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

963228 - Overview - Compound Synopsis

Synonyms
UPX
Molecular Formula
C20H17N7O3
InChI
InChI=1S/C20H17N7O3/c1-12(25-26-20-21-9-10-22-20)13-5-7-15(8-6-13)23-19(28)16-11-14-3-2-4-17(27(29)30)18(14)24-16/h2-11,24H,1H3,(H,23,28)(H2,21,22,26)/b25-12+
Smiles
C/C(=N\Nc1ncc[nH]1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1
Cross References
UniChem27265329
canSAR963228
PDBe (Protein Data Bank Europe)UPX
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 403.1392874043.887641047Yes


Compounds with the same scaffold


Image of compound ID: 963228
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12