[3H]A778317

Ligand id: 4076

Name: [3H]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-(6,8-ditritioisoquinolin-5-yl)urea
Database Links
ChEMBL Ligand CHEMBL1628599
GtoPdb PubChem SID 178100899
PubChem CID 53321936
Search Google for chemical match using the InChIKey VPSCJCQPUGKRNC-ZVVBTKFUSA-N
Search Google for chemicals with the same backbone VPSCJCQPUGKRNC
Search UniChem for chemical match using the InChIKey VPSCJCQPUGKRNC-ZVVBTKFUSA-N
Search UniChem for chemicals with the same backbone VPSCJCQPUGKRNC