HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 29H

Identifiers

  • Canonical SMILES: 
    NC1=Nc2ncncc2C(=O)N1
  • IUPAC name: 
    2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one
  • InChi: 
    InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)
  • InChiKey: 
    HHOGMIYMABYION-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

135566862

RNA-SM complexes

PDB code Deposition date Reference publication
4lx6 July 29, 2013 Robinson Christopher J., Vincent Helen A., Wu Ming-Cheng, Lowe Phillip T., Dunstan Mark S., Leys David, Micklefield Jason. . Modular Riboswitch Toolsets for Synthetic Genetic Control in Diverse Bacterial Species Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 163.05 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP -0.70
TPSA 97.55
RB 0

Radar chart