HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 38E

Identifiers

  • Canonical SMILES: 
    CN1C(=NC(=C/c2cc(F)c(O)c(F)c2)\C1=O)C
  • IUPAC name: 
    (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
  • InChi: 
    InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-
  • InChiKey: 
    ZDDIJYXDUBFLID-YHYXMXQVSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

70808995

RNA-SM complexes

PDB code Deposition date Reference publication
4ts2 June 18, 2014 Warner Katherine Deigan, Chen Michael C, Song Wenjiao, Strack Rita L, Thorn Andrea, Jaffrey Samie R, Ferré-D'Amaré Adrian R. . Structural basis for activity of highly efficient RNA mimics of green fluorescent protein Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 252.07 g/mol
HBA 3
HBD 1
HBA + HBD
AlogP 1.90
TPSA 52.90
RB 1

Radar chart