 | | PYA | | 表記: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | | 組成式: | C15 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
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 | | PZ6 | | 表記: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | 組成式: | C20 H18 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | Q0I | | 表記: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | 組成式: | C22 H19 Cl N2 O3 | | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | Q1C | | 表記: | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide | | 組成式: | C14 H21 N3 O | | SMILES: | O=C(CN1CCC(C)CC1)Nc1cnccc1C | | InChi: | InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | Q1U | | 表記: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide | | 組成式: | C18 H15 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC | | InChi: | InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide |
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 | | Q2G | | 表記: | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea | | 組成式: | C13 H12 Cl N3 O | | SMILES: | O=C(Nc1cnccc1C)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea |
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 | | Q2K | | 表記: | 2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid | | 組成式: | C9 H11 N3 O4 S | | SMILES: | CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5- | | 別名: | CHROMOPHORE (MET-TYR-GLY) | | 定義日: | 2022-10-11 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-02-15 | | 識別子（ID）: | 2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid |
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 | | Q2U | | 表記: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | | 組成式: | C19 H18 N2 O4 | | SMILES: | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21 | | InChi: | InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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 | | Q36 | | 表記: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide | | 組成式: | C16 H15 N3 O | | SMILES: | O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1 | | InChi: | InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | BAL | | 表記: | BETA-ALANINE | | 組成式: | C3 H7 N O2 | | SMILES: | O=C(O)CCN | | InChi: | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | beta-alanine |
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 | | Q3S | | 表記: | (2R,3S)-2,3-diaminobutanoic acid | | 組成式: | C4 H10 N2 O2 | | SMILES: | NC(C(O)=O)C(C)N | | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1 | | 定義日: | 2019-09-16 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-11-27 | | 識別子（ID）: | (2R,3S)-2,3-diaminobutanoic acid |
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 | | Q3U | | 表記: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea | | 組成式: | C12 H11 Cl N4 O | | SMILES: | O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea |
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 | | BB6 | | 表記: | (2Z)-2-amino-3-sulfanylbut-2-enoic acid | | 組成式: | C4 H7 N O2 S | | SMILES: | O=C(O)/C(N)=C(/S)C | | InChi: | InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2- | | 定義日: | 2009-01-15 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2Z)-2-amino-3-sulfanylbut-2-enoic acid |
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 | | BB8 | | 表記: | (2S,3S)-BETA-HYDROXY-PHENYLALANINE | | 組成式: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1 | | 別名: | BETA-HYDROXY-PHENYLALANINE | | 定義日: | 2009-01-15 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (betaS)-beta-hydroxy-L-phenylalanine |
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 | | BB9 | | 表記: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid | | 組成式: | C3 H5 N O2 S | | SMILES: | O=C(O)/C(N)=C/S | | InChi: | InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1- | | 定義日: | 2009-01-15 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid |
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 | | BBC | | 表記: | 3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL | | 組成式: | C7 H16 N2 O2 S | | SMILES: | O=S(CC(=[N@H])CO)CCCCN | | InChi: | InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1 | | 定義日: | 2005-05-18 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol |
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 | | Q4R | | 表記: | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide | | 組成式: | C18 H18 N4 O3 S | | SMILES: | O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21 | | InChi: | InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide |
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 | | Q5C | | 表記: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide | | 組成式: | C15 H16 N4 O2 | | SMILES: | O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1 | | InChi: | InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide |
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 | | Q5K | | 表記: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide | | 組成式: | C19 H16 F N3 O4 S | | SMILES: | OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1 | | InChi: | InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide |
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 | | Q5R | | 表記: | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one | | 組成式: | C20 H19 N3 O2 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1 | | InChi: | InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one |
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 | | BCS | | 表記: | BENZYLCYSTEINE | | 組成式: | C10 H13 N O2 S | | SMILES: | O=C(O)C(N)CSCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | S-benzyl-L-cysteine |
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 | | Q60 | | 表記: | N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea | | 組成式: | C19 H22 N6 O | | SMILES: | Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1 | | InChi: | InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea |
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 | | Q69 | | 表記: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide | | 組成式: | C10 H12 Cl N O2 | | SMILES: | Clc1cc(ccc1)C(NC(C)=O)CO | | InChi: | InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide |
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 | | Q75 | | 表記: | 3-(1,3-Thiazol-5-yl)-L-alanine | | 組成式: | C6 H8 N2 O2 S | | SMILES: | N[CH](Cc1scnc1)C(O)=O | | InChi: | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 | | 別名: | (2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid | | 定義日: | 2020-05-26 | | 最終更新日: | 2023-11-03 | | 公開日: | 2021-04-28 | | 識別子（ID）: | (2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid |
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 | | BE2 | | 表記: | 2-AMINOBENZOIC ACID | | 組成式: | C7 H7 N O2 | | SMILES: | O=C(O)c1ccccc1N | | InChi: | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 2-aminobenzoic acid |
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