compound 36 [PMID: 32429662]   Click here for help

GtoPdb Ligand ID: 11083

Compound class: Synthetic organic
Comment: Compound 36 is reported as a first-in-class reversible inhibitor of monoacylglycerol lipase (MAGL) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.41
Molecular weight 392.13
XLogP 4.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2
Isomeric SMILES Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2
InChI InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)
InChI Key PBXCPFNNNZUANE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 434122144
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