 | | 91I | | 表記: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide | | 組成式: | C25 H34 N4 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1 | | InChi: | InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1 | | 定義日: | 2021-10-04 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 91Z | | 表記: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | 組成式: | C24 H30 F3 N5 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F | | InChi: | InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1 | | 定義日: | 2021-10-04 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | NUN | | 表記: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one | | 組成式: | C18 H18 N2 O S | | SMILES: | CC(C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1 | | InChi: | InChI=1S/C18H18N2OS/c1-18(2,3)15(21)11-22-17-19-10-13-9-8-12-6-4-5-7-14(12)16(13)20-17/h4-10H,11H2,1-3H3 | | 定義日: | 2022-04-08 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
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 | | NUU | | 表記: | 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one | | 組成式: | C17 H19 N3 O S | | SMILES: | CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1 | | InChi: | InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3 | | 定義日: | 2022-04-08 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one |
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 | | NV3 | | 表記: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one | | 組成式: | C18 H17 Cl N2 O S | | SMILES: | CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn1 | | InChi: | InChI=1S/C18H17ClN2OS/c1-18(2,3)15(22)10-23-17-20-9-12-5-4-11-6-7-13(19)8-14(11)16(12)21-17/h4-9H,10H2,1-3H3 | | 定義日: | 2022-04-11 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
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 | | NVF | | 表記: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one | | 組成式: | C16 H18 N2 O S2 | | SMILES: | CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1 | | InChi: | InChI=1S/C16H18N2OS2/c1-16(2,3)13(19)9-21-15-17-8-10-4-5-12-11(6-7-20-12)14(10)18-15/h6-8H,4-5,9H2,1-3H3 | | 定義日: | 2022-04-11 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one |
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 | | CW8 | | 表記: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile | | 組成式: | C13 H20 F N3 O | | SMILES: | FC1CC(C#N)N(C1)C(=O)C(N)C1CCCCC1 | | InChi: | InChI=1S/C13H20FN3O/c14-10-6-11(7-15)17(8-10)13(18)12(16)9-4-2-1-3-5-9/h9-12H,1-6,8,16H2/t10-,11-,12-/m0/s1 | | 定義日: | 2021-11-23 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile |
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 | | D06 | | 表記: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one | | 組成式: | C20 H29 N3 O | | SMILES: | O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1 | | InChi: | InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1 | | 定義日: | 2021-11-23 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one |
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 | | E4C | | 表記: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | | 組成式: | C22 H30 N6 O | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1 | | InChi: | InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26) | | 定義日: | 2021-12-02 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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 | | E5B | | 表記: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | 組成式: | C21 H28 N6 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1 | | InChi: | InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25) | | 定義日: | 2021-12-02 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | E66 | | 表記: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine | | 組成式: | C23 H33 N7 O | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 | | InChi: | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) | | 定義日: | 2021-12-02 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
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 | | WFW | | 表記: | benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate | | 組成式: | C24 H26 N8 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C)(C)C1=NC(=O)C(O)=C(N1)C(=O)NCCn1ccc2c(N)ncnc21 | | InChi: | InChI=1S/C24H26N8O5/c1-24(2,31-23(36)37-12-14-6-4-3-5-7-14)22-29-16(17(33)21(35)30-22)20(34)26-9-11-32-10-8-15-18(25)27-13-28-19(15)32/h3-8,10,13,33H,9,11-12H2,1-2H3,(H,26,34)(H,31,36)(H2,25,27,28)(H,29,30,35) | | 定義日: | 2022-09-07 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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 | | WIU | | 表記: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate | | 組成式: | C24 H32 N10 O2 | | SMILES: | CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)NCCN)c1ccccc1 | | InChi: | InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1 | | 定義日: | 2022-09-13 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate |
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 | | UX2 | | 表記: | 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine | | 組成式: | C13 H8 Cl N5 O | | SMILES: | Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4 | | InChi: | InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | | 定義日: | 2021-03-25 | | 最終更新日: | 2022-09-30 | | 公開日: | 2022-10-05 | | 識別子（ID）: | 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine |
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 | | 1IX | | 表記: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol | | 組成式: | C24 H21 Cl F N5 O3 | | SMILES: | COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5 | | InChi: | InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1 | | 別名: | Nedisertib | | 定義日: | 2021-06-11 | | 最終更新日: | 2022-09-28 | | 公開日: | 2022-01-12 | | 識別子（ID）: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol |
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 | | R28 | | 表記: | propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 組成式: | C32 H41 N7 O4 | | SMILES: | CCC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | | InChi: | InChI=1S/C32H41N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h10-13,16-20H,9,14-15H2,1-8H3,(H,34,40)(H,33,35,36) | | 別名: | Mobocertinib, bound form | | 定義日: | 2020-08-26 | | 最終更新日: | 2022-09-28 | | 公開日: | 2022-02-23 | | 識別子（ID）: | propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate |
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 | | R2E | | 表記: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one | | 組成式: | C23 H23 Cl2 F N4 O3 | | SMILES: | CCC(=O)N1CCC(CC1)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC | | InChi: | InChI=1S/C23H23Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28,29) | | 別名: | Poziotinib, bound form | | 定義日: | 2020-08-26 | | 最終更新日: | 2022-09-28 | | 公開日: | 2022-02-23 | | 識別子（ID）: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one |
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 | | 72Q | | 表記: | 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile | | 組成式: | C17 H12 F3 N O4 S | | SMILES: | N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O | | InChi: | InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1 | | 別名: | Belzutifan | | 定義日: | 2016-08-17 | | 最終更新日: | 2022-09-28 | | 公開日: | 2016-08-31 | | 識別子（ID）: | 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile |
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 | | 7LD | | 表記: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide | | 組成式: | C20 H25 N3 O | | SMILES: | n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C | | InChi: | InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | | 別名: | Lysergic acid diethylamide | | 定義日: | 2016-11-10 | | 最終更新日: | 2022-09-27 | | 公開日: | 2017-02-01 | | 識別子（ID）: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide |
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 | | IMH | | 表記: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL | | 組成式: | C11 H14 N4 O4 | | SMILES: | OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O | | InChi: | InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 | | 別名: | Forodesine | | 定義日: | 1999-07-08 | | 最終更新日: | 2022-09-26 | | 識別子（ID）: | 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | G1U | | 表記: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | | 組成式: | C18 H26 N4 O S | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2 | | InChi: | InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3 | | 定義日: | 2022-01-26 | | 最終更新日: | 2022-09-23 | | 公開日: | 2022-09-28 | | 識別子（ID）: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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 | | G2U | | 表記: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione | | 組成式: | C15 H16 N4 O3 S | | SMILES: | CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2 | | InChi: | InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22) | | 定義日: | 2022-01-26 | | 最終更新日: | 2022-09-23 | | 公開日: | 2022-09-28 | | 識別子（ID）: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione |
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 | | YX7 | | 表記: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid | | 組成式: | C9 H19 B N2 O4 | | SMILES: | O=C(NC(CC(N)=O)B(O)O)CCCCC | | InChi: | InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1 | | 定義日: | 2021-04-05 | | 最終更新日: | 2022-09-23 | | 公開日: | 2022-09-28 | | 識別子（ID）: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid |
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 | | Z9A | | 表記: | methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate | | 組成式: | C18 H24 Br N3 O5 | | SMILES: | Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1 | | InChi: | InChI=1S/C18H24BrN3O5/c1-11(18(26)27-2)21-17(25)14(10-15(20)23)22-16(24)5-3-4-12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t11-,14+/m0/s1 | | 定義日: | 2021-04-13 | | 最終更新日: | 2022-09-23 | | 公開日: | 2022-09-28 | | 識別子（ID）: | methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate |
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 | | Z9G | | 表記: | N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine | | 組成式: | C14 H17 Br N2 O4 | | SMILES: | Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)cc1 | | InChi: | InChI=1S/C14H17BrN2O4/c15-10-6-4-9(5-7-10)2-1-3-13(19)17-11(14(20)21)8-12(16)18/h4-7,11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)/t11-/m1/s1 | | 定義日: | 2021-04-13 | | 最終更新日: | 2022-09-23 | | 公開日: | 2022-09-28 | | 識別子（ID）: | N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine |
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