compound 2a (+) [PMID: 8709131]   Click here for help

GtoPdb Ligand ID: 3102

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 279.16
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1
Isomeric SMILES OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1
InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2
InChI Key WPCQYFUQHBLGAX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
Database Links Click here for help
ChEMBL Ligand CHEMBL279261
GtoPdb PubChem SID 135649726
PubChem CID 9817140
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