![G1T G1T](https://data.pdbj.org/pdbjplus/data/cc/svg/G1T.svg) | G1T | 表記: | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one | 組成式: | C14 H14 F3 N3 O2 S | SMILES: | ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F | InChi: | InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2 | 定義日: | 2018-08-22 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
|
![9M0 9M0](https://data.pdbj.org/pdbjplus/data/cc/svg/9M0.svg) | 9M0 | 表記: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one | 組成式: | C22 H13 F N2 O4 S | SMILES: | c56c(C(c1c(c(nc1c2sccn2)Cc4cc3OCOc3cc4)O5)=O)c(F)ccc6 | InChi: | InChI=1S/C22H13FN2O4S/c23-12-2-1-3-15-17(12)20(26)18-19(22-24-6-7-30-22)25-13(21(18)29-15)8-11-4-5-14-16(9-11)28-10-27-14/h1-7,9,25H,8,10H2 | 定義日: | 2018-05-31 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one |
|
![9T9 9T9](https://data.pdbj.org/pdbjplus/data/cc/svg/9T9.svg) | 9T9 | 表記: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one | 組成式: | C29 H28 F N5 O4 S | SMILES: | c1c(c7c(cc1NCCN2CCN(CC2)C)Oc3c(c(nc3Cc5cc4OCOc4cc5)c6nccs6)C7=O)F | InChi: | InChI=1S/C29H28FN5O4S/c1-34-7-9-35(10-8-34)6-4-31-18-14-19(30)24-23(15-18)39-28-20(12-17-2-3-21-22(13-17)38-16-37-21)33-26(25(28)27(24)36)29-32-5-11-40-29/h2-3,5,11,13-15,31,33H,4,6-10,12,16H2,1H3 | 定義日: | 2018-07-26 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one |
|
![CGY CGY](https://data.pdbj.org/pdbjplus/data/cc/svg/CGY.svg) | CGY | 表記: | (1R)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-O-phosphono-D-erythro-pentitol | 組成式: | C10 H17 N4 O8 P | SMILES: | c1(cc(c(N)nc1N)N(O)O)C2OC(C(C2)O)COP(=O)(O)O | InChi: | InChI=1S/C10H17N4O8P/c11-9-4(1-5(14(16)17)10(12)13-9)7-2-6(15)8(22-7)3-21-23(18,19)20/h1,6-8,15-17H,2-3H2,(H4,11,12,13)(H2,18,19,20)/t6-,7+,8+/m0/s1 | 定義日: | 2017-09-22 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | (1R)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-O-phosphono-D-erythro-pentitol |
|
![CJ1 CJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ1.svg) | CJ1 | 表記: | 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol | 組成式: | C11 H14 N3 O8 P | SMILES: | c3(nc2n(C1CC(C(COP(O)(=O)O)O1)O)ccc2c(n3)O)O | InChi: | InChI=1S/C11H14N3O8P/c15-6-3-8(22-7(6)4-21-23(18,19)20)14-2-1-5-9(14)12-11(17)13-10(5)16/h1-2,6-8,15H,3-4H2,(H2,18,19,20)(H2,12,13,16,17)/t6-,7+,8+/m0/s1 | 定義日: | 2017-09-22 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol |
|
![CJ8 CJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ8.svg) | CJ8 | 表記: | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide | 組成式: | C10 H20 N2 O4 | SMILES: | CCCNC(=O)[CH](O)[CH](O)C(=O)NCCC | InChi: | InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1 | 定義日: | 2017-11-28 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide |
|
![CJE CJE](https://data.pdbj.org/pdbjplus/data/cc/svg/CJE.svg) | CJE | 表記: | ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate | 組成式: | C7 H12 O3 | SMILES: | CCOC(=O)[CH](C)C(C)=O | InChi: | InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m1/s1 | 定義日: | 2017-11-28 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate |
|
![F82 F82](https://data.pdbj.org/pdbjplus/data/cc/svg/F82.svg) | F82 | 表記: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide | 組成式: | C25 H27 N5 O5 | SMILES: | COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C | InChi: | InChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31) | 定義日: | 2018-06-07 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide |
|
![F88 F88](https://data.pdbj.org/pdbjplus/data/cc/svg/F88.svg) | F88 | 表記: | ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | 組成式: | C23 H23 N5 O4 | SMILES: | CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1 | InChi: | InChI=1S/C23H23N5O4/c1-4-28-13-15(12-26-28)9-22(29)27-16-5-7-17(8-6-16)32-23-18-10-20(30-2)21(31-3)11-19(18)24-14-25-23/h5-8,10-14H,4,9H2,1-3H3,(H,27,29) | 定義日: | 2018-06-07 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide |
|
![F8B F8B](https://data.pdbj.org/pdbjplus/data/cc/svg/F8B.svg) | F8B | 表記: | ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 組成式: | C23 H24 N6 O4 | SMILES: | COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)c2cc1OC | InChi: | InChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30) | 定義日: | 2018-06-07 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide |
|
![F8H F8H](https://data.pdbj.org/pdbjplus/data/cc/svg/F8H.svg) | F8H | 表記: | ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 組成式: | C24 H26 F N7 O3 | SMILES: | COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1 | InChi: | InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29) | 定義日: | 2018-06-07 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide |
|
![FJ7 FJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/FJ7.svg) | FJ7 | 表記: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | 組成式: | C30 H31 F N4 O3 | SMILES: | c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F | InChi: | InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m1/s1 | 定義日: | 2018-04-02 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
|
![BUH BUH](https://data.pdbj.org/pdbjplus/data/cc/svg/BUH.svg) | BUH | 表記: | ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | 組成式: | C19 H15 Cl F7 N5 O2 | SMILES: | C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2nc(NC(=O)c3ncc(cc3Cl)C(F)(F)F)ccc2F | InChi: | InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 | 定義日: | 2017-10-13 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide |
|
![KK7 KK7](https://data.pdbj.org/pdbjplus/data/cc/svg/KK7.svg) | KK7 | 表記: | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | 組成式: | C15 H13 N5 O | SMILES: | c3nc(C(Nc2cc(c1n(cnn1)C)ccc2)=O)ccc3 | InChi: | InChI=1S/C15H13N5O/c1-20-10-17-19-14(20)11-5-4-6-12(9-11)18-15(21)13-7-2-3-8-16-13/h2-10H,1H3,(H,18,21) | 定義日: | 2018-07-13 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
|
![KK8 KK8](https://data.pdbj.org/pdbjplus/data/cc/svg/KK8.svg) | KK8 | 表記: | N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | 組成式: | C22 H18 N6 O | SMILES: | N(c3cc(c1nncn1C2CC2)ccc3)C(c4nccc(c4)c5cnccc5)=O | InChi: | InChI=1S/C22H18N6O/c29-22(20-12-15(8-10-24-20)17-4-2-9-23-13-17)26-18-5-1-3-16(11-18)21-27-25-14-28(21)19-6-7-19/h1-5,8-14,19H,6-7H2,(H,26,29) | 定義日: | 2018-07-13 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide |
|
![8TU 8TU](https://data.pdbj.org/pdbjplus/data/cc/svg/8TU.svg) | 8TU | 表記: | (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid | 組成式: | C16 H32 O6 | SMILES: | CCC[CH](CC(C)(O)O)[CH](CO)C[CH](O)CCCCC(O)=O | InChi: | InChI=1S/C16H32O6/c1-3-6-12(10-16(2,21)22)13(11-17)9-14(18)7-4-5-8-15(19)20/h12-14,17-18,21-22H,3-11H2,1-2H3,(H,19,20)/t12-,13+,14+/m0/s1 | 定義日: | 2017-09-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | (6~{R},8~{S},9~{S})-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid |
|
![FKG FKG](https://data.pdbj.org/pdbjplus/data/cc/svg/FKG.svg) | FKG | 表記: | 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 組成式: | C16 H15 F3 N4 O2 | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(C)=N3)CO | InChi: | InChI=1S/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)23-14-13(12(7-24)22-23)15(25)21-9(2)20-14/h3-6,8,24H,7H2,1-2H3,(H,20,21,25)/t8-/m0/s1 | 定義日: | 2018-04-06 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
|
![FKJ FKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FKJ.svg) | FKJ | 表記: | 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | 組成式: | C15 H13 F3 N4 O3 | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CO | InChi: | InChI=1S/C15H13F3N4O3/c1-7(8-2-4-9(5-3-8)15(16,17)18)22-12-11(10(6-23)21-22)13(24)20-14(25)19-12/h2-5,7,23H,6H2,1H3,(H2,19,20,24,25)/t7-/m0/s1 | 定義日: | 2018-04-06 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
|
![FKV FKV](https://data.pdbj.org/pdbjplus/data/cc/svg/FKV.svg) | FKV | 表記: | 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | 組成式: | C16 H12 F6 N4 O2 | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CC(F)(F)F | InChi: | InChI=1S/C16H12F6N4O2/c1-7(8-2-4-9(5-3-8)16(20,21)22)26-12-11(13(27)24-14(28)23-12)10(25-26)6-15(17,18)19/h2-5,7H,6H2,1H3,(H2,23,24,27,28)/t7-/m0/s1 | 定義日: | 2018-04-06 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
|
![FMW FMW](https://data.pdbj.org/pdbjplus/data/cc/svg/FMW.svg) | FMW | 表記: | ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine | 組成式: | C24 H30 N8 O | SMILES: | CCOc1cc(ccc1Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c4nncn4C | InChi: | InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30) | 定義日: | 2018-07-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine |
|
![FV4 FV4](https://data.pdbj.org/pdbjplus/data/cc/svg/FV4.svg) | FV4 | 表記: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | 組成式: | C20 H22 Cl F N4 | SMILES: | n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl | InChi: | InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3 | 定義日: | 2018-04-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
|
![FV7 FV7](https://data.pdbj.org/pdbjplus/data/cc/svg/FV7.svg) | FV7 | 表記: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | 組成式: | C26 H25 Cl2 F N4 | SMILES: | n4c2c(c1ccccc1Cl)cc(cc2n(Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl | InChi: | InChI=1S/C26H25Cl2FN4/c1-16-11-18(12-17(2)24(16)29)15-33-23-14-19(27)13-21(20-5-3-4-6-22(20)28)25(23)31-26(33)32-9-7-30-8-10-32/h3-6,11-14,30H,7-10,15H2,1-2H3 | 定義日: | 2018-04-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
|
![FVD FVD](https://data.pdbj.org/pdbjplus/data/cc/svg/FVD.svg) | FVD | 表記: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole | 組成式: | C25 H29 Cl F N5 | SMILES: | n3(c2cc(cc(C=1CCNCC=1)c2nc3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F | InChi: | InChI=1S/C25H29ClFN5/c1-16-11-18(12-17(2)23(16)27)15-32-22-14-20(26)13-21(19-3-5-28-6-4-19)24(22)30-25(32)31-9-7-29-8-10-31/h3,11-14,28-29H,4-10,15H2,1-2H3 | 定義日: | 2018-04-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole |
|
![FVG FVG](https://data.pdbj.org/pdbjplus/data/cc/svg/FVG.svg) | FVG | 表記: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine | 組成式: | C25 H32 Cl F N6 | SMILES: | n4c2c(N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl | InChi: | InChI=1S/C25H32ClFN6/c1-16-10-18(11-17(2)23(16)27)15-33-22-13-19(26)12-21(32-7-3-4-20(32)14-28)24(22)30-25(33)31-8-5-29-6-9-31/h10-13,20,29H,3-9,14-15,28H2,1-2H3/t20-/m0/s1 | 定義日: | 2018-04-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine |
|
![FVJ FVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FVJ.svg) | FVJ | 表記: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | 組成式: | C25 H28 Cl F N6 | SMILES: | n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl | InChi: | InChI=1S/C25H28ClFN6/c1-14-9-18(10-15(2)23(14)27)13-33-21-12-19(26)11-20(22-16(3)30-31-17(22)4)24(21)29-25(33)32-7-5-28-6-8-32/h9-12,28H,5-8,13H2,1-4H3,(H,30,31) | 定義日: | 2018-04-20 | 最終更新日: | 2018-09-14 | 公開日: | 2018-09-19 | 識別子(ID): | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
|