HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound 2ZZ

Identifiers

  • Canonical SMILES:
    CN1C(=NC(=C/c2cccc(Br)c2)\C1=O)C
  • IUPAC name:
    (5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
  • InChi:
    InChI=1S/C12H11BrN2O/c1-8-14-11(12(16)15(8)2)7-9-4-3-5-10(13)6-9/h3-7H,1-2H3/b11-7-
  • InChiKey:
    GMGJCAXSTZCSRA-XFFZJAGNSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


137348109

RNA-SM complexes

PDB code Deposition date Reference publication
4q9q May 1, 2014 Huang Hao, Suslov Nikolai B, Li Nan-Sheng, Shelke Sandip A, Evans Molly E, Koldobskaya Yelena, Rice Phoebe A, Piccirilli Joseph A. . A G-quadruplex–containing RNA activates fluorescence in a GFP-like fluorophore Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 278.01 g/mol
HBA 2
HBD 0
HBA + HBD
AlogP 2.68
TPSA 32.67
RB 1

Radar chart