HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 6GO

Identifiers

  • Canonical SMILES: 
    COc1nc(N)nc2nc[nH]c12
  • IUPAC name: 
    6-methoxy-7H-purin-2-amine
  • InChi: 
    InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
  • InChiKey: 
    BXJHWYVXLGLDMZ-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

65275 CHEMBL226395

RNA-SM complexes

PDB code Deposition date Reference publication
3fo6 Dec. 28, 2008 Gilbert Sunny D., Reyes Francis E., Edwards Andrea L., Batey Robert T.. . Adaptive Ligand Binding by the Purine Riboswitch in the Recognition of Guanine and Adenine Analogs Structure
3ges Feb. 26, 2009 Gilbert Sunny D., Reyes Francis E., Edwards Andrea L., Batey Robert T.. . Adaptive Ligand Binding by the Purine Riboswitch in the Recognition of Guanine and Adenine Analogs Structure

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 165.07 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP -0.06
TPSA 89.71
RB 1

Radar chart