KN-62

Ligand id: 6001

Name: KN-62

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 148.08
Molecular weight 721.2
XLogP 7.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
S-(isoquinolin-5-yl)-3-(4-{[(isoquinolin-5-yloxy)sulfanyl]peroxy}phenyl)-N-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)propane-2-sulfonamido
Synonyms
KN-62 (non-isomeric)
Database Links
PubChem CID 16760529
Search Google for chemical match using the InChIKey BLLBARDQJSOSJD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLLBARDQJSOSJD
Search UniChem for chemical match using the InChIKey BLLBARDQJSOSJD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLLBARDQJSOSJD
Comments
The details of the screens using this compound specify that the non-isomeric form shown above was used. The commercially available compound is generally the stereoisomer shown in our record with KN62.