A804598

Ligand id: 4121

Name: 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 5.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyano-2-[(1S)-1-phenylethyl]-3-(quinolin-5-yl)guanidine
Synonyms
A 804598 | A-804598
Database Links
CAS Registry No. 1125758-85-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1628690
GtoPdb PubChem SID 178100943
PubChem CID 53325874
Search Google for chemical match using the InChIKey PQYCRDPLPKGSME-AWEZNQCLSA-N
Search Google for chemicals with the same backbone PQYCRDPLPKGSME
Search UniChem for chemical match using the InChIKey PQYCRDPLPKGSME-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone PQYCRDPLPKGSME