compound 2 [PMID: 22560567]

Ligand id: 8115

Name: compound 2 [PMID: 22560567]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 61.36
Molecular weight 279.11
XLogP 4.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-hydroxy-3-methylphenyl)-6-phenyl-1,2-dihydropyrimidin-2-one
Database Links
ChEMBL Ligand CHEMBL501724
GtoPdb PubChem SID 249565795
PubChem CID 6747541
Search Google for chemical match using the InChIKey MHPMAOLCNNEBOA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MHPMAOLCNNEBOA
Search UniChem for chemical match using the InChIKey MHPMAOLCNNEBOA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MHPMAOLCNNEBOA
Comments
Compound 2 was originally reported as a PIM1 kinase inhibitor, and was used as a scaffold for the design of CDC7 inhibitors described in [3].
PubChem CID 6747541 represents an alternative tautomer of this chemical structure.