compound 4g [PMID: 17709461]

Ligand id: 3077

Name: compound 4g [PMID: 17709461]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.77
Molecular weight 313.17
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 2-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)phenyl]acetate
Database Links
ChEMBL Ligand CHEMBL478348
GtoPdb PubChem SID 135650240
PubChem CID 44584870
Search Google for chemical match using the InChIKey YWKVMGDEOUPQGN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YWKVMGDEOUPQGN
Search UniChem for chemical match using the InChIKey YWKVMGDEOUPQGN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YWKVMGDEOUPQGN