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Chemical structure of Dual FAAH/sEH-IN-1

GC70904

Dual FAAH/sEH-IN-1

Also known as N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide

Dual FAAH/sEH-IN-1 (compound 3) is a high affinity dual sEH (soluble epoxide hydrolase) and FAAH (fatty acid amide hydrolase) inhibitor, with IC50 values of 9·6 and 7 nM, respectively

ChemicalCAS2756099-59-7MW512.04FormulaC25H22ClN3O3S2
CAS number
2756099-59-7
Molecular weight
512.04
Formula
C25H22ClN3O3S2
InChIKey
NVHVCPVLWHYRRB-UHFFFAOYSA-N
Catalogue number
GC70904
Brand
GLPBIO
Computed properties PubChem CID 163408826 · XLogP 5.1 · TPSA 116 Ų · H-bond donors 1
XLogP
5.1
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

SMILES C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5Cl

Computed descriptors from PubChem (CID 163408826), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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