| WFO | 表記: | (2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid | 組成式: | C17 H16 N2 O3 S | SMILES: | O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1 | InChi: | InChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m1/s1 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid |
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| V4R | 表記: | 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid | 組成式: | C15 H20 O2 | SMILES: | O=C(O)c1cc2c(CCCCC2(C)C)cc1C | InChi: | InChI=1S/C15H20O2/c1-10-8-11-6-4-5-7-15(2,3)13(11)9-12(10)14(16)17/h8-9H,4-7H2,1-3H3,(H,16,17) | 定義日: | 2023-05-09 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid |
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| WFX | 表記: | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid | 組成式: | C20 H19 F2 N3 O5 S | SMILES: | O=C(O)C=1COCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1 | InChi: | InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)10-4-6-29-8-12(10)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid |
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| YRQ | 表記: | [(2S)-1-hydroxypropan-2-yl]phosphonic acid | 組成式: | C3 H9 O4 P | SMILES: | CC(CO)P(=O)(O)O | InChi: | InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1 | 定義日: | 2023-02-17 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | [(2S)-1-hydroxypropan-2-yl]phosphonic acid |
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| WG3 | 表記: | 2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | 組成式: | C18 H17 N3 O4 | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1 | InChi: | InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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| WXZ | 表記: | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid | 組成式: | C17 H15 Cl O2 | SMILES: | Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O | InChi: | InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1 | 定義日: | 2023-05-23 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
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| YS8 | 表記: | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid | 組成式: | C4 H11 O4 P | SMILES: | CC(C)C(O)P(=O)(O)O | InChi: | InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1 | 定義日: | 2023-02-17 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid |
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| WGL | 表記: | 1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione | 組成式: | C12 H18 N2 O2 S | SMILES: | CCSC1=NC(=O)CC(=O)N1C1CCCCC1 | InChi: | InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione |
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| WGQ | 表記: | (5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | 組成式: | C11 H10 Cl N3 S | SMILES: | Clc1cccc(c1)C1=NNC(=S)N1CC=C | InChi: | InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
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| WGW | 表記: | N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide | 組成式: | C12 H9 Cl2 N3 O3 | SMILES: | O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1 | InChi: | InChI=1S/C12H9Cl2N3O3/c13-6-1-2-9(8(14)3-6)16-10(18)4-7-5-11(19)17-12(20)15-7/h1-3H,4-5H2,(H,16,18)(H,17,19,20) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide |
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| WYO | 表記: | (1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid | 組成式: | C14 H16 Cl2 O3 | SMILES: | O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m0/s1 | 定義日: | 2023-05-23 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid |
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| VLQ | 表記: | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid | 組成式: | C19 H16 Cl N O2 | SMILES: | O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1 | InChi: | InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | 定義日: | 2023-05-09 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid |
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| XV5 | 表記: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one | 組成式: | C15 H10 O5 | SMILES: | Oc1cc(/C=C2Oc3ccccc3C2=O)c(O)cc1O | InChi: | InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H | 定義日: | 2022-12-13 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one |
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| WH3 | 表記: | (3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid | 組成式: | C17 H17 N O4 | SMILES: | O=C(O)C1C2C(=O)N(CC32C=CC1O3)CCc1ccccc1 | InChi: | InChI=1S/C17H17NO4/c19-15-14-13(16(20)21)12-6-8-17(14,22-12)10-18(15)9-7-11-4-2-1-3-5-11/h1-6,8,12-14H,7,9-10H2,(H,20,21)/t12-,13-,14+,17-/m0/s1 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
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| WHB | 表記: | (1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | 組成式: | C12 H13 N O3 S | SMILES: | O=C(Cc1ccsc1)N1CC2CC2C1C(=O)O | InChi: | InChI=1S/C12H13NO3S/c14-10(3-7-1-2-17-6-7)13-5-8-4-9(8)11(13)12(15)16/h1-2,6,8-9,11H,3-5H2,(H,15,16)/t8-,9+,11-/m1/s1 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
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| VM3 | 表記: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline | 組成式: | C20 H15 Cl N2 | SMILES: | Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35 | InChi: | InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2 | 定義日: | 2023-03-20 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline |
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| WZ8 | 表記: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine | 組成式: | C23 H28 N8 O | SMILES: | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12 | InChi: | InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1 | 定義日: | 2023-05-24 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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| WHI | 表記: | 6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one | 組成式: | C12 H11 Cl N2 O S2 | SMILES: | S=C1NC(CSCc2ccc(Cl)cc2)=CC(=O)N1 | InChi: | InChI=1S/C12H11ClN2OS2/c13-9-3-1-8(2-4-9)6-18-7-10-5-11(16)15-12(17)14-10/h1-5H,6-7H2,(H2,14,15,16,17) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
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| VM8 | 表記: | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline | 組成式: | C21 H20 N2 | SMILES: | CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24 | InChi: | InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3 | 定義日: | 2023-03-20 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline |
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| P5Z | 表記: | 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid | 組成式: | C17 H11 Cl2 N O3 | SMILES: | Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O | InChi: | InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22) | 定義日: | 2023-05-05 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid |
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| WHN | 表記: | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one | 組成式: | C17 H14 O3 | SMILES: | OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1 | InChi: | InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one |
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| US0 | 表記: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide | 組成式: | C16 H17 F2 N5 O2 | SMILES: | Fc1cc(F)cc(c1)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3 | InChi: | InChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24) | 定義日: | 2023-02-09 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide |
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| WHR | 表記: | 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid | 組成式: | C18 H13 Cl2 N O2 | SMILES: | Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O | InChi: | InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23) | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid |
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| WHZ | 表記: | (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid | 組成式: | C14 H15 Cl2 N O3 | SMILES: | O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1 | 定義日: | 2023-05-12 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid |
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| VMN | 表記: | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one | 組成式: | C12 H10 Cl N O2 | SMILES: | Clc1ccc(cc1)CN1C=CC(O)=CC1=O | InChi: | InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-14-6-5-11(15)7-12(14)16/h1-7,15H,8H2 | 定義日: | 2023-05-09 | 最終更新日: | 2023-06-09 | 公開日: | 2023-06-14 | 識別子(ID): | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one |
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