Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

68848 - Overview - Compound Synopsis

Synonyms
994
Molecular Formula
C23H22N6O3
InChI
InChI=1S/C23H22N6O3/c1-30-18-12-16(13-19(31-2)20(18)32-3)28-23-26-14-25-22(29-23)17-10-7-11-24-21(17)27-15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,27)(H,25,26,28,29)
Smiles
COc1cc(Nc2ncnc(-c3cccnc3Nc3ccccc3)n2)cc(OC)c1OC
Cross References
UniChem411920
canSAR68848
PDBe (Protein Data Bank Europe)994
ChEMBLCHEMBL218057
BindingDB15018
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 430.1753385644.44662954No


Compounds with the same scaffold


Image of compound ID: 68848
Murko Scaffold Family: 8 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12