JNJ40355003   Click here for help

GtoPdb Ligand ID: 9050

Synonyms: compound 23 [PMID: 24900385] [1] | JNJ-40355003 [1]
Compound class: Synthetic organic
Comment: JNJ40355003 is a potent, selective and irreversible inhibitor of fatty acid amide hydrolase (FAAH) [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 57.7
Molecular weight 422.15
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1
Isomeric SMILES Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1
InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
InChI Key CTYVKSQPMCSUOR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide
Synonyms Click here for help
compound 23 [PMID: 24900385] [1] | JNJ-40355003 [1]
Database Links Click here for help
BindingDB Ligand 50394620
CAS Registry No. 1394894-41-7 (source: PubChem)
ChEMBL Ligand CHEMBL2164602
GtoPdb PubChem SID 315661135
PubChem CID 46863664
Search Google for chemical match using the InChIKey CTYVKSQPMCSUOR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CTYVKSQPMCSUOR
Search UniChem for chemical match using the InChIKey CTYVKSQPMCSUOR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CTYVKSQPMCSUOR