HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound ZC0

Identifiers

  • Canonical SMILES: 
    Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O)C=C4
  • IUPAC name: 
    1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one
  • InChi: 
    InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
  • InChiKey: 
    SULYVXZZUMRQAX-NSHDSACASA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

25184541 CHEMBL3287379 DB12796

RNA-SM complexes

PDB code Deposition date Reference publication
6wqn April 29, 2020 Wright Alexander, Deane-Alder Kieran, Marschall Edward, Bamert Rebecca, Venugopal Hari, Lithgow Trevor, Lupton David W., Belousoff Matthew J.. . Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM ACS Pharmacology & Translational Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 408.11 g/mol
HBA 7
HBD 1
HBA + HBD
AlogP 2.82
TPSA 87.91
RB 5

Radar chart