YM44778

Ligand id: 2120

Name: YM44778

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 80.34
Molecular weight 639.23
XLogP 5.8
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-3,4,5-trimethoxy-N-methylbenzamide
Synonyms
YM-44778
Database Links
PubChem CID 9852373
Search Google for chemical match using the InChIKey RMRHFQVHSFCBEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RMRHFQVHSFCBEO
Search UniChem for chemical match using the InChIKey RMRHFQVHSFCBEO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RMRHFQVHSFCBEO