O43
概要
| 表記: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide |
| 組成式: | C28 H36 N6 O2 |
| 電荷: | 0 |
| 化学式量: | 488.624 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 | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide |
| OpenEye OEToolkits | 1.7.6 | 4-[6-(cyclohexylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-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 | O=C(NC1CC1)c2ccc(cc2)c4cnc5c(NCC3CCOCC3)cc(nn45)NC6CCCCC6 |
| InChI | InChI | 1.03 | InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35) |
| InChIKey | InChI | 1.03 | ZOSFYOBMRYUXAN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CC1)c2ccc(cc2)c3cnc4n3nc(NC5CCCCC5)cc4NCC6CCOCC6 |
| SMILES | CACTVS | 3.385 | O=C(NC1CC1)c2ccc(cc2)c3cnc4n3nc(NC5CCCCC5)cc4NCC6CCOCC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6 |
