5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoic 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: 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoic acid
• 英文别名: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid
• 化学式: C₂₁H₁₂ClN₃O₃
• 分子量: 389.8
• InChiKey: YEVARUSXZLMOCC-UKTHLTGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

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.
• PAPD5 INHIBITORS AND METHODS OF USE THEREOF
  申请人：Children`s Medical Center Corporation

  公开号：US20210177827A1

  公开（公告）日：2021-06-17

  The disclosure relates to compounds that are, e.g., PAP Associated Domain Containing 5 (PAPD5) inhibitors and methods of use thereof.
• US8183236B2
  申请人：——

  公开号：US8183236B2

  公开（公告）日：2012-05-22