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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 Methoxyarachidonoyl Fluorophosphonate | Methyl Arachidonoyl Fluorophophonate | Methylarachidonyl 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

Sources

  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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



BindingDB 50132713
Brenda 196833 71786 147097 147096 159587 206574 2443 38557 196857 71274 38319 159586
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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