methyl 3-[[4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoyl]-[4-[(4-fluorooxan-4-yl)methoxy]-3-nitrophenyl]sulfonylamino]-2,2-dimethylpropanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 3-[[4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoyl]-[4-[(4-fluorooxan-4-yl)methoxy]-3-nitrophenyl]sulfonylamino]-2,2-dimethylpropanoate
• 化学式: C51H58ClFN6O10S
• 分子量: 1001.6
• InChiKey: VKXFRUQLYDQSQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  198
• 氢给体数：
  1
• 氢受体数：
  14

文献信息

• APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：US20200231566A1

  公开（公告）日：2020-07-23

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.