1-Ethyl-6-fluoro-4-oxo-7-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-Ethyl-6-fluoro-4-oxo-7-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-ethyl-6-fluoro-4-oxo-7-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
• 化学式: C₂₄H₂₂F₄N₄O₃S
• 分子量: 522.5
• InChiKey: NVVFYXZOZIFYAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF
  申请人：Fred Hutchinson Cancer Research Center

  公开号：US20170305899A1

  公开（公告）日：2017-10-26

  Disclosed herein are compounds and methods for inhibiting bacterial DNA repair enzymes, including AddAB and RecBCD helicase-nucleases. Pharmaceutical compositions and methods for treating a subject with an antibacterial agent are also disclosed herein.
• [EN] ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF<br/>[FR] COMPOSÉS ET COMPOSITIONS ANTIBIOTIQUES, ET PROCÉDÉS D'IDENTIFICATION ASSOCIÉS
  申请人：HUTCHINSON FRED CANCER RES

  公开号：WO2013142628A2

  公开（公告）日：2013-09-26

  Disclosed herein are compounds and methods for inhibiting bacterial DNA repair enzymes, including AddAB and RecBCD helicase-nucleases. Pharmaceutical compositions and methods for treating a subject with an antibacterial agent are also disclosed herein.