PF3845   Click here for help

GtoPdb Ligand ID: 5243

Synonyms: PF 3845 | PF-3845
PDB Ligand
Compound class: Synthetic organic
Comment: PF3845 is an inhibitor of fatty acid amide hydrolase (FAAH) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 67.35
Molecular weight 456.18
XLogP 4.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1
Isomeric SMILES O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1
InChI InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)
InChI Key NBOJHRYUGLRASX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(pyridin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxamide
Synonyms Click here for help
PF 3845 | PF-3845
Database Links Click here for help
CAS Registry No. 1196109-52-0
ChEMBL Ligand CHEMBL1651524
GtoPdb PubChem SID 178101927
PubChem CID 25154867
RCSB PDB Ligand H2R
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Tocris
PF 3845
Cat. No. 4175