2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide

• 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-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
• 英文别名: 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
• 化学式: C₁₃H₁₁N₅O₂S
• 分子量: 301.33
• InChiKey: BPGONENGLXCKBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER
  申请人：TOMKINSON Alan E.

  公开号：US20100099683A1

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  公开号：US20140113891A1

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  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
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