compound 2t [PMID: 2296036]

Ligand id: 2972

Name: compound 2t [PMID: 2296036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.31
Molecular weight 398.2
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL2368190
GtoPdb PubChem SID 135649811
PubChem CID 73348335
Search Google for chemical match using the InChIKey UTOIEVWJKDLJGE-AQRBRUGDSA-N
Search Google for chemicals with the same backbone UTOIEVWJKDLJGE
Search UniChem for chemical match using the InChIKey UTOIEVWJKDLJGE-AQRBRUGDSA-N
Search UniChem for chemicals with the same backbone UTOIEVWJKDLJGE