A438079

Ligand id: 4118

Name: A438079

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 56.49
Molecular weight 305.02
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[5-(2,3-dichlorophenyl)-1H-1,2,3,4-tetrazol-1-yl]methyl}pyridine
Synonyms
A 438079 | A-438079
Database Links
CAS Registry No. 899507-36-9 (source: Scifinder)
ChEMBL Ligand CHEMBL377219
PubChem CID 11673921
Search Google for chemical match using the InChIKey MMPAULQSJLVKHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MMPAULQSJLVKHP
Search UniChem for chemical match using the InChIKey MMPAULQSJLVKHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MMPAULQSJLVKHP
Comments
A438079 is a P2X7R antagonist.