R547

Ligand id: 5707

Name: R547

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 135.89
Molecular weight 441.13
XLogP 1.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
Synonyms
R-547 | Ro 4584820
Database Links
CAS Registry No. 741713-40-6
ChEMBL Ligand CHEMBL384304
PubChem CID 6918852
RCSB PDB Ligand LIA
Search Google for chemical match using the InChIKey JRNJNYBQQYBCLE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JRNJNYBQQYBCLE
Search UniChem for chemical match using the InChIKey JRNJNYBQQYBCLE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JRNJNYBQQYBCLE
Comments
R547 is an inhibitor of cyclin-dependent kinases (CDK), with selectivity for CDK1, 2 and 4 [2].