K-Ras(G12C) inhibitor 9

Ligand id: 8022

Name: K-Ras(G12C) inhibitor 9

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 96.12
Molecular weight 513
XLogP 1.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1-{2-[(4-chloro-5-iodo-2-methoxyphenyl)amino]acetyl}piperidin-4-yl)ethene-1-sulfonamide
Database Links
CAS Registry No. 1469337-91-4 (source: Scifinder)
PubChem CID 71761630
Search Google for chemical match using the InChIKey ZGUSBCDCZNBNQT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZGUSBCDCZNBNQT
Search UniChem for chemical match using the InChIKey ZGUSBCDCZNBNQT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZGUSBCDCZNBNQT
Comments
This compound is a selective allosteric inhibitor of oncogenic KRASG12C [1].