YM44781

Ligand id: 2121

Name: YM44781

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 52.65
Molecular weight 567.19
XLogP 7.09
No. Lipinski's rules broken 1

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]-4-fluoro-N-methylbenzamide
Synonyms
YM 44781 | YM-44781
Database Links
PubChem CID 10483085
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Search UniChem for chemical match using the InChIKey MIXOPBNZLJBQJH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MIXOPBNZLJBQJH