BIA 10-2639   Click here for help

GtoPdb Ligand ID: 9603

Compound class: Synthetic organic
Comment: BIA 10-2639 is a confirmed metabolite of the irreversible FAAH inhibitor BIA 10-2474, in which the N-oxide of BIA 10-2474 has been reduced to a pyridine [1].
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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 4
Topological polar surface area 51.02
Molecular weight 284.16
XLogP 1.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1
Isomeric SMILES CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1
InChI InChI=1S/C16H20N4O/c1-19(14-7-3-2-4-8-14)16(21)20-11-15(18-12-20)13-6-5-9-17-10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
InChI Key DWCWWJONKWHPDD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-cyclohexyl-N-methyl-4-pyridin-3-ylimidazole-1-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 340590233
PubChem CID 66554294
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