arachidonyl-2-chloroethylamide   Click here for help

GtoPdb Ligand ID: 738

Abbreviated name: ACEA
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 17
Topological polar surface area 29.1
Molecular weight 365.25
XLogP 8.9
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl
InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChI Key SCJNCDSAIRBRIA-DOFZRALJSA-N
References
1. Hillard CJ, Manna S, Greenberg MJ, DiCamelli R, Ross RA, Stevenson LA, Murphy V, Pertwee RG, Campbell WB. (1999)
Synthesis and characterization of potent and selective agonists of the neuronal cannabinoid receptor (CB1).
J Pharmacol Exp Ther, 289 (3): 1427-33. [PMID:10336536]