16-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 16-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
• 化学式: C₂₉H₂₀N₆S
• 分子量: 484.6
• InChiKey: HQDWFYYSVXWUIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  97.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Compounds, Compositions and Methods Related to PPAR Antagonists
  申请人：Brown Milton Lang

  公开号：US20130158063A1

  公开（公告）日：2013-06-20

  Disclosed are compounds, compositions and methods related PPAR antagonists. Certain compounds are effective at inhibiting PPARs. The compositions can be used to inhibit PPARs, treat cancer and treat metabolic disorders.
• [EN] COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO PPAR ANTAGONISTS<br/>[FR] COMPOSÉS, COMPOSITIONS ET MÉTHODES ASSOCIÉS AUX ANTAGONISTES DES PPAR
  申请人：UNIV GEORGETOWN

  公开号：WO2012027482A2

  公开（公告）日：2012-03-01

  Disclosed are compounds, compositions and methods related PPAR antagonists. Certain compounds are effective at inhibiting PPARs. The compositions can be used to inhibit PPARs, treat cancer and treat metabolic disorders.