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

1985075 - Overview - Compound Synopsis

Synonyms
3TE
Molecular Formula
C22H20N4OS2
InChI
InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
Smiles
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Cross References
UniChem9633263
canSAR1985075
PDBe (Protein Data Bank Europe)3TE
ChEMBLCHEMBL3770903
BindingDB50148781
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 420.107853265.024741549No


Compounds with the same scaffold


Image of compound ID: 1985075
Murko Scaffold Family: 20 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12