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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL113262
CHEMBL113262
Compound Name METHOXYARACHIDONOYL FLUOROPHOSPHONATE
ChEMBL Synonyms Methylarachidonyl Fluorophosphonate | Methyl Arachidonoyl Fluorophophonate | Methoxyarachidonoyl Fluorophosphonate
Max Phase 0
Trade Names
Molecular Formula C21H36FO2P

Additional synonyms for CHEMBL113262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(=O)(F)OC
Standard InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key KWKZCGMJGHHOKJ-ZKWNWVNESA-N

Structural Alerts

There are 13 structural alerts for CHEMBL113262. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL113262

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
370.5 370.2437 6.6 16 36.11 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.61 7.61 0 25 0.17

Compound Cross References

ChemSpider ChemSpider:KWKZCGMJGHHOKJ-ZKWNWVNESA-N
PubChem SID: 26755762
Wikipedia Methoxy_arachidonyl_fluorophosphonate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL113262



BindinDB 50132713
eMolecules 1935510
MolPort MolPort-003-983-617
Nikkaji J818.124A
PubChem 10429254
PubChem: Thomson Pharma 15448773

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KWKZCGMJGHHOKJ-ZKWNWVNESA-N spacer
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