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

82119 - Overview - Compound Synopsis

Synonyms
985
Molecular Formula
C19H22N4O2
InChI
InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
Smiles
CN1CCCN(c2cncc(-c3cccc(/C=C/C(=O)O)c3)n2)CC1
Cross References
UniChem587608
canSAR82119
PDBe (Protein Data Bank Europe)985
ChEMBLCHEMBL493937
BindingDB28394
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 338.1742759442.38331647Yes


Compounds with the same scaffold


Image of compound ID: 82119
Murko Scaffold Family: 7 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12