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

1055592 - Overview - Compound Synopsis

Synonyms
1BE
Molecular Formula
C24H27ClN4O2S
InChI
InChI=1S/C24H27ClN4O2S/c1-4-5-21-18(19(13-32-21)15-11-26-27-12-15)9-20(23(30)31)28-22-17-7-6-16(25)8-14(17)10-24(2,3)29-22/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t20-/m0/s1
Smiles
CCCc1scc(-c2cn[nH]c2)c1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O
Cross References
UniChem31961702
canSAR1055592
PDBe (Protein Data Bank Europe)1BE
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 470.1543247845.11093659No


Compounds with the same scaffold


Image of compound ID: 1055592
Murko Scaffold Family: 6 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12