| VKF | 表記: | 4-(difluoromethyl)benzoic acid | 組成式: | C8 H6 F2 O2 | SMILES: | FC(F)c1ccc(cc1)C(=O)O | InChi: | InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12) | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 4-(difluoromethyl)benzoic acid |
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| V4C | 表記: | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide | 組成式: | C11 H19 N3 O2 S | SMILES: | O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1 | InChi: | InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide |
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| VZQ | 表記: | 4-[(acetyloxy)methyl]benzoic acid | 組成式: | C10 H10 O4 | SMILES: | O=C(O)c1ccc(COC(C)=O)cc1 | InChi: | InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 4-[(acetyloxy)methyl]benzoic acid |
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| VZU | 表記: | ethyl (4-aminophenyl)methylcarbamate | 組成式: | C10 H14 N2 O2 | SMILES: | Nc1ccc(cc1)N(C)C(=O)OCC | InChi: | InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | ethyl (4-aminophenyl)methylcarbamate |
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| V4L | 表記: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide | 組成式: | C14 H22 N2 O | SMILES: | NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 | InChi: | InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17) | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide |
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| VKO | 表記: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid | 組成式: | C13 H15 N O3 | SMILES: | O=C(O)C1(CC1)C(=O)NCc1ccccc1C | InChi: | InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17) | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
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| W00 | 表記: | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide | 組成式: | C10 H11 F N2 O2 S | SMILES: | O=C(Nc1ccc(F)cc1)CSCC(N)=O | InChi: | InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide |
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| VKX | 表記: | (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one | 組成式: | C13 H16 N2 O | SMILES: | O=C1CCC2(NCCCN12)c1ccccc1 | InChi: | InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2/t13-/m0/s1 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one |
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| V4X | 表記: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile | 組成式: | C7 H10 N2 O S | SMILES: | O=C(CC#N)N1CCSCC1 | InChi: | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
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| W0C | 表記: | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea | 組成式: | C11 H17 N3 O | SMILES: | O=C(Nc1cccnc1)NC(CC)CC | InChi: | InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea |
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| VL8 | 表記: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide | 組成式: | C11 H13 Cl2 N O2 | SMILES: | Clc1ccc(OC(CC)C(=O)NC)cc1Cl | InChi: | InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide |
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| W0N | 表記: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide | 組成式: | C10 H17 N3 O | SMILES: | O=C(NC(C)(C)CCC)c1cc[NH]n1 | InChi: | InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide |
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| V5C | 表記: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide | 組成式: | C11 H13 N3 O S | SMILES: | Cc1nc(/C=C/C(=O)N(C)CCC#N)cs1 | InChi: | InChI=1S/C11H13N3OS/c1-9-13-10(8-16-9)4-5-11(15)14(2)7-3-6-12/h4-5,8H,3,7H2,1-2H3/b5-4+ | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide |
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| W0R | 表記: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide | 組成式: | C12 H18 N2 O S | SMILES: | O=C(Nc1cccnc1)CCSCC(C)C | InChi: | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
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| VLI | 表記: | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one | 組成式: | C10 H8 F3 N O2 | SMILES: | FC(F)(F)C1(O)c2ccc(C)cc2NC1=O | InChi: | InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one |
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| V5I | 表記: | 2-methyl-1-(2-methylphenyl)propan-2-amine | 組成式: | C11 H17 N | SMILES: | NC(C)(C)Cc1ccccc1C | InChi: | InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 2-methyl-1-(2-methylphenyl)propan-2-amine |
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| V5O | 表記: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid | 組成式: | C13 H13 N O3 | SMILES: | O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O | InChi: | InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+ | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
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| W18 | 表記: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide | 組成式: | C11 H16 N2 O2 | SMILES: | O=C(NC(CC)CO)c1ccc(N)cc1 | InChi: | InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide |
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| W1E | 表記: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate | 組成式: | C10 H16 O4 S | SMILES: | O=S1(=O)C=CC(CC(=O)OCC(C)C)C1 | InChi: | InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate |
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| W1I | 表記: | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide | 組成式: | C8 H11 Br N2 O2 S | SMILES: | Brc1ccccc1NS(=O)(=O)N(C)C | InChi: | InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide |
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| W1N | 表記: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid | 組成式: | C10 H12 F N O2 | SMILES: | Fc1ccccc1CC(N)CC(=O)O | InChi: | InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid |
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| W25 | 表記: | (2R)-(3,4-difluorophenyl)(hydroxy)acetic acid | 組成式: | C8 H6 F2 O3 | SMILES: | Fc1ccc(cc1F)C(O)C(=O)O | InChi: | InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m1/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2R)-(3,4-difluorophenyl)(hydroxy)acetic acid |
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| V6I | 表記: | N-(2-fluorophenyl)methanesulfonamide | 組成式: | C7 H8 F N O2 S | SMILES: | O=S(C)(=O)Nc1ccccc1F | InChi: | InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-(2-fluorophenyl)methanesulfonamide |
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| W2B | 表記: | N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide | 組成式: | C11 H17 N3 O | SMILES: | O=C(NC1CCCCC1)Cn1cccn1 | InChi: | InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide |
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| V6R | 表記: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide | 組成式: | C12 H17 F N2 O | SMILES: | Fc1ccccc1CN(C)C(=O)C(N)CC | InChi: | InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
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