arachidonylcyclopropylamide   Click here for help

GtoPdb Ligand ID: 739

Abbreviated name: ACPA
Synonyms: arachidonyl cyclopropylamide
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 2
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 29.1
Molecular weight 343.29
XLogP 8.68
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChI InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChI Key GLGAUBPACOBAMV-DOFZRALJSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamide
Synonyms Click here for help
arachidonyl cyclopropylamide
Database Links Click here for help
ChEMBL Ligand CHEMBL418353
GtoPdb PubChem SID 135651444
PubChem CID 5311007
Search Google for chemical match using the InChIKey GLGAUBPACOBAMV-DOFZRALJSA-N
Search Google for chemicals with the same backbone GLGAUBPACOBAMV
Search UniChem for chemical match using the InChIKey GLGAUBPACOBAMV-DOFZRALJSA-N
Search UniChem for chemicals with the same backbone GLGAUBPACOBAMV
Wikipedia Arachidonylcyclopropylamide

Product suppliers

View disclaimer

Tocris
ACPA
Cat. No. 1318