| LF4 | 表記: | N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide | 組成式: | C14 H16 F N3 O | SMILES: | n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O | InChi: | InChI=1S/C14H16FN3O/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide |
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| LFG | 表記: | N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine | 組成式: | C12 H19 N3 O | SMILES: | n2nc(NC1CCCCCC1)oc2C3CC3 | InChi: | InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine |
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| LFJ | 表記: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one | 組成式: | C15 H16 N2 O4 | SMILES: | N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3 | InChi: | InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3 | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one |
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| LFM | 表記: | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide | 組成式: | C14 H14 F N3 O2 | SMILES: | N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3 | InChi: | InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
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| LFP | 表記: | 5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide | 組成式: | C12 H11 Cl F N3 O | SMILES: | n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C | InChi: | InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
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| LFY | 表記: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide | 組成式: | C13 H14 F N3 O | SMILES: | n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC | InChi: | InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide |
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| LH7 | 表記: | 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide | 組成式: | C16 H18 F N3 O3 S | SMILES: | n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O | InChi: | InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1 | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide |
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| LHM | 表記: | N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide | 組成式: | C15 H16 F N3 O | SMILES: | N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3 | InChi: | InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide |
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| LHS | 表記: | N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide | 組成式: | C12 H12 F N3 O3 | SMILES: | n2c(C(NCc1ccc(F)cc1)=O)noc2COC | InChi: | InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide |
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| KR4 | 表記: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol | 組成式: | C19 H19 Cl N4 O | SMILES: | c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(cc3)CCO | InChi: | InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24) | 定義日: | 2019-01-08 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol |
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| KR7 | 表記: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid | 組成式: | C21 H15 Cl F3 N O2 | SMILES: | C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O | InChi: | InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28) | 定義日: | 2019-01-08 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid |
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| KRD | 表記: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide | 組成式: | C19 H18 Cl N5 O | SMILES: | Clc1cccc(c1)c2nc(nc(n2)Nc3ccc(cc3)CC(N)=O)CC | InChi: | InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25) | 定義日: | 2019-01-09 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide |
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| LJ7 | 表記: | N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide | 組成式: | C14 H16 F N3 O | SMILES: | n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C | InChi: | InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide |
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| LJA | 表記: | N-[3-(carbamoylamino)phenyl]acetamide | 組成式: | C9 H11 N3 O2 | SMILES: | N(C(C)=O)c1cccc(c1)NC(N)=O | InChi: | InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[3-(carbamoylamino)phenyl]acetamide |
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| LJD | 表記: | N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide | 組成式: | C12 H12 Cl N3 O | SMILES: | n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C | InChi: | InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
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| LJJ | 表記: | N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine | 組成式: | C10 H17 N3 O | SMILES: | n2nc(NC1CCCCCC1)oc2C | InChi: | InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine |
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| LJM | 表記: | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide | 組成式: | C13 H13 F N2 O S | SMILES: | n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC | InChi: | InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide |
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| KSY | 表記: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C17 H16 N2 O3 | SMILES: | c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O | InChi: | InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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| KT1 | 表記: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C18 H18 N2 O4 | SMILES: | c2cc1C(=O)NC(c1c(c2)NCCCc3c(OC)cc(cc3)O)=O | InChi: | InChI=1S/C18H18N2O4/c1-24-15-10-12(21)8-7-11(15)4-3-9-19-14-6-2-5-13-16(14)18(23)20-17(13)22/h2,5-8,10,19,21H,3-4,9H2,1H3,(H,20,22,23) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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| KT4 | 表記: | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C17 H16 N2 O4 | SMILES: | C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O | InChi: | InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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| KT7 | 表記: | 5-hydroxy-1H-isoindole-1,3(2H)-dione | 組成式: | C8 H5 N O3 | SMILES: | c1c(ccc2C(NC(c12)=O)=O)O | InChi: | InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 5-hydroxy-1H-isoindole-1,3(2H)-dione |
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| KTG | 表記: | 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C17 H16 N2 O3 | SMILES: | C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O | InChi: | InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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| KTM | 表記: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C15 H12 N2 O3 | SMILES: | c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O | InChi: | InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
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| KTV | 表記: | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione | 組成式: | C15 H12 N2 O3 | SMILES: | C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3 | InChi: | InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20) | 定義日: | 2019-01-13 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
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| M3D | 表記: | 7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide | 組成式: | C28 H25 N3 O4 | SMILES: | C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5 | InChi: | InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33) | 定義日: | 2019-03-20 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide |
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