[3H]A804598

Ligand id: 5408

Name: [3H]A804598    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.1
Molecular weight 315.15
XLogP 5.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-2-cyano-3-[(1S)-1-[(4-3H)phenyl]ethyl]-1-(quinolin-5-yl)guanidine
Synonyms
[3H]A 804598
Database Links
ChEMBL Ligand CHEMBL574539
PubChem CID 45481830
Search Google for chemical match using the InChIKey PQYCRDPLPKGSME-MEVLSXKGSA-N
Search Google for chemicals with the same backbone PQYCRDPLPKGSME
Search UniChem for chemical match using the InChIKey PQYCRDPLPKGSME-MEVLSXKGSA-N
Search UniChem for chemicals with the same backbone PQYCRDPLPKGSME