| 6OW | 表記: | 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine | 組成式: | C12 H12 N4 | SMILES: | c2(nc1cc(C)ccn1c2c3ccnn3)C | InChi: | InChI=1S/C12H12N4/c1-8-4-6-16-11(7-8)14-9(2)12(16)10-3-5-13-15-10/h3-7H,1-2H3,(H,13,15) | 定義日: | 2016-05-17 | 最終更新日: | 2016-09-02 | 公開日: | 2016-09-07 | 識別子(ID): | 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine |
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| 6P4 | 表記: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine | 組成式: | C12 H12 N4 | SMILES: | c1cnnc1c3n2cc(ccc2nc3C)C | InChi: | InChI=1S/C12H12N4/c1-8-3-4-11-14-9(2)12(16(11)7-8)10-5-6-13-15-10/h3-7H,1-2H3,(H,13,15) | 定義日: | 2016-05-17 | 最終更新日: | 2016-09-02 | 公開日: | 2016-09-07 | 識別子(ID): | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine |
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| G43 | 表記: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate | 組成式: | C29 H39 Cl N2 O9 S | SMILES: | COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(OC)c(Cl)c2)NC(=O)O[CH]3CO[CH]4OCC[CH]34 | InChi: | InChI=1S/C29H39ClN2O9S/c1-18(2)15-32(42(35,36)21-8-6-20(37-3)7-9-21)16-25(33)24(14-19-5-10-26(38-4)23(30)13-19)31-29(34)41-27-17-40-28-22(27)11-12-39-28/h5-10,13,18,22,24-25,27-28,33H,11-12,14-17H2,1-4H3,(H,31,34)/t22-,24-,25+,27-,28+/m0/s1 | 定義日: | 2016-06-03 | 最終更新日: | 2016-08-24 | 公開日: | 2016-08-31 | 識別子(ID): | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate |
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| 9RU | 表記: | [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | 組成式: | C31 H41 Cl2 N5 O2 Ru S | SMILES: | Cc1cc(C)c(N2CC[N+](=C2[Ru](Cl)Cl)c3c(C)cc(CNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)cc3C)c(C)c1 | InChi: | InChI=1S/C31H41N5O2S.2ClH.Ru/c1-19-12-20(2)29(21(3)13-19)35-10-11-36(18-35)30-22(4)14-24(15-23(30)5)16-32-27(37)9-7-6-8-26-28-25(17-39-26)33-31(38)34-28 | 定義日: | 2015-12-02 | 最終更新日: | 2016-08-24 | 公開日: | 2016-08-31 | 識別子(ID): | [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium |
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| 58V | 表記: | (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | 組成式: | C23 H22 Cl N7 O2 | SMILES: | c1cc(cc(c1C(N2CCOCC2)=O)Cl)Nc6c3n(c(cn3)c4cnnc4)cc(C5CC5)n6 | InChi: | InChI=1S/C23H22ClN7O2/c24-18-9-16(3-4-17(18)23(32)30-5-7-33-8-6-30)28-21-22-25-12-20(15-10-26-27-11-15)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29) | 定義日: | 2015-08-26 | 最終更新日: | 2016-08-18 | 公開日: | 2016-08-23 | 識別子(ID): | (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone |
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| 6RC | 表記: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine | 組成式: | C26 H27 N7 O3 | SMILES: | COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24 | InChi: | InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3 | 定義日: | 2016-06-01 | 最終更新日: | 2016-08-18 | 公開日: | 2016-08-23 | 識別子(ID): | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine |
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| 6X9 | 表記: | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 組成式: | C11 H12 N4 O | SMILES: | CCC1=C(C)Nc2n(nc(C)c2C#N)C1=O | InChi: | InChI=1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h13H,4H2,1-3H3 | 定義日: | 2016-07-12 | 最終更新日: | 2016-08-12 | 公開日: | 2016-08-17 | 識別子(ID): | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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| 6YE | 表記: | ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide | 組成式: | C16 H19 N9 O2 | SMILES: | Cn1cc(NC(=O)c2cnn3ccc(nc23)N4CCNCC4)c(n1)C(N)=O | InChi: | InChI=1S/C16H19N9O2/c1-23-9-11(13(22-23)14(17)26)20-16(27)10-8-19-25-5-2-12(21-15(10)25)24-6-3-18-4-7-24/h2,5,8-9,18H,3-4,6-7H2,1H3,(H2,17,26)(H,20,27) | 定義日: | 2016-07-26 | 最終更新日: | 2016-08-12 | 公開日: | 2016-08-17 | 識別子(ID): | ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| VRT | 表記: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE | 組成式: | C15 H23 N7 O4 | SMILES: | CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1 | 定義日: | 2015-11-23 | 最終更新日: | 2016-07-29 | 公開日: | 2016-08-03 | 識別子(ID): | N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide |
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| IUY | 表記: | ethyl (5R)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate | 組成式: | C24 H20 F3 N4 O2 | SMILES: | CCOC(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)c3[nH]cc[n+]3[CH]1c4ccc(cc4)C#N | InChi: | InChI=1S/C24H19F3N4O2/c1-3-33-22(32)20-15(2)31(19-6-4-5-18(13-19)24(25,26)27)23-29-11-12-30(23)21(20)17-9-7-16(14-28)8-10-17/h4-13,21H,3H2,1-2H3/p+1/t21-/m1/s1 | 定義日: | 2015-09-24 | 最終更新日: | 2016-07-29 | 公開日: | 2016-08-03 | 識別子(ID): | ethyl (5R)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate |
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| 56V | 表記: | (3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol | 組成式: | C9 H8 N2 O S | SMILES: | c2c1nc3SCC(n3c1ccc2)O | InChi: | InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1 | 定義日: | 2015-08-06 | 最終更新日: | 2016-07-29 | 公開日: | 2016-08-03 | 識別子(ID): | (3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol |
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| VBM | 表記: | METHYL {(7R)-6-CYANO-7-(4-CYANOPHENYL)-5-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-4,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}CARBAMATE | 組成式: | C23 H16 F3 N7 O2 | SMILES: | COC(=O)N=C1NN2[CH](c3ccc(cc3)C#N)C(=C(C)N(c4cccc(c4)C(F)(F)F)C2=N1)C#N | InChi: | InChI=1S/C23H16F3N7O2/c1-13-18(12-28)19(15-8-6-14(11-27)7-9-15)33-21(29-20(31-33)30-22(34)35-2)32(13)17-5-3-4-16(10-17)23(24,25)26/h3-10,19H,1-2H3,(H,30,31,34)/t19-/m1/s1 | 定義日: | 2015-07-17 | 最終更新日: | 2016-07-29 | 公開日: | 2016-08-03 | 識別子(ID): | methyl (NZ)-N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylidene]carbamate |
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| E1Z | 表記: | S-Trichostatin A | 組成式: | C17 H22 N2 O3 | SMILES: | C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C | InChi: | InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1 | 定義日: | 2016-03-18 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide |
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| N4R | 表記: | NEXTURASTAT A | 組成式: | C19 H23 N3 O3 | SMILES: | CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2 | InChi: | InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23) | 定義日: | 2016-03-18 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | 4-[[butyl(phenylcarbamoyl)amino]methyl]-N-oxidanyl-benzamide |
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| 6E8 | 表記: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | 組成式: | C11 H12 N4 O | SMILES: | c2nn1C(=O)C(C(C)C)=C(C)Nc1c2C#N | InChi: | InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3 | 定義日: | 2016-03-21 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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| 50B | 表記: | 13-diphenylalkyl Berberine | 組成式: | C36 H34 N O4 | SMILES: | O1COc2c1cc5c(c2)c4c(c3c(c(OC)c(OC)cc3)c[n+]4CC5)CCCC(c6ccccc6)c7ccccc7 | InChi: | InChI=1S/C36H34NO4/c1-38-32-17-16-28-29(15-9-14-27(24-10-5-3-6-11-24)25-12-7-4-8-13-25)35-30-21-34-33(40-23-41-34)20-26(30)18-19-37(35)22-31(28)36(32)39-2/h3-8,10-13,16-17,20-22,27H,9,14-15,18-19,23H2,1-2H3/q+1 | 定義日: | 2015-07-03 | 最終更新日: | 2016-07-15 | 公開日: | 2016-07-20 | 識別子(ID): | 13-(4,4-diphenylbutyl)-9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium |
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| 4YT | 表記: | 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline | 組成式: | C14 H15 N3 O | SMILES: | CCc1n2c(nn1)cc(c3c2cc(cc3)OC)C | InChi: | InChI=1S/C14H15N3O/c1-4-13-15-16-14-7-9(2)11-6-5-10(18-3)8-12(11)17(13)14/h5-8H,4H2,1-3H3 | 定義日: | 2015-06-26 | 最終更新日: | 2016-07-08 | 公開日: | 2016-07-13 | 識別子(ID): | 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline |
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| 6RM | 表記: | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one | 組成式: | C18 H17 F N2 O3 S | SMILES: | CC1=C([CH]2C[CH]2CO)N3C(=O)C=C(COc4ccc(F)cc4)N=C3S1 | InChi: | InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1 | 定義日: | 2016-06-07 | 最終更新日: | 2016-07-08 | 公開日: | 2016-07-13 | 識別子(ID): | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
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| 6RV | 表記: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile | 組成式: | C16 H8 Cl F6 N5 O S | SMILES: | FC(F)(F)c1cc(Cl)n(CC2=CC(=O)N3C(=N2)SC(=C3[CH]4C[CH]4C#N)C(F)(F)F)n1 | InChi: | InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1 | 定義日: | 2016-06-09 | 最終更新日: | 2016-07-08 | 公開日: | 2016-07-13 | 識別子(ID): | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile |
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| 4E9 | 表記: | 2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate) | 組成式: | C27 H23 N6 O8 P | SMILES: | O(CC7OC(n2c1N=C(NC(c1nc2Nc4c5cccc6C(=O)c3ccccc3c(cc4)c56)=O)N)CC7O)P(O)(O)=O | InChi: | InChI=1S/C27H23N6O8P/c28-26-31-24-22(25(36)32-26)30-27(33(24)20-10-18(34)19(41-20)11-40-42(37,38)39)29-17-9-8-13-12-4-1-2-5-14(12)23(35)16-7-3-6-15(17)21(13)16/h1-9,18-20,34H,10-11H2,(H,29,30)(H2,37,38,39)(H3,28,31,32,36)/t18-,19+,20+/m0/s1 | 定義日: | 2015-07-16 | 最終更新日: | 2016-07-01 | 公開日: | 2016-07-06 | 識別子(ID): | 2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate) |
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| 5VN | 表記: | Caulophyllogenin | 組成式: | C30 H48 O5 | SMILES: | CC1(C)CC[C]2([CH](O)C[C]3(C)C(=CC[CH]4[C]5(C)CC[CH](O)[C](C)(CO)[CH]5CC[C]34C)[CH]2C1)C(O)=O | InChi: | InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1 | 定義日: | 2015-12-09 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | (4~{a}~{R},5~{R},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},9~{R},10~{S},12~{a}~{R},14~{b}~{S})-9-(hydroxymethyl)-2,2,6~{a},6~{b},9,12~{a}-hexamethyl-5,10-bis(oxidanyl)-1,3,4,5,6,6~{a},7,8,8~{a},10,11,12,13,14~{b}-tetradecahydropicene-4~{a}-carboxylic acid |
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| 6DV | 表記: | N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | 組成式: | C20 H21 F2 N9 O | SMILES: | C4N(CCN(CCNc3nc(N)n1c(nc(n1)c2ccco2)n3)C4)c5ccc(cc5F)F | InChi: | InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28) | 定義日: | 2016-03-18 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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| 6DW | 表記: | 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | 組成式: | C28 H27 N7 O2 | SMILES: | O=C1C(=CN(CC2CC2)N=C1c3ccnn3c4ccccc4)OCCN5CCn6c7ccccc7nc56 | InChi: | InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2 | 定義日: | 2016-04-11 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | 1-(cyclopropylmethyl)-5-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one |
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| 6DX | 表記: | 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | 組成式: | C21 H25 N9 O | SMILES: | C2N(CCN(c1ccccc1)C2)CCCNc5nc(N)n3c(nc(n3)c4ccco4)n5 | InChi: | InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) | 定義日: | 2016-03-18 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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| 6DY | 表記: | 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | 組成式: | C21 H24 N8 O | SMILES: | C1CN(CCC1c2ccccc2)CCNc5nc(N)n3c(nc(n3)c4ccco4)n5 | InChi: | InChI=1S/C21H24N8O/c22-19-25-20(26-21-24-18(27-29(19)21)17-7-4-14-30-17)23-10-13-28-11-8-16(9-12-28)15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H3,22,23,24,25,26,27) | 定義日: | 2016-03-18 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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