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

1103694 - Overview - Compound Synopsis

Synonyms
I29
Molecular Formula
C27H34Cl2N4O3S
InChI
InChI=1S/C27H34Cl2N4O3S/c1-20-30-26(2,21-6-10-23(28)11-7-21)27(3,22-8-12-24(29)13-9-22)33(20)25(34)32-17-15-31(16-18-32)14-5-19-37(4,35)36/h6-13H,5,14-19H2,1-4H3/t26-,27+/m0/s1
Smiles
CC1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1
Cross References
UniChem34729419
canSAR1103694
PDBe (Protein Data Bank Europe)I29
ChEMBLCHEMBL2407613
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 564.1728673085.03030771No


Compounds with the same scaffold


Image of compound ID: 1103694
Murko Scaffold Family: 28 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12