CAY10499   Click here for help

GtoPdb Ligand ID: 12994

Synonyms: CAY-10499
Compound class: Synthetic organic
Comment: CAY10499 is a carbamate-based, non-selective lipase inhibitor, with well documented inhibitory activity at monoacylglycerol lipase (MAGL) and fatty acid amide hydrolase (FAAH) [1-2], and other lipases [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 89.46
Molecular weight 355.35
XLogP 2.37
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CC(=CC=C1NC(=O)OCC2=CC=CC=C2)N3C(=O)OC(=N3)OC
Isomeric SMILES CC1=C(C=CC(=C1)N2C(=O)OC(=N2)OC)NC(=O)OCC3=CC=CC=C3
InChI InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
benzyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]carbamate
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50414921
CAS Registry No. 359714-55-9 (source: PubChem)
ChEBI CHEBI:189802
ChEMBL Ligand CHEMBL570812
GtoPdb PubChem SID 485206115
PubChem CID 9924775
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UniChem Compound Search for chemical match using the InChIKey QTENHWTVRQKWRI-UHFFFAOYSA-N
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