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Chemical structure of KML 29

GC17385

KML 29

Also known as 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate

KML 29 is reported to display IC50 values of 43, 15, and 5·9 nM toward rat, mouse, and human monoacylglycerol lipase (MAGL), respectively

ChemicalCAS1380424-42-9MW549.42FormulaC24H21F6NO7
CAS number
1380424-42-9
Molecular weight
549.42
Formula
C24H21F6NO7
Solubility
DMSO: 2 mg/ml
InChIKey
SXHQLPHDBLTFPM-UHFFFAOYSA-N
Catalogue number
GC17385
Brand
GLPBIO
Computed properties PubChem CID 71656212 · XLogP 5.1 · TPSA 86.7 Ų · H-bond donors 1
XLogP
5.1
TPSA
86.7 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
5
Heavy atoms
38

SMILES C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC(C(F)(F)F)C(F)(F)F

Computed descriptors from PubChem (CID 71656212), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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