4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
• 英文别名: (4Z)-4-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-methyl-1H-pyrazol-5-one
• 化学式: C₂₀H₁₆N₄O
• 分子量: 328.4
• InChiKey: DGSFFYVACCJJGR-PDGQHHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS
  申请人：GRUENEBERG Dorre A.

  公开号：US20160031890A1

  公开（公告）日：2016-02-04

  The present invention relates to a method using some novel compounds and compositions for the inhibition of ROS tyrosine kinase. In particular, the present invention covers a method to treat abnormal cell growth, such as cancer, with ROS 10 inhibitors and compositions having ROS inhibitors. An illustrative compound of the invention is shown below Formula (I).
• US9963452B2
  申请人：——

  公开号：US9963452B2

  公开（公告）日：2018-05-08