[3H]enadoline   Click here for help

GtoPdb Ligand ID: 3475

Synonyms: [3H]-CI977 | [3H]-enadoline | [3H]CI-977 | [3H]CI977
 Ligand is labelled  Ligand is radioactive
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
SMILES / InChI / InChIKey
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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
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
Synonyms Click here for help
[3H]-CI977 | [3H]-enadoline | [3H]CI-977 | [3H]CI977
Database Links Click here for help
ChEMBL Ligand CHEMBL318859
GtoPdb PubChem SID 178100466
PubChem CID 60768
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