5-[5-[2-(3-Carboxy-4-hydroxy-phenyl)-1,3-dioxo-isoindolin-5-yl]oxy-1,3-dioxo-isoindolin-2-yl]-2-hydroxy-benzoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[5-[2-(3-Carboxy-4-hydroxy-phenyl)-1,3-dioxo-isoindolin-5-yl]oxy-1,3-dioxo-isoindolin-2-yl]-2-hydroxy-benzoic acid
• 英文别名: 5-[5-[2-(3-carboxy-4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-hydroxybenzoic acid
• 化学式: C₃₀H₁₆N₂O₁₁
• 分子量: 580.5
• InChiKey: IREHTFVCUYMVEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  199
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS
  申请人：Neamati Nouri

  公开号：US20090088420A1

  公开（公告）日：2009-04-02

  Pharmacophore models to be used in drug design and discovery are provided. An in silico protocol and in vitro assays are presented. Compounds and their pharmaceutically acceptable salts with HIV-1 integrase inhibitory and anti-HIV activity and use thereof in the treatment of HIV/AIDS and related infections either alone or in combination with all the known antiretroviral therapeutics are described.
• US8183236B2
  申请人：——

  公开号：US8183236B2

  公开（公告）日：2012-05-22