enadoline   Click here for help

GtoPdb Ligand ID: 1646

Synonyms: CI 977 | CI-977 | CI977
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand enadoline
Other databases
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
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UniChem Compound Search for chemical match using the InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N
UniChem Connectivity Search for chemical match using the InChIKey JMBYBVLCYODBJQ-HFMPRLQTSA-N
Wikipedia Enadoline