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
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.
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