spiradoline

Ligand id: 1653

Name: spiradoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 32.78
Molecular weight 424.17
XLogP 3.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
International Nonproprietary Names
INN number INN
5761 spiradoline
Synonyms
U 62066 | U-62066 | U62066
Database Links
BindingDB Ligand 50000783
CAS Registry No. 87151-85-7 (source: Scifinder)
ChEMBL Ligand CHEMBL70586
PubChem CID 55652
Search Google for chemical match using the InChIKey NYKCGQQJNVPOLU-ONTIZHBOSA-N
Search Google for chemicals with the same backbone NYKCGQQJNVPOLU
Search PubMed clinical trials spiradoline
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Search UniChem for chemical match using the InChIKey NYKCGQQJNVPOLU-ONTIZHBOSA-N
Search UniChem for chemicals with the same backbone NYKCGQQJNVPOLU
Wikipedia Spiradoline