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

386826 - Overview - Compound Synopsis

Synonyms
0G7
Molecular Formula
C21H31ClN6O3
InChI
InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1
Smiles
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)CCl
Cross References
UniChem105008
canSAR386826
PDBe (Protein Data Bank Europe)0G7
ChEMBLCHEMBL307440
BindingDB50287780
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 450.2146165320.103377962Yes


Compounds with the same scaffold


Image of compound ID: 386826
Murko Scaffold Family: 698 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12