7-{4-[(3,5-Dichloroanilino)carbothioyl]piperazino}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic 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: 7-{4-[(3,5-Dichloroanilino)carbothioyl]piperazino}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
• 英文别名: 7-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• 化学式: C₂₃H₂₁Cl₂FN₄O₃S
• mdl: MFCD05257465
• 分子量: 523.4
• InChiKey: JFLMLALBADHTDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

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

  公开号：US20150126519A1

  公开（公告）日：2015-05-07

  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.