3-amino-12,12-dimethyl-8-morpholin-4-yl-N-pyridin-2-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: 3-amino-12,12-dimethyl-8-morpholin-4-yl-N-pyridin-2-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
• 化学式: C₂₂H₂₅N₅O₃S
• 分子量: 439.5
• InChiKey: URDIWGKPZVYOHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] TRANSCRIPTOME-WIDE DESIGN OF SELECTIVE, BIOACTIVE SMALL MOLECULES TARGETING RNA<br/>[FR] CONCEPTION DANS LE TRANSCRIPTOME DE PETITES MOLÉCULES BIOACTIVES SÉLECTIVES CIBLANT L'ARN
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2015021415A1

  公开（公告）日：2015-02-12

  Methods and computer systems are described herein for identifying small molecules that bind to selected RNA structural features (e.g., to RNA secondary structures). Also described are compounds and compositions that modulate RNA function and/or activity.

  本文描述了用于识别与选定RNA结构特征（例如RNA次级结构）结合的小分子的方法和计算机系统。还描述了调节RNA功能和/或活性的化合物和组合物。
• TRANSCRIPTOME-WIDE DESIGN OF SELECTIVE, BIOACTIVE SMALL MOLECULES TARGETTING RNA
  申请人：The Scripps Research Institute

  公开号：EP3293292A1

  公开（公告）日：2018-03-14

  Methods and computer systems are described herein for identifying small molecules that bind to selected RNA structural features (e.g., to RNA secondary structures). Also described are compounds and compositions that modulate RNA function and/or activity.

  本文描述了识别与所选 RNA 结构特征（如 RNA 二级结构）结合的小分子的方法和计算机系统。还描述了调节 RNA 功能和/或活性的化合物和组合物。
• TRANSCRIPTOME-WIDE DESIGN OF SELECTIVE, BIOACTIVE SMALL MOLECULES TARGETING RNA
  申请人：The Scripps Research Institute

  公开号：US20160188791A1

  公开（公告）日：2016-06-30

  Methods and computer systems are described herein for identifying small molecules that bind to selected RNA structural features (e.g., to RNA secondary structures). Also described are compounds and compositions that modulate RNA function and/or activity.