compound 17 [PMID: 17125263]

Ligand id: 1306

Name: compound 17 [PMID: 17125263]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 51.79
Molecular weight 485.13
XLogP 7.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(4-chlorophenyl)-3-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]thieno[2,3-e]pyrimidin-4-one
Database Links
BindingDB Ligand 50199266
ChEBI CHEBI:461665
ChEMBL Ligand CHEMBL214523
GtoPdb PubChem SID 135650121
PubChem CID 11994411
Search Google for chemical match using the InChIKey FJPBPFUKHDZYIJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJPBPFUKHDZYIJ
Search UniChem for chemical match using the InChIKey FJPBPFUKHDZYIJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FJPBPFUKHDZYIJ