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)
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.
Database Links
GtoPdb PubChem SID 178102623
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