example 13 [WO2009109743]   Click here for help

GtoPdb Ligand ID: 9077

Compound class: Synthetic organic
Comment: This is one of the fatty acid amide hydrolase 1 (FAAH) inhibitor compounds claimed in patent WO2009109743 [2]. FAAH inhibitors are being investigated for their potential analgesic action.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 80.24
Molecular weight 347.14
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1
Isomeric SMILES O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1
InChI InChI=1S/C19H17N5O2/c25-19(22-17-7-4-10-21-23-17)24-12-16(13-24)26-18-9-8-15(11-20-18)14-5-2-1-3-6-14/h1-11,16H,12-13H2,(H,22,23,25)
InChI Key VSQUREFTKYDATG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(5-phenylpyridin-2-yl)oxy-N-pyridazin-3-ylazetidine-1-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 315661162
PubChem CID 44199427
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