VU0240382

Ligand id: 6422

Name: VU0240382

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 29.1
Molecular weight 247.1
XLogP 6.18
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(2-phenylethynyl)-1,2,3,4-tetrahydroisoquinolin-1-one
Database Links
ChEMBL Ligand CHEMBL1682799
PubChem CID 51346799
Search Google for chemical match using the InChIKey BOVJHNHRQNCDEQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BOVJHNHRQNCDEQ
Search UniChem for chemical match using the InChIKey BOVJHNHRQNCDEQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BOVJHNHRQNCDEQ