NVP ACQ090

Ligand id: 2076

Name: NVP ACQ090

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 48.91
Molecular weight 526.31
XLogP 5.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(4S,4aS,8aR)-2-[3-(6-methoxypyridin-3-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone
Database Links
PubChem CID 11443899
Search Google for chemical match using the InChIKey RDSAUPRYZCQORM-RIVQXRJNSA-N
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Search UniChem for chemical match using the InChIKey RDSAUPRYZCQORM-RIVQXRJNSA-N
Search UniChem for chemicals with the same backbone RDSAUPRYZCQORM