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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1864569
CHEMBL1864569
Compound Name FLUAZIFOP-P-BUTYL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20F3NO4

Additional synonyms for CHEMBL1864569 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Standard InChI InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9- ...
Download InChI
Standard InChI Key VAIZTNZGPYBOGF-CYBMUJFWSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1864569

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
383.4 383.1344 5 8 57.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .78 5.03 5.03 2 27 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL1864569. To view alerts please click here.

Compound Cross References

HRAC A - INHIBITION OF ACETYL COA CARBOXYLASE (ACCASE)
A1 - ARYLOXYPHENOXY-PROPIONATE 'FOPS'
A15 - FLUAZIFOP-P-BUTYL
ChemSpider ChemSpider:VAIZTNZGPYBOGF-CYBMUJFWSA-N
PubChem SID: 144211510 SID: 26757130 SID: 26757699

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1864569



ACToR 79241-46-6
Brenda 173458
ChEBI 132964
eMolecules 30513277
EPA CompTox Dashboard DTXSID0034855
FDA SRS N99K0AJ91S
IBM Patent System 61CF31333F92DAF444D1BC570ED532D7
Nikkaji J491.291H
PubChem 3033674
PubChem: Thomson Pharma 124399478
SureChEMBL SCHEMBL55176
ZINC ZINC000001532125

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