2-[[6-[[2-(3-Hydroxypropyl)-5-methylanilino]methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol | 1060744-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[[6-[[2-(3-Hydroxypropyl)-5-methylanilino]methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• CAS: 1060744-38-8
• 化学式: C₂₅H₂₈N₄O₂
• 分子量: 416.523
• InChiKey: CJYBHQQHRCGLKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  83.2
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• METHODS FOR IDENTIFIYING INHIBITORS AGAINST VIRUSES THAT USE A CLASS I FUSION PROTEIN
  申请人：Roymans Dirk André Emmy

  公开号：US20110009408A1

  公开（公告）日：2011-01-13

  The invention concerns the generation of a three dimensional model of the six helix bundle (6HB) complexed with an inhibitor and the use of that model to identify, screen and/or develop inhibitors against viruses that use a class I fusion protein. Such inhibitors of viruses that use a class I fusion protein may be effective for treating, for example, respiratory infections by Respiratory Syncytial Virus (RSV).
• US8898047B2
  申请人：——

  公开号：US8898047B2

  公开（公告）日：2014-11-25