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

1055005 - Overview - Compound Synopsis

Synonyms
16T
Molecular Formula
C22H22ClN3O6S
InChI
InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1
Smiles
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O
Cross References
UniChem27265804
canSAR1055005
PDBe (Protein Data Bank Europe)16T
ChEMBLCHEMBL2331747
BindingDB50428613
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 491.0917841043.022122955Yes


Compounds with the same scaffold


Image of compound ID: 1055005
Murko Scaffold Family: 94 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12