| NFK | 表記: | N'-Formylkynurenine | 組成式: | C11 H12 N2 O4 | SMILES: | O=C(O)C(CC(c1ccccc1NC=O)=O)N | InChi: | InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1 | 別名: | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid | 定義日: | 2016-10-04 | 最終更新日: | 2023-11-03 | 公開日: | 2016-10-26 | 識別子(ID): | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
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| PIA | 表記: | [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | 組成式: | C14 H15 N3 O4 | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1 | 定義日: | 2001-06-22 | 最終更新日: | 2023-11-03 | 識別子(ID): | [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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| NU0 | 表記: | 2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide | 組成式: | C16 H12 Cl N3 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccncc21 | InChi: | InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-8-12-4-5-18-9-14(12)15/h1-6,8-10H,7H2,(H,20,21) | 定義日: | 2023-08-16 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide |
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| P3L | 表記: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C15 H17 Cl N2 O3 | SMILES: | O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/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-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| T69 | 表記: | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid | 組成式: | C19 H35 N O4 S | SMILES: | CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O | InChi: | InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1 | 定義日: | 2022-07-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-05-24 | 識別子(ID): | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid |
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| P3Q | 表記: | 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine | 組成式: | C21 H24 N2 O5 | SMILES: | N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O | InChi: | InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1 | 定義日: | 2009-11-19 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid |
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| XYX | 表記: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide | 組成式: | C24 H23 B N O5 | SMILES: | CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 | InChi: | InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1 | 定義日: | 2023-06-09 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide |
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| O9O | 表記: | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide | 組成式: | C23 H18 Cl N3 O3 | SMILES: | COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1 | InChi: | InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28) | 定義日: | 2023-08-17 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide |
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| O9X | 表記: | (2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide | 組成式: | C10 H12 F2 N2 O2 | SMILES: | O=C(Nc1cnccc1C)C(C)OC(F)F | InChi: | InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1 | 定義日: | 2023-08-17 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
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| XZC | 表記: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide | 組成式: | C23 H23 B N O5 | SMILES: | COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 | InChi: | InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1 | 定義日: | 2023-06-09 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide |
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| USC | 表記: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid | 組成式: | C9 H9 N O6 S | SMILES: | O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C | InChi: | InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) | 定義日: | 2011-12-08 | 最終更新日: | 2023-11-03 | 公開日: | 2013-01-11 | 識別子(ID): | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid |
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| 5OL | 表記: | N~6~-(1,1-dihydroxyethyl)-L-lysine | 組成式: | C8 H18 N2 O4 | SMILES: | C(CCCCNC(C)(O)O)(C(=O)O)N | InChi: | InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1 | 定義日: | 2015-10-29 | 最終更新日: | 2023-11-03 | 公開日: | 2016-07-27 | 識別子(ID): | N~6~-(1,1-dihydroxyethyl)-L-lysine |
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| 5OM | 表記: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid | 組成式: | C10 H19 N O5 | SMILES: | OC(CCCCCC(N)C(=O)O)(O)C1OC1 | InChi: | InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1 | 定義日: | 2015-10-29 | 最終更新日: | 2023-11-03 | 公開日: | 2016-07-27 | 識別子(ID): | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid |
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| RXU | 表記: | 2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | 組成式: | C24 H27 Cl N4 O2 | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3CCCCc32)C1 | InChi: | InChI=1S/C24H27ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h6-7,10-12H,2-5,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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| NUR | 表記: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide | 組成式: | C18 H15 Cl N2 O | SMILES: | Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21 | InChi: | InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3 | 定義日: | 2023-08-16 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide |
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| P4E | 表記: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid | 組成式: | C11 H13 N O2 | SMILES: | O=C(O)C(N)C/C=C/c1ccccc1 | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1 | 定義日: | 2011-10-13 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
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| 02V | 表記: | (2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid | 組成式: | C9 H11 N O4 | SMILES: | O=C(O)C(c1cc(O)c(O)cc1)NC | InChi: | InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1 | 定義日: | 2011-06-10 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid |
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| PJ6 | 表記: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C20 H17 Cl N2 O3 | SMILES: | Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/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): | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| 5OW | 表記: | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid | 組成式: | C17 H27 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O | InChi: | InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1 | 定義日: | 2015-10-30 | 最終更新日: | 2023-11-03 | 公開日: | 2016-11-09 | 識別子(ID): | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid |
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| TLX | 表記: | N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE | 組成式: | C13 H27 N3 | SMILES: | N21CCCC1N(CCC2)CC(N)CC(C)C | InChi: | InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine |
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| VNW | 表記: | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid | 組成式: | C11 H10 N2 O2 Se | SMILES: | C[Se]c1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | 定義日: | 2023-09-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-10-11 | 識別子(ID): | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid |
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| PJE | 表記: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid | 組成式: | C9 H14 N2 O3 | SMILES: | N[CH](C[CH]1CCNC1=O)C=CC(O)=O | InChi: | InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1 | 定義日: | 2015-11-24 | 最終更新日: | 2023-11-03 | 公開日: | 2015-12-02 | 識別子(ID): | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid |
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| OAO | 表記: | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide | 組成式: | C18 H17 Cl N4 O3 | SMILES: | Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1 | InChi: | InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24) | 定義日: | 2023-08-17 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
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| RYB | 表記: | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | 組成式: | C30 H32 Cl N5 O4 S | SMILES: | CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O | InChi: | InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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| PJJ | 表記: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid | 組成式: | C19 H23 N O3 | SMILES: | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 | 定義日: | 2010-08-20 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid |
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