A778317

Ligand id: 4120

Name: A778317

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 54.02
Molecular weight 359.2
XLogP 6.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-isoquinolin-5-ylurea
Synonyms
A 778317 | A-778317
Database Links
CAS Registry No. 808756-64-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1628687
PubChem CID 17757384
Search Google for chemical match using the InChIKey VPSCJCQPUGKRNC-OAQYLSRUSA-N
Search Google for chemicals with the same backbone VPSCJCQPUGKRNC
Search UniChem for chemical match using the InChIKey VPSCJCQPUGKRNC-OAQYLSRUSA-N
Search UniChem for chemicals with the same backbone VPSCJCQPUGKRNC