2-oxo-2-(4-phenoxyphenyl)ethyl 2-(3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

• 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-oxo-2-(4-phenoxyphenyl)ethyl 2-(3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
• 英文别名: [2-oxo-2-(4-phenoxyphenyl)ethyl] 2-(3-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
• 化学式: C₂₉H₁₈ClNO₆
• 分子量: 511.9
• InChiKey: ACZQZRNVAGRWAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  90
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Crystal structure of erythrocyte binding domain of EBA-175
  申请人：Joshua-Tor Leemor

  公开号：US20070043208A1

  公开（公告）日：2007-02-22

  The present invention provides three-dimensional structural information for region II of the erythrocyte binding antigen 175 (EBA-175). Specifically, the present invention provides three-dimensional structural information of erythrocytic receptor binding sites of EBA-175 RII. The three-dimensional structural information is useful in drug design aimed at blocking receptor interaction with EBA-175. Methods for drug design and methods for identifying compounds binding to EBA-175 RII are also provided.