2-[[3-[(2-Carboxy-4-methylphenyl)carbamoyl]benzoyl]amino]-5-methylbenzoic acid

• 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-[[3-[(2-Carboxy-4-methylphenyl)carbamoyl]benzoyl]amino]-5-methylbenzoic acid
• 化学式: C₂₄H₂₀N₂O₆
• 分子量: 432.4
• InChiKey: WIWUKVPAJZLOCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  6

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