(2S)-2-[7,9-dimethyl-2-[5-(1-methylindazol-5-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: (2S)-2-[7,9-dimethyl-2-[5-(1-methylindazol-5-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• 化学式: C₃₅H₃₆N₆O₄
• 分子量: 604.7
• InChiKey: XHKOQAWDEHRAIV-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT
  申请人：Shionogi & Co., Ltd.

  公开号：US20170107234A1

  公开（公告）日：2017-04-20

  The present invention provides the following compound having anti-HIV activity of formula: wherein, A 1 is C, CR 1A or N; A 2 is C, CR 2A , or N; A 3 is CR 3A , CR 3A R 3B , N, NR 3C , O, S, SO, or SO 2 ; A 4 is CR 4A , CR 4A R 4B , N, NR 4 C, O, S, SO, or SO2; A 5 is C, CR 5A , or N; T 1 ring is substituted or unsubstituted monocyclic carbocycle or substituted or unsubstituted monocyclic heterocycle; R 1 is halogen, cyano, nitro or —X 1 —R 11 ; R 2 is substituted or unsubstituted alkyl and the like; n is 1 or 2; R 3 is hydrogen, substituted or unsubstituted aromatic carbocyclyl; R 4 is hydrogen or a carboxy protecting group; the other symbols are as specified in the description.
• US9975906B2
  申请人：——

  公开号：US9975906B2

  公开（公告）日：2018-05-22