2-((1-(4-Hydroxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-((1-(4-Hydroxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
• 英文别名: 2-[1-(4-hydroxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
• 化学式: C₁₇H₁₃NO₅S
• 分子量: 343.4
• InChiKey: GAFYIWPWMFLPAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT
  申请人：Errico Peter Joseph

  公开号：US20080015194A1

  公开（公告）日：2008-01-17

  The present invention is directed to methods for developing one or more drugs for one or more targeted therapies and compositions derived therefrom. In accordance with one aspect of the present invention, combinatorial chemistry techniques for use with high throughput screening techniques for identifying small molecule affinity and/or activity interactions are avoided by instead utilizing the natural mechanisms of antigen response to effect a massively parallel screening of naturally occurring molecules against an antigen. Other aspects of the invention provide compositions derived therefrom as well as therapeutic methods of use for the compounds.