RO116-9132/238

Ligand id: 790

Name: RO116-9132/238

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 68.82
Molecular weight 552.24
XLogP 4.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
Database Links
PubChem CID 9915610
Search Google for chemical match using the InChIKey INQAQQXKVUWERW-WXJUUJJFSA-O
Search Google for chemicals with the same backbone INQAQQXKVUWERW
Search UniChem for chemical match using the InChIKey INQAQQXKVUWERW-WXJUUJJFSA-O
Search UniChem for chemicals with the same backbone INQAQQXKVUWERW