2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide

• 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-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
• 英文别名: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
• 化学式: C₁₃H₁₀F₃N₅O₃S
• 分子量: 373.31
• InChiKey: VQPFZPMDAPBELL-YAXRCOADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE
  申请人：ViroCarb Inc.

  公开号：US20180179166A1

  公开（公告）日：2018-06-28

  Small molecule inhibitors GP120-mediated HIV infections, methods for identifying the same, and methods and uses employing of these compounds in treatment, inhibition or prevention of HIV infection are provided. The compounds have a structure according to Formula (I), and comprise a pharmacophore functionally corresponding with pharmacophore (I) of FIG. 2.
• [EN] SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE<br/>[FR] INHIBITEURS PETITES MOLÉCULES INHIBANT UNE INFECTION À VIH MÉDIÉE PAR GP120 ET MÉTHODES D'UTILISATION
  申请人：VIROCARB INC

  公开号：WO2015143535A1

  公开（公告）日：2015-10-01

  Small molecule inhibitors GP120-mediated HIV infections, methods for identifying the same, and methods and uses employing of these compounds in treatment, inhibition or prevention of HIV infection are provided. The compounds have a structure according to Formula (I), and comprise a pharmacophore functionally corresponding with pharmacophore (I) of Figure 2.