CCT241533

Ligand id: 8044

Name: CCT241533

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 91.85
Molecular weight 442.2
XLogP 2.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6Z)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
Synonyms
CCT-241533
Database Links
CAS Registry No. 1262849-73-9
PubChem CID 49867844
Search Google for chemical match using the InChIKey IXTQNANZDPZION-GSOOIIRJSA-N
Search Google for chemicals with the same backbone IXTQNANZDPZION
Search UniChem for chemical match using the InChIKey IXTQNANZDPZION-GSOOIIRJSA-N
Search UniChem for chemicals with the same backbone IXTQNANZDPZION
Comments
CCT241533 is a Type-1 inhibitor of the protein kinase CHK2 [1]. This compound has been assessed in preclinical investigations.