HBV
概要
| 表記: | 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide |
| 別名: | Bavarostat |
| 組成式: | C20 H27 F N2 O2 |
| 電荷: | 0 |
| 化学式量: | 346.439 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide |
| OpenEye OEToolkits | 2.0.6 | 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoranyl-~{N}-oxidanyl-benzamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)cc(C(=O)NO)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20- |
| InChIKey | InChI | 1.03 | IGZQZELTOHAHNW-PVGDPBLGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3 |
