![KW5 KW5](https://data.pdbj.org/pdbjplus/data/cc/svg/KW5.svg) | KW5 | 表記: | 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide | 組成式: | C17 H21 Br N4 O5 S | SMILES: | C[CH]1CCCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2Br | InChi: | InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)/t11-/m0/s1 | 定義日: | 2019-07-01 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide |
|
![NE7 NE7](https://data.pdbj.org/pdbjplus/data/cc/svg/NE7.svg) | NE7 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate | 組成式: | C30 H42 N2 O8 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)O)(=O)=O)O | InChi: | InChI=1S/C30H42N2O8S/c1-4-20(2)17-32(41(36,37)24-12-10-23(11-13-24)21(3)33)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-19-39-29-25(28)14-15-38-29/h5-13,20-21,25-29,33-34H,4,14-19H2,1-3H3,(H,31,35)/t20-,21+,25-,26-,27+,28-,29+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
|
![LVV LVV](https://data.pdbj.org/pdbjplus/data/cc/svg/LVV.svg) | LVV | 表記: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide | 組成式: | C12 H17 N O2 S | SMILES: | Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1 | InChi: | InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3 | 定義日: | 2019-03-15 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide |
|
![OJ4 OJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/OJ4.svg) | OJ4 | 表記: | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide | 組成式: | C18 H24 N2 O8 S2 Te | SMILES: | c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O | InChi: | InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+ | 定義日: | 2019-06-25 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide |
|
![NEJ NEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NEJ.svg) | NEJ | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate | 組成式: | C30 H42 N2 O8 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)O)(=O)=O)O | InChi: | InChI=1S/C30H42N2O8S/c1-4-20(2)17-32(41(36,37)24-12-10-23(11-13-24)21(3)33)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-19-39-29-25(28)14-15-38-29/h5-13,20-21,25-29,33-34H,4,14-19H2,1-3H3,(H,31,35)/t20-,21-,25-,26-,27+,28-,29+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
|
![NF4 NF4](https://data.pdbj.org/pdbjplus/data/cc/svg/NF4.svg) | NF4 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C31 H44 N2 O8 S | SMILES: | C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)CC | InChi: | InChI=1S/C31H44N2O8S/c1-4-22(5-2)18-33(42(37,38)25-13-11-24(12-14-25)21(3)34)19-28(35)27(17-23-9-7-6-8-10-23)32-31(36)41-29-20-40-30-26(29)15-16-39-30/h6-14,21-22,26-30,34-35H,4-5,15-20H2,1-3H3,(H,32,36)/t21-,26-,27-,28+,29-,30+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NF7 NF7](https://data.pdbj.org/pdbjplus/data/cc/svg/NF7.svg) | NF7 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C29 H40 N2 O9 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)C(CO)O)(=O)=O)O | InChi: | InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(36,37)22-10-8-21(9-11-22)26(34)17-32)16-25(33)24(14-20-6-4-3-5-7-20)30-29(35)40-27-18-39-28-23(27)12-13-38-28/h3-11,19,23-28,32-34H,12-18H2,1-2H3,(H,30,35)/t23-,24-,25+,26-,27-,28+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NFJ NFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NFJ.svg) | NFJ | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C31 H44 N2 O8 S | SMILES: | C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)CC | InChi: | InChI=1S/C31H44N2O8S/c1-4-22(5-2)18-33(42(37,38)25-13-11-24(12-14-25)21(3)34)19-28(35)27(17-23-9-7-6-8-10-23)32-31(36)41-29-20-40-30-26(29)15-16-39-30/h6-14,21-22,26-30,34-35H,4-5,15-20H2,1-3H3,(H,32,36)/t21-,26+,27+,28-,29+,30-/m1/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NG4 NG4](https://data.pdbj.org/pdbjplus/data/cc/svg/NG4.svg) | NG4 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C29 H40 N2 O9 S | SMILES: | CC(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)C | InChi: | InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(36,37)22-10-8-21(9-11-22)26(34)17-32)16-25(33)24(14-20-6-4-3-5-7-20)30-29(35)40-27-18-39-28-23(27)12-13-38-28/h3-11,19,23-28,32-34H,12-18H2,1-2H3,(H,30,35)/t23-,24-,25+,26+,27-,28+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NJ1 NJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ1.svg) | NJ1 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C31 H44 N2 O9 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O | InChi: | InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28-,29-,30+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NJ4 NJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ4.svg) | NJ4 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | 組成式: | C29 H40 N2 O8 S | SMILES: | CC(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(C)O)(=O)=O)C | InChi: | InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-22(10-12-23)20(3)32)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-18-38-28-24(27)13-14-37-28/h4-12,19-20,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t20-,24+,25+,26-,27+,28-/m1/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
|
![NJ7 NJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ7.svg) | NJ7 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 組成式: | C30 H42 N2 O9 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O | InChi: | InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27+,28-,29+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
|
![NJA NJA](https://data.pdbj.org/pdbjplus/data/cc/svg/NJA.svg) | NJA | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | 組成式: | C29 H40 N2 O8 S | SMILES: | C(C(C(Cc1ccccc1)NC(OC3C2CCOC2OC3)=O)O)N(CC(C)C)S(c4ccc(cc4)C(C)O)(=O)=O | InChi: | InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-22(10-12-23)20(3)32)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-18-38-28-24(27)13-14-37-28/h4-12,19-20,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
|
![NJG NJG](https://data.pdbj.org/pdbjplus/data/cc/svg/NJG.svg) | NJG | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 組成式: | C30 H42 N2 O9 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O | InChi: | InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27-,28-,29+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
|
![NJJ NJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NJJ.svg) | NJJ | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | 組成式: | C31 H44 N2 O9 S | SMILES: | C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)CC | InChi: | InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28+,29-,30+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
![NJM NJM](https://data.pdbj.org/pdbjplus/data/cc/svg/NJM.svg) | NJM | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | 組成式: | C28 H38 N2 O8 S | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)CO)(=O)=O)O | InChi: | InChI=1S/C28H38N2O8S/c1-19(2)15-30(39(34,35)22-10-8-21(17-31)9-11-22)16-25(32)24(14-20-6-4-3-5-7-20)29-28(33)38-26-18-37-27-23(26)12-13-36-27/h3-11,19,23-27,31-32H,12-18H2,1-2H3,(H,29,33)/t23-,24-,25+,26-,27+/m0/s1 | 定義日: | 2019-05-14 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
|
![9WR 9WR](https://data.pdbj.org/pdbjplus/data/cc/svg/9WR.svg) | 9WR | 表記: | [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone | 組成式: | C22 H21 N O5 | SMILES: | COc3cc(C(c1nc(ccc1)c2cc(c(cc2)C)O)=O)cc(c3OC)OC | InChi: | InChI=1S/C22H21NO5/c1-13-8-9-14(10-18(13)24)16-6-5-7-17(23-16)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12,24H,1-4H3 | 定義日: | 2018-08-22 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone |
|
![9WX 9WX](https://data.pdbj.org/pdbjplus/data/cc/svg/9WX.svg) | 9WX | 表記: | ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate | 組成式: | C23 H25 N5 O6 S | SMILES: | CCOC(Cn1cnc(c1)S(=O)(=O)n3c2nc(cnc2cc3)CCc4cc(cc(c4)OC)OC)=O | InChi: | InChI=1S/C23H25N5O6S/c1-4-34-22(29)14-27-13-21(25-15-27)35(30,31)28-8-7-20-23(28)26-17(12-24-20)6-5-16-9-18(32-2)11-19(10-16)33-3/h7-13,15H,4-6,14H2,1-3H3 | 定義日: | 2018-08-22 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate |
|
![O0J O0J](https://data.pdbj.org/pdbjplus/data/cc/svg/O0J.svg) | O0J | 表記: | N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide | 組成式: | C11 H11 N3 O S | SMILES: | Nc2nc(c1ccc(cc1)NC(C)=O)cs2 | InChi: | InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15) | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide |
|
![O0M O0M](https://data.pdbj.org/pdbjplus/data/cc/svg/O0M.svg) | O0M | 表記: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol | 組成式: | C15 H23 N O | SMILES: | c1c(C(C)C)ccc(c1)CN2CCC(O)CC2 | InChi: | InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3 | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol |
|
![O0P O0P](https://data.pdbj.org/pdbjplus/data/cc/svg/O0P.svg) | O0P | 表記: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide | 組成式: | C8 H11 F N2 O2 S | SMILES: | NS(N(C)Cc1cc(ccc1)F)(=O)=O | InChi: | InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13) | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
|
![O0S O0S](https://data.pdbj.org/pdbjplus/data/cc/svg/O0S.svg) | O0S | 表記: | N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide | 組成式: | C12 H11 N3 O2 | SMILES: | n1cccnc1Oc2ccc(NC(C)=O)cc2 | InChi: | InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16) | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide |
|
![O1A O1A](https://data.pdbj.org/pdbjplus/data/cc/svg/O1A.svg) | O1A | 表記: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide | 組成式: | C13 H19 N3 O | SMILES: | N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O | InChi: | InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17) | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
|
![O1M O1M](https://data.pdbj.org/pdbjplus/data/cc/svg/O1M.svg) | O1M | 表記: | 4-(4-fluorophenyl)piperazine-1-carboxamide | 組成式: | C11 H14 F N3 O | SMILES: | N2(C(N)=O)CCN(c1ccc(cc1)F)CC2 | InChi: | InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) | 定義日: | 2019-06-04 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 4-(4-fluorophenyl)piperazine-1-carboxamide |
|
![O2D O2D](https://data.pdbj.org/pdbjplus/data/cc/svg/O2D.svg) | O2D | 表記: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide | 組成式: | C10 H16 N4 O | SMILES: | N(C(CC1CCCCC1)=O)n2cnnc2 | InChi: | InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15) | 定義日: | 2019-06-05 | 最終更新日: | 2019-08-16 | 公開日: | 2019-08-21 | 識別子(ID): | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide |
|