enadoline

Ligand id: 1646

Name: enadoline

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 45.92
Molecular weight 396.24
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
International Nonproprietary Names
INN number INN
7027 enadoline
Synonyms
CI 977 | CI-977 | CI977
Database Links
BindingDB Ligand 50290967
CAS Registry No. 124378-77-4 (source: Scifinder)
ChEMBL Ligand CHEMBL318859
GtoPdb PubChem SID 135650230
PubChem CID 60768
Search Google for chemical match using the InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N
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Search UniChem for chemical match using the InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N
Search UniChem for chemicals with the same backbone JMBYBVLCYODBJQ
Wikipedia Enadoline