![FXH FXH](https://data.pdbj.org/pdbjplus/data/cc/svg/FXH.svg) | FXH | 表記: | 1-[(dimethylamino)methyl]naphthalen-2-ol | 組成式: | C13 H15 N O | SMILES: | CN(C)Cc1c(O)ccc2ccccc12 | InChi: | InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3 | 定義日: | 2018-08-13 | 最終更新日: | 2020-01-03 | 公開日: | 2020-01-08 | 識別子(ID): | 1-[(dimethylamino)methyl]naphthalen-2-ol |
|
![NRZ NRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/NRZ.svg) | NRZ | 表記: | (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide | 組成式: | C20 H24 N2 O4 S | SMILES: | COc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3 | InChi: | InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1 | 定義日: | 2019-12-12 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide |
|
![NS2 NS2](https://data.pdbj.org/pdbjplus/data/cc/svg/NS2.svg) | NS2 | 表記: | [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone | 組成式: | C23 H23 Cl N6 O2 | SMILES: | COc1ccc(n2nccn2)c(c1)C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4 | InChi: | InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1 | 定義日: | 2019-12-12 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone |
|
![NT5 NT5](https://data.pdbj.org/pdbjplus/data/cc/svg/NT5.svg) | NT5 | 表記: | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone | 組成式: | C24 H25 F N4 O2 | SMILES: | C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc(C)ccc3c4ncccn4 | InChi: | InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1 | 定義日: | 2019-12-12 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone |
|
![NU8 NU8](https://data.pdbj.org/pdbjplus/data/cc/svg/NU8.svg) | NU8 | 表記: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one | 組成式: | C20 H15 F3 N4 O5 S | SMILES: | COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O | InChi: | InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3 | 定義日: | 2019-12-13 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
|
![NV8 NV8](https://data.pdbj.org/pdbjplus/data/cc/svg/NV8.svg) | NV8 | 表記: | 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole | 組成式: | C21 H23 N3 O3 S | SMILES: | O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5 | InChi: | InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2 | 定義日: | 2019-12-16 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole |
|
![NVH NVH](https://data.pdbj.org/pdbjplus/data/cc/svg/NVH.svg) | NVH | 表記: | 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one | 組成式: | C19 H13 F3 N4 O5 S2 | SMILES: | C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O | InChi: | InChI=1S/C19H13F3N4O5S2/c1-32(28,29)13-7-12(8-23-9-13)26-19(27)25(10-14-15(21)5-11(20)6-16(14)22)18-17(33(26,30)31)3-2-4-24-18/h2-9H,10H2,1H3 | 定義日: | 2019-12-16 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
|
![NVK NVK](https://data.pdbj.org/pdbjplus/data/cc/svg/NVK.svg) | NVK | 表記: | 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea | 組成式: | C17 H13 N5 O2 | SMILES: | Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1 | InChi: | InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23) | 定義日: | 2019-12-16 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea |
|
![M9K M9K](https://data.pdbj.org/pdbjplus/data/cc/svg/M9K.svg) | M9K | 表記: | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid | 組成式: | C11 H9 Cl N2 O2 S2 | SMILES: | OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3 | InChi: | InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16) | 定義日: | 2019-10-09 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid |
|
![NVN NVN](https://data.pdbj.org/pdbjplus/data/cc/svg/NVN.svg) | NVN | 表記: | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea | 組成式: | C19 H18 F2 N4 O | SMILES: | CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 | InChi: | InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26) | 定義日: | 2019-12-16 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea |
|
![M9N M9N](https://data.pdbj.org/pdbjplus/data/cc/svg/M9N.svg) | M9N | 表記: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid | 組成式: | C9 H11 Cl N2 O2 S2 | SMILES: | Cc1sc2NCN[CH](SCC(O)=O)c2c1Cl | InChi: | InChI=1S/C9H11ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h8,11-12H,2-3H2,1H3,(H,13,14)/t8-/m0/s1 | 定義日: | 2019-10-09 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid |
|
![M9T M9T](https://data.pdbj.org/pdbjplus/data/cc/svg/M9T.svg) | M9T | 表記: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one | 組成式: | C20 H25 N5 O3 | SMILES: | COc1ccc(Nc2ncc3N(C)C(=O)N([CH]4CC[CH](O)CC4)c3n2)c(C)c1 | InChi: | InChI=1S/C20H25N5O3/c1-12-10-15(28-3)8-9-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-4-6-14(26)7-5-13/h8-11,13-14,26H,4-7H2,1-3H3,(H,21,22,23)/t13-,14- | 定義日: | 2019-10-09 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one |
|
![MBW MBW](https://data.pdbj.org/pdbjplus/data/cc/svg/MBW.svg) | MBW | 表記: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one | 組成式: | C18 H20 N8 O2 | SMILES: | CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13 | InChi: | InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) | 定義日: | 2019-10-10 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one |
|
![L7Y L7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L7Y.svg) | L7Y | 表記: | 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one | 組成式: | C23 H22 Cl N3 O3 | SMILES: | Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O | InChi: | InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28) | 定義日: | 2019-02-11 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one |
|
![MFE MFE](https://data.pdbj.org/pdbjplus/data/cc/svg/MFE.svg) | MFE | 表記: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine | 組成式: | C15 H12 Cl N3 | SMILES: | Clc1ccc(CNc2ncnc3ccccc23)cc1 | InChi: | InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) | 定義日: | 2019-10-12 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
|
![NQ2 NQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ2.svg) | NQ2 | 表記: | ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | 組成式: | C25 H35 N3 O6 S | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCCN4CCC(CC4)C(C)(C)O)c2 | InChi: | InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3 | 定義日: | 2019-12-10 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide |
|
![NQ5 NQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ5.svg) | NQ5 | 表記: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide | 組成式: | C25 H33 N3 O8 S | SMILES: | COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2 | InChi: | InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | 定義日: | 2019-12-11 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide |
|
![KHQ KHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KHQ.svg) | KHQ | 表記: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one | 組成式: | C28 H31 F3 N8 O | SMILES: | C[CH](N1CCN(CC1)C(=O)CC(F)(F)F)c2ccnc(Nc3[nH]c4ccc(cc4n3)c5cnn(CC6CC6)c5)c2 | InChi: | InChI=1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1 | 定義日: | 2019-05-22 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one |
|
![KHT KHT](https://data.pdbj.org/pdbjplus/data/cc/svg/KHT.svg) | KHT | 表記: | ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | 組成式: | C25 H26 F3 N7 O2 | SMILES: | FC(F)(F)CC(=O)N1CCN(CC1)Cc2ccnc(Nc3[nH]c4ccc(cc4n3)C(=O)NCC5=CC5)c2 | InChi: | InChI=1S/C25H26F3N7O2/c26-25(27,28)13-22(36)35-9-7-34(8-10-35)15-17-5-6-29-21(11-17)33-24-31-19-4-3-18(12-20(19)32-24)23(37)30-14-16-1-2-16/h1,3-6,11-12H,2,7-10,13-15H2,(H,30,37)(H2,29,31,32,33) | 定義日: | 2019-05-22 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide |
|
![H7S H7S](https://data.pdbj.org/pdbjplus/data/cc/svg/H7S.svg) | H7S | 表記: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione | 組成式: | C12 H9 F N2 O2 | SMILES: | C1(C(NC(=O)C1)=O)c2cnc3c2cc(cc3)F | InChi: | InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m0/s1 | 定義日: | 2018-06-13 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione |
|
![QJ1 QJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/QJ1.svg) | QJ1 | 表記: | methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate | 組成式: | C11 H15 N O2 S2 | SMILES: | c1(sccc1)C2CCN(C(OC)=O)CCS2 | InChi: | InChI=1S/C11H15NO2S2/c1-14-11(13)12-5-4-10(16-8-6-12)9-3-2-7-15-9/h2-3,7,10H,4-6,8H2,1H3/t10-/m0/s1 | 定義日: | 2019-11-04 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate |
|
![QJA QJA](https://data.pdbj.org/pdbjplus/data/cc/svg/QJA.svg) | QJA | 表記: | 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one | 組成式: | C11 H13 N O S2 | SMILES: | CC(N1C=CSC(CC1)c2sccc2)=O | InChi: | InChI=1S/C11H13NOS2/c1-9(13)12-5-4-11(15-8-6-12)10-3-2-7-14-10/h2-3,6-8,11H,4-5H2,1H3/t11-/m0/s1 | 定義日: | 2019-11-04 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one |
|
![QKD QKD](https://data.pdbj.org/pdbjplus/data/cc/svg/QKD.svg) | QKD | 表記: | ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate | 組成式: | C12 H17 N O2 S2 | SMILES: | C2N(C(OCC)=O)CCC(c1sccc1)SC2 | InChi: | InChI=1S/C12H17NO2S2/c1-2-15-12(14)13-6-5-11(17-9-7-13)10-4-3-8-16-10/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m0/s1 | 定義日: | 2019-11-06 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate |
|
![Q6S Q6S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6S.svg) | Q6S | 表記: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide | 組成式: | C28 H29 F N4 O3 | SMILES: | N(Cc1cc(cc(c1)OC)OC)C(=O)c3cc(CN2C(/N(C)C=C2)=N)cc(c3)c4ccc(cc4C)F | InChi: | InChI=1S/C28H29FN4O3/c1-18-9-23(29)5-6-26(18)21-10-20(17-33-8-7-32(2)28(33)30)11-22(14-21)27(34)31-16-19-12-24(35-3)15-25(13-19)36-4/h5-15,30H,16-17H2,1-4H3,(H,31,34)/b30-28+ | 定義日: | 2019-09-26 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide |
|
![B7O B7O](https://data.pdbj.org/pdbjplus/data/cc/svg/B7O.svg) | B7O | 表記: | ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 組成式: | C26 H26 N2 O4 | SMILES: | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc4OCCOc4c3)cc2 | InChi: | InChI=1S/C26H26N2O4/c1-26(2,3)19-7-4-17(5-8-19)24(29)27-20-9-11-21(12-10-20)28-25(30)18-6-13-22-23(16-18)32-15-14-31-22/h4-13,16H,14-15H2,1-3H3,(H,27,29)(H,28,30) | 定義日: | 2019-01-18 | 最終更新日: | 2019-12-27 | 公開日: | 2020-01-01 | 識別子(ID): | ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
|