![V0L V0L](https://data.pdbj.org/pdbjplus/data/cc/svg/V0L.svg) | V0L | 表記: | volitinib | 組成式: | C17 H15 N9 | SMILES: | C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4 | InChi: | InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1 | 定義日: | 2016-06-17 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 3-[(1~{S})-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazine |
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![SKH SKH](https://data.pdbj.org/pdbjplus/data/cc/svg/SKH.svg) | SKH | 表記: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | 組成式: | C12 H22 N2 O6 | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12-/m0/s1 | 定義日: | 2017-07-22 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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![9SQ 9SQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9SQ.svg) | 9SQ | 表記: | dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethaneselenato- 1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) | 組成式: | C7 H5 Fe2 N3 O3 Se2 | SMILES: | O=C1[Fe]([Se]CNC[Se][Fe]1(C#N)C#[O+])(C#N)C#[O+] | InChi: | InChI=1S/C2H7NSe2.2CN.3CO.2Fe/c4-1-3-2-5 | 定義日: | 2017-07-07 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 |
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![9X8 9X8](https://data.pdbj.org/pdbjplus/data/cc/svg/9X8.svg) | 9X8 | 表記: | thioacetyl-ADP-ribose | 組成式: | C17 H25 N5 O14 P2 S | SMILES: | CC(=S)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O | InChi: | InChI=1S/C17H25N5O14P2S/c1-6(39)33-13-11(24)8(35-17(13)26)3-32-38(29,30)36-37(27,28)31-2-7-10(23)12(25)16(34-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,23-26H,2-3H2,1H3,(H,27,28)(H,29,30)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | 定義日: | 2017-07-22 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | ~{O}-[(2~{S},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanethioate |
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![8R3 8R3](https://data.pdbj.org/pdbjplus/data/cc/svg/8R3.svg) | 8R3 | 表記: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid | 組成式: | C24 H28 Cl N5 O5 | SMILES: | COc1ccc(Cl)cc1C[CH]2CNC(CN(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)=NN(C)C | InChi: | InChI=1S/C24H28ClN5O5/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34)/t17-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 3-[2-[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid |
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![92T 92T](https://data.pdbj.org/pdbjplus/data/cc/svg/92T.svg) | 92T | 表記: | 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile | 組成式: | C24 H17 Cl N8 O | SMILES: | Clc1ccccc1n2c(nnc2c3ccncn3)[CH]4C[CH](C4)N5C(=O)Nc6cc(ccc56)C#N | InChi: | InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | 定義日: | 2017-04-12 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile |
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![97E 97E](https://data.pdbj.org/pdbjplus/data/cc/svg/97E.svg) | 97E | 表記: | 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile | 組成式: | C26 H15 Cl N8 O | SMILES: | Clc1ccccc1n2c(nnc2c3ccncn3)c4ccc(cc4)N5C(=O)Nc6cc(ccc56)C#N | InChi: | InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36) | 定義日: | 2017-04-27 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile |
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![D0S D0S](https://data.pdbj.org/pdbjplus/data/cc/svg/D0S.svg) | D0S | 表記: | N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | 組成式: | C26 H31 N7 O2 S | SMILES: | c5(c4ccn3c(c(c2nc(N1CC(O)C1)cc(C(NCC(C)N(CC)CC)=O)c2)cn3)n4)cccs5 | InChi: | InChI=1S/C26H31N7O2S/c1-4-31(5-2)17(3)13-27-26(35)18-11-22(29-24(12-18)32-15-19(34)16-32)20-14-28-33-9-8-21(30-25(20)33)23-7-6-10-36-23/h6-12,14,17,19,34H,4-5,13,15-16H2,1-3H3,(H,27,35)/t17-/m0/s1 | 定義日: | 2017-10-13 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide |
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![DXV DXV](https://data.pdbj.org/pdbjplus/data/cc/svg/DXV.svg) | DXV | 表記: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | 組成式: | C25 H22 N2 O2 | SMILES: | C5CC(c4c(C(O)=O)ccc(c3c2cc(c1ccccc1)cnc2nc3)c4)CC5 | InChi: | InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29) | 定義日: | 2017-11-11 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
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![E0G E0G](https://data.pdbj.org/pdbjplus/data/cc/svg/E0G.svg) | E0G | 表記: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide | 組成式: | C23 H27 F3 N4 O3 | SMILES: | CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(N)=O)c(N[CH]4CC[CH](O)CC4)c3 | InChi: | InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14- | 定義日: | 2017-11-20 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide |
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![NZI NZI](https://data.pdbj.org/pdbjplus/data/cc/svg/NZI.svg) | NZI | 表記: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | 組成式: | C12 H17 N2 O13 P3 | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C(=O)Nc3ccccc23 | InChi: | InChI=1S/C12H17N2O13P3/c15-9-5-11(14-8-4-2-1-3-7(8)13-12(14)16)25-10(9)6-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-4,9-11,15H,5-6H2,(H,13,16)(H,20,21)(H,22,23)(H2,17,18,19)/t9-,10+,11+/m0/s1 | 定義日: | 2017-09-11 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
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![LQY LQY](https://data.pdbj.org/pdbjplus/data/cc/svg/LQY.svg) | LQY | 表記: | N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide | 組成式: | C31 H36 N4 O4 | SMILES: | COc1ccc(cc1c2ccc(cc2)C(NCC(N)=O)=O)C4=NN(C3CCCCCC3)C(=O)C5CC=CCC45 | InChi: | InChI=1S/C31H36N4O4/c1-39-27-17-16-22(18-26(27)20-12-14-21(15-13-20)30(37)33-19-28(32)36)29-24-10-6-7-11-25(24)31(38)35(34-29)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11,19H2,1H3,(H2,32,36)(H,33,37)/t24-,25+/m0/s1 | 定義日: | 2016-04-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide |
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![D3V D3V](https://data.pdbj.org/pdbjplus/data/cc/svg/D3V.svg) | D3V | 表記: | 1a,20S-dihydroxyvitamin D3 | 組成式: | C27 H44 O3 | SMILES: | CC(C)CCC[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H44O3/c1-18(2)8-6-15-27(5,30)25-13-12-23-20(9-7-14-26(23,25)4)10-11-21-16-22(28)17-24(29)19(21)3/h10-11,18,22-25,28-30H,3,6-9,12-17H2,1-2,4-5H3/b20-10+,21-11-/t22-,23+,24+,25+,26+,27+/m1/s1 | 定義日: | 2017-01-21 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![6M5 6M5](https://data.pdbj.org/pdbjplus/data/cc/svg/6M5.svg) | 6M5 | 表記: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one | 組成式: | C33 H40 N6 O4 | SMILES: | COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C5CCCCCC5)C(=O)[CH]6CC=CC[CH]46 | InChi: | InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | 定義日: | 2016-05-27 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one |
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![6T3 6T3](https://data.pdbj.org/pdbjplus/data/cc/svg/6T3.svg) | 6T3 | 表記: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene | 組成式: | C28 H32 N4 O3 | SMILES: | C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5 | InChi: | InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+ | 定義日: | 2016-06-17 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 |
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![70K 70K](https://data.pdbj.org/pdbjplus/data/cc/svg/70K.svg) | 70K | 表記: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | 組成式: | C25 H29 N5 O4 | SMILES: | CN(C(=O)c1cc2c([nH]nc2cc1O)C(=O)N3CCCCC3)c4ccc(cc4)N5CCOCC5 | InChi: | InChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27) | 定義日: | 2016-08-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-piperidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide |
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![70L 70L](https://data.pdbj.org/pdbjplus/data/cc/svg/70L.svg) | 70L | 表記: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide | 組成式: | C24 H25 N5 O2 | SMILES: | CCNC(=O)C1(CCC1)c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2 | InChi: | InChI=1S/C24H25N5O2/c1-2-26-22(31)24(10-5-11-24)17-8-9-19-18(12-17)20(28-23(25)27-19)21(30)29-13-15-6-3-4-7-16(15)14-29/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,26,31)(H2,25,27,28) | 定義日: | 2016-08-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 1-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]-~{N}-ethyl-cyclobutane-1-carboxamide |
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![70M 70M](https://data.pdbj.org/pdbjplus/data/cc/svg/70M.svg) | 70M | 表記: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile | 組成式: | C24 H25 N5 O | SMILES: | Oc1cc2[nH]cc(CCCCN3CCN(CC3)c4ccc(cc4)C#N)c2cc1C#N | InChi: | InChI=1S/C24H25N5O/c25-15-18-4-6-21(7-5-18)29-11-9-28(10-12-29)8-2-1-3-19-17-27-23-14-24(30)20(16-26)13-22(19)23/h4-7,13-14,17,27,30H,1-3,8-12H2 | 定義日: | 2016-08-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile |
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![70N 70N](https://data.pdbj.org/pdbjplus/data/cc/svg/70N.svg) | 70N | 表記: | [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | 組成式: | C28 H26 F2 N6 O3 S | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2cc(F)c(F)cc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3 | InChi: | InChI=1S/C28H26F2N6O3S/c1-34-8-10-36(11-9-34)40(38,39)25-14-23(30)22(29)13-20(25)17-6-7-24-21(12-17)26(33-28(31)32-24)27(37)35-15-18-4-2-3-5-19(18)16-35/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33) | 定義日: | 2016-08-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone |
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![70O 70O](https://data.pdbj.org/pdbjplus/data/cc/svg/70O.svg) | 70O | 表記: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide | 組成式: | C27 H36 N4 O2 | SMILES: | CN1CCC(CC1)c2ccc(cc2)N(C)C(=O)c3cc4c(CCC(C)(C)C)[nH]nc4cc3O | InChi: | InChI=1S/C27H36N4O2/c1-27(2,3)13-10-23-21-16-22(25(32)17-24(21)29-28-23)26(33)31(5)20-8-6-18(7-9-20)19-11-14-30(4)15-12-19/h6-9,16-17,19,32H,10-15H2,1-5H3,(H,28,29) | 定義日: | 2016-08-08 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide |
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![70Z 70Z](https://data.pdbj.org/pdbjplus/data/cc/svg/70Z.svg) | 70Z | 表記: | ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide | 組成式: | C25 H31 N5 O4 | SMILES: | CCCCN(C)C(=O)c1[nH]nc2cc(O)c(cc12)C(=O)N(C)c3ccc(cc3)N4CCOCC4 | InChi: | InChI=1S/C25H31N5O4/c1-4-5-10-28(2)25(33)23-19-15-20(22(31)16-21(19)26-27-23)24(32)29(3)17-6-8-18(9-7-17)30-11-13-34-14-12-30/h6-9,15-16,31H,4-5,10-14H2,1-3H3,(H,26,27) | 定義日: | 2016-08-09 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide |
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![7LS 7LS](https://data.pdbj.org/pdbjplus/data/cc/svg/7LS.svg) | 7LS | 表記: | 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one | 組成式: | C23 H22 N4 O7 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=CC(=NC2=O)Nc3ccc4Nc5ccccc5C(=O)c4c3 | InChi: | InChI=1S/C23H22N4O7/c28-10-16-19(30)20(31)21(32)22(34-16)27-8-7-17(26-23(27)33)24-11-5-6-15-13(9-11)18(29)12-3-1-2-4-14(12)25-15/h1-9,16,19-22,28,30-32H,10H2,(H,25,29)(H,24,26,33)/t16-,19-,20+,21-,22-/m1/s1 | 定義日: | 2016-11-16 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one |
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![7MA 7MA](https://data.pdbj.org/pdbjplus/data/cc/svg/7MA.svg) | 7MA | 表記: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide | 組成式: | C23 H26 N4 O4 S | SMILES: | CCN(Cc1cccnc1)C(=O)CN(c2ccc(OC)nc2)[S](=O)(=O)c3ccccc3C | InChi: | InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | 定義日: | 2016-11-30 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | ~{N}-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-~{N}-(pyridin-3-ylmethyl)ethanamide |
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![AVB AVB](https://data.pdbj.org/pdbjplus/data/cc/svg/AVB.svg) | AVB | 表記: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide | 組成式: | C11 H14 Br N3 O | SMILES: | Brc1ccc(NC(=O)[CH]2CCCNC2)nc1 | InChi: | InChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/t8-/m1/s1 | 定義日: | 2017-08-24 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide |
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![8KP 8KP](https://data.pdbj.org/pdbjplus/data/cc/svg/8KP.svg) | 8KP | 表記: | N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide | 組成式: | C18 H20 N2 O2 S | SMILES: | CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C | InChi: | InChI=1S/C18H20N2O2S/c1-4-16-10-17(9-14(3)18(16)11-19)20-23(21,22)12-15-7-5-13(2)6-8-15/h5-10,20H,4,12H2,1-3H3 | 定義日: | 2017-02-11 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide |
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