3-[[6-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[[6-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide
• 化学式: C96H104F9N25O8+2
• 分子量: 1907.0
• InChiKey: TYVUDOUWZQJDCE-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  138
• 可旋转键数：
  25
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  329
• 氢给体数：
  6
• 氢受体数：
  37