HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 917

Identifiers

  • Canonical SMILES: 
    CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3scnc3
  • IUPAC name: 
    N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
  • InChi: 
    InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1
  • InChiKey: 
    WTZZWIUUAPRUHM-ZDUSSCGKSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

129900336

RNA-SM complexes

PDB code Deposition date Reference publication
5v7q March 20, 2017 Yang Kailu, Chang Jeng-Yih, Cui Zhicheng, Li Xiaojun, Meng Ran, Duan Lijun, Thongchol Jirapat, Jakana Joanita, Huwe Christoph M., Sacchettini James C., Zhang Junjie. . Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 317.08 g/mol
HBA 5
HBD 1
HBA + HBD
AlogP 2.27
TPSA 71.53
RB 4

Radar chart