[(2S,4S,5S)-4-azido-5-hydroxy-6-(hydroxymethyl)-2-methylsulfanyloxan-3-yl] benzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,4S,5S)-4-azido-5-hydroxy-6-(hydroxymethyl)-2-methylsulfanyloxan-3-yl] benzoate
• 化学式: C14H17N3O5S
• 分子量: 339.37
• InChiKey: BJHZJQPNNVZPBP-AYWDATEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• METHOD OF DRUG DESIGN
  申请人：Alchemia Limited

  公开号：US20130172210A1

  公开（公告）日：2013-07-04

  The invention provides a method of identifying biologically active compounds comprising: (a) designing a first library of compounds of formula (1) to scan molecular diversity wherein each compound of the library has at least two pharmacophoric groups R1 to R5 as defined below and wherein compound of the library has same number of pharmacophoric groups; (b) assaying the first library of compounds in one or more biological assay(s); and (c) designing a second library wherein each compound of the second library contains one or more additional pharmacophoric group with respect to the first library; such that the/each component of the first and second library is a compound of formula (1).
• US7737287B2
  申请人：——

  公开号：US7737287B2

  公开（公告）日：2010-06-15
• US8222381B2
  申请人：——

  公开号：US8222381B2

  公开（公告）日：2012-07-17
• US9709571B2
  申请人：——

  公开号：US9709571B2

  公开（公告）日：2017-07-18