HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 29G

Identifiers

  • Canonical SMILES: 
    Nc1nc(N)c2cncnc2n1
  • IUPAC name: 
    pyrimido[4,5-d]pyrimidine-2,4-diamine
  • InChi: 
    InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)
  • InChiKey: 
    CEXXKZCAMOMPLI-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

13925348

RNA-SM complexes

PDB code Deposition date Reference publication
4lx5 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 162.07 g/mol
HBA 6
HBD 2
HBA + HBD
AlogP -0.42
TPSA 103.60
RB 0

Radar chart