HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound G6V

Identifiers

  • Canonical SMILES: 
    Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)C(Cl)Cl)OC3=O
  • IUPAC name: 
    2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
  • InChi: 
    InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1
  • InChiKey: 
    YEXPTKNKQPHGOQ-NSHDSACASA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

70342725

RNA-SM complexes

PDB code Deposition date Reference publication
6ddd May 10, 2018 Belousoff Matthew J., Venugopal Hari, Wright Alexander, Seoner Samuel, Stuart Isabella, Stubenrauch Chris, Bamert Rebecca S., Lupton David W., Lithgow Trevor. . cryoEM‐Guided Development of Antibiotics for Drug‐Resistant Bacteria ChemMedChem

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 405.07 g/mol
HBA 5
HBD 1
HBA + HBD
AlogP 1.91
TPSA 71.11
RB 5

Radar chart