URB937   Click here for help

GtoPdb Ligand ID: 11817

Synonyms: URB-937
Compound class: Synthetic organic
Comment: URB937 is a peripherally restricted inhibitor of fatty-acid amide hydrolase (FAAH) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 101.65
Molecular weight 354.16
XLogP 3.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Oc1ccc(c(c1)c1cccc(c1)C(=O)N)O)NC1CCCCC1
Isomeric SMILES C1CCC(CC1)NC(=O)Oc1cc(c(cc1)O)c1cc(ccc1)C(=O)N
InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
InChI Key CMEQHOXCIGFZNJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
Synonyms Click here for help
URB-937
Database Links Click here for help
CAS Registry No. 1357160-72-5 (source: PubChem)
ChEMBL Ligand CHEMBL2402927
GtoPdb PubChem SID 458923852
PubChem CID 53394762
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UniChem Connectivity Search for chemical match using the InChIKey CMEQHOXCIGFZNJ-UHFFFAOYSA-N