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

1041000 - Overview - Compound Synopsis

Synonyms
9G5
Molecular Formula
C26H24ClN3O3
InChI
InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
Smiles
CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1
Cross References
UniChem27289683
canSAR1041000
ChEMBLCHEMBL2037200
BindingDB50384714
PDBe (Protein Data Bank Europe)9G5
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 461.1506193084.87041657No


Compounds with the same scaffold


Image of compound ID: 1041000
Murko Scaffold Family: 4 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12