VZO
概要
表記: | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide |
組成式: | C27 H34 N8 O3 |
電荷: | 0 |
化学式量: | 518.611 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 | 2.0.7 | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide |
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 | 1.06 | InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37) |
InChIKey | InChI | 1.06 | JOGBCZWNFGWQHB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N |
SMILES | CACTVS | 3.385 | COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1cc(c2c1cc(c(n2)C=O)CN3CCN(CC3)C)C(=O)Nc4cc(c(cn4)C#N)NCCOC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1cc(c2c1cc(c(n2)C=O)CN3CCN(CC3)C)C(=O)Nc4cc(c(cn4)C#N)NCCOC |