compound 1l [PMID: 16644217]

Ligand id: 8810

Name: compound 1l [PMID: 16644217]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 110.57
Molecular weight 373.16
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Database Links
ChEMBL Ligand CHEMBL209855
GtoPdb PubChem SID 252827468
PubChem CID 44413322
Search Google for chemical match using the InChIKey BEXZJJQVPWJPOA-VOTSOKGWSA-N
Search Google for chemicals with the same backbone BEXZJJQVPWJPOA
Search UniChem for chemical match using the InChIKey BEXZJJQVPWJPOA-VOTSOKGWSA-N
Search UniChem for chemicals with the same backbone BEXZJJQVPWJPOA
Comments
Compound 1l potently inhibits the fatty acid transport protein 4 (SLC27A4) [1].