4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
• 化学式: C₃₁H₅₀O₂
• 分子量: 454.7
• InChiKey: MJRURUDEESYVHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• COMPOUNDS AND METHODS FOR PREVENTION AND TREATMENT OF CORONAVIRUS INFECTIONS
  申请人：ARJIL BIOTECH HOLDING COMPANY LIMITED

  公开号：US20210338690A1

  公开（公告）日：2021-11-04

  The present invention pertains to anti-coronaviral compounds. The disclosure includes a method for preventing and/or treating a coronavirus infection through the inhibition of a cysteine protease in a virus, particularly SARS-COV-2. Also provided includes the composition/pharmaceutical composition for preventing and/or treating a coronavirus infection comprising any of the compounds, pharmaceutically acceptable salt thereof, or its mixture, and the use of the compounds.