2-thiophen-2-yl-N-(2,3,3-triphenylpropyl)acetamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-thiophen-2-yl-N-(2,3,3-triphenylpropyl)acetamide
• 化学式: C₂₇H₂₅NOS
• 分子量: 411.6
• InChiKey: OXHYNNUNZJPWEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] NUCLEAR RECEPTOR STRUCTURE<br/>[FR] STRUCTURE DE RECEPTEUR NUCLEAIRE
  申请人：KAROBIO AB

  公开号：WO2003090666A2

  公开（公告）日：2003-11-06

  The present invention is in the fields of biotechnology, protein purification and crystallization, x-ray diffraction analysis, three-dimensional computer molecular modeling and rational drug design. The invention is directed to the glucocorticoid receptor and ligands for this receptor, and in particular to crystalline glucocorticoid receptor (GR) and to methods of identifying ligands utilizing GR, as well as to compounds, compositions and methods for selecting, making, and using therapeutic or diagnostic agents having GR modulating or binding activity.