A425619

Ligand id: 4117

Name: A425619

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 54.02
Molecular weight 345.11
XLogP 4.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(isoquinolin-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}urea
Synonyms
A 425619 | A-425619
Database Links
CAS Registry No. 581809-67-8 (source: Scifinder)
ChEMBL Ligand CHEMBL104028
PubChem CID 8068410
Search Google for chemical match using the InChIKey SJGVXVZUSQLLJB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SJGVXVZUSQLLJB
Search UniChem for chemical match using the InChIKey SJGVXVZUSQLLJB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SJGVXVZUSQLLJB