CC2CC=O)C)C(O)C3N(C)C)C)CC(C)C | | InChi: | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-15,18,23-27,29-31,34-41,46,49-50H,16-17,19-22H2,1-11H3/b14-12+,15-13-/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 | | Synonyms: | JOSAMYCIN | | Definition date: | 2006-12-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name) |
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 | | LQQ | | Name: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | | Formula: | C24 H29 N7 O2 | | SMILES: | O=C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5 | | InChi: | 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) | | Synonyms: | Palbociclib | | Definition date: | 2005-11-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one |
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 | | 1QK | | Name: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | | Formula: | C21 H29 N6 O2 | | SMILES: | n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4 | | InChi: | InChI=1S/C21H29N6O2/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/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1 | | Synonyms: | DINACICLIB | | Definition date: | 2013-04-26 | | Last modified: | 2021-03-01 | | Identifier: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium |
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 | | HNK | | Name: | 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol | | Formula: | C10 H14 N2 O | | SMILES: | n1cc(ccc1O)C2N(C)CCC2 | | InChi: | InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1 | | Synonyms: | 6-hydroxy-D-nicotine | | Definition date: | 2010-06-17 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol |
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 | | HNL | | Name: | 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol | | Formula: | C10 H14 N2 O | | SMILES: | n1cc(ccc1O)C2N(C)CCC2 | | InChi: | InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1 | | Synonyms: | 6-hydroxy-L-nicotine | | Definition date: | 2009-10-14 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol |
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 | | P5N | | Name: | 1-(4-methylphenyl)imidazole | | Formula: | C10 H8 N2 O | | SMILES: | O=Cc1ccc(cc1)n2ccnc2 | | InChi: | InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H | | Definition date: | 2020-04-15 | | Last modified: | 2021-02-23 | | Release date: | 2020-09-23 | | Identifier: | 4-imidazol-1-ylbenzaldehyde |
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 | | RV2 | | Name: | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | | Formula: | C19 H13 Cl N2 O5 | | SMILES: | OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3 | | InChi: | InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26) | | Synonyms: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid | | Definition date: | 2020-10-21 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid |
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 | | FZ0 | | Name: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide | | Formula: | C9 H9 F3 N2 O2 | | SMILES: | NCC(=O)Nc1cccc(OC(F)(F)F)c1 | | InChi: | InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15) | | Definition date: | 2020-07-08 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 2-azanyl-~{N}-[3-(trifluoromethyloxy)phenyl]ethanamide |
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 | | BWG | | Name: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine | | Formula: | C11 H16 N2 O6 S | | SMILES: | O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C | | InChi: | InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1 | | Synonyms: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine | | Definition date: | 2013-01-28 | | Last modified: | 2020-07-17 | | Release date: | 2013-07-10 | | Identifier: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine |
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 | | RDC | | Name: | RADICICOL | | Formula: | C18 H17 Cl O6 | | SMILES: | O=C2C=CC=CC3OC3CC(OC(=O)c1c(O)cc(O)c(Cl)c1C2)C | | InChi: | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | | Synonyms: | MONORDEN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione |
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 | | 8GC | | Name: | 3-carbamoyl-1-methylpyridin-1-ium | | Formula: | C7 H9 N2 O | | SMILES: | C(N)(=O)c1ccc[n+](C)c1 | | InChi: | InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 | | Synonyms: | 1-methylnicotinamide | | Definition date: | 2017-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-02 | | Identifier: | 3-carbamoyl-1-methylpyridin-1-ium |
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 | | 4OX | | Name: | 4-OXODECANEDIOIC ACID | | Formula: | C10 H16 O5 | | SMILES: | O=C(O)CCC(=O)CCCCCC(=O)O | | InChi: | InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) | | Synonyms: | 4-OXOSEBACIC ACID | | Definition date: | 2001-08-01 | | Last modified: | 2020-06-17 | | Identifier: | 4-oxodecanedioic acid |
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 | | 6MK | | Name: | (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid | | Formula: | C17 H15 N3 O4 | | SMILES: | O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)C=CC(=O)O | | InChi: | InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+ | | Synonyms: | SHF-3 | | Definition date: | 2014-04-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-01 | | Identifier: | (2E)-4-{2-[(4-benzylpyridin-3-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoic acid |
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