enadoline   Click here for help

GtoPdb Ligand ID: 1646

Synonyms: CI 977 | CI-977 | CI977
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 45.92
Molecular weight 396.24
XLogP 3.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2
Isomeric SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2
InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1
InChI Key JMBYBVLCYODBJQ-HFMPRLQTSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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 Click here for help
INN number INN
7027 enadoline
Synonyms Click here for help
CI 977 | CI-977 | CI977
Database Links Click here for help
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
Search Google for chemicals with the same backbone JMBYBVLCYODBJQ
Search PubMed clinical trials enadoline
Search PubMed titles enadoline
Search PubMed titles/abstracts enadoline
Search UniChem for chemical match using the InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N
Search UniChem for chemicals with the same backbone JMBYBVLCYODBJQ
Wikipedia Enadoline