HOK
概要
| 表記: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 組成式: | C26 H25 F3 N8 O2 |
| 電荷: | 0 |
| 化学式量: | 538.524 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]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 |
| InChI | InChI | 1.03 | InChI=1S/C26H25F3N8O2/c1-16-7-8-17(22(39)31-19-5-2-4-18(13-19)26(27,28)29)12-21(16)32-23-33-24(36-10-3-6-20(38)14-36)35-25(34-23)37-11-9-30-15-37/h2,4-5,7-9,11-13,15,20,38H,3,6,10,14H2,1H3,(H,31,39)(H,32,33,34,35)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | JHUYRHDBWXUNON-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC[C@H](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)N3CCCC(C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
