![9GM 9GM](https://data.pdbj.org/pdbjplus/data/cc/svg/9GM.svg) | 9GM | 表記: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one | 組成式: | C10 H17 N6 O13 P3 | SMILES: | C2(=Nc1n(cnc1C(=O)N2)C3OC(C(O)C3O)COP(=O)(OP(O)(=O)NP(O)(=O)O)O)N | InChi: | InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5+,6-,9+/m0/s1 | 定義日: | 2017-05-10 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one |
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![E1D E1D](https://data.pdbj.org/pdbjplus/data/cc/svg/E1D.svg) | E1D | 表記: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one | 組成式: | C15 H15 F2 N5 O2 | SMILES: | c13N(C(=O)C(C)N(c1nc(Nc2cc(c(c(F)c2)O)F)nc3)C)C | InChi: | InChI=1S/C15H15F2N5O2/c1-7-14(24)22(3)11-6-18-15(20-13(11)21(7)2)19-8-4-9(16)12(23)10(17)5-8/h4-7,23H,1-3H3,(H,18,19,20)/t7-/m1/s1 | 定義日: | 2017-11-22 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one |
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![6QX 6QX](https://data.pdbj.org/pdbjplus/data/cc/svg/6QX.svg) | 6QX | 表記: | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | 組成式: | C17 H24 N4 S | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3sc4CCCc4c23 | InChi: | InChI=1S/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine |
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![6QY 6QY](https://data.pdbj.org/pdbjplus/data/cc/svg/6QY.svg) | 6QY | 表記: | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | 組成式: | C19 H29 N5 O | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 | InChi: | InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine |
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![6QZ 6QZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6QZ.svg) | 6QZ | 表記: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | 組成式: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1 | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R0 6R0](https://data.pdbj.org/pdbjplus/data/cc/svg/6R0.svg) | 6R0 | 表記: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | 組成式: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1 | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R1 6R1](https://data.pdbj.org/pdbjplus/data/cc/svg/6R1.svg) | 6R1 | 表記: | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C21 H31 N5 O2 | SMILES: | C1CC(CCO1)c2c[nH]c3ncnc(N[CH]4CC[CH](CC4)N5CCOCC5)c23 | InChi: | InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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![DL1 DL1](https://data.pdbj.org/pdbjplus/data/cc/svg/DL1.svg) | DL1 | 表記: | N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide | 組成式: | C20 H21 N5 O3 | SMILES: | C1COCCN1c2ccc(c(c2)OC)NC(=O)c3cccc(n3)c4nncc4 | InChi: | InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26) | 定義日: | 2017-10-30 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide |
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![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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![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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![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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![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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![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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![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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![RSE RSE](https://data.pdbj.org/pdbjplus/data/cc/svg/RSE.svg) | RSE | 表記: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | 組成式: | C12 H21 N5 O13 P3 Se | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C12H20N5O13P3Se/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1 | 定義日: | 2016-10-28 | 最終更新日: | 2017-11-24 | 公開日: | 2017-11-29 | 識別子(ID): | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate |
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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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![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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![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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![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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![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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![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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![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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