[2-Methyl-4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]methyl 2-phenylpropanoate

• 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: [2-Methyl-4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]methyl 2-phenylpropanoate
• 英文别名: [2-methyl-4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]methyl 2-phenylpropanoate
• 化学式: C₃₉H₄₁N₇O₃
• 分子量: 655.8
• InChiKey: NVUCNPGNSKKYCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  49
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES
  申请人：Inhibikase Therapeutics, Inc.

  公开号：EP2903979A1

  公开（公告）日：2015-08-12
• [EN] NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES<br/>[FR] NOUVEAUX COMPOSÉS, LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：INHIBIKASE THERAPEUTICS INC

  公开号：WO2014055938A1

  公开（公告）日：2014-04-10

  Novel compounds and their synthesis are described. Methods for using these compounds in the prevention or treatment of cancer, a bacterial infection or a viral infection in a subject are also described.