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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34474
CHEMBL34474
Compound Name DICLOFOP-METHYL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14Cl2O4

Additional synonyms for CHEMBL34474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Standard InChI InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22 ...
Download InChI
Standard InChI Key BACHBFVBHLGWSL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34474

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
341.2 340.0269 4.73 5 44.76 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.32 5.32 2 22 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL34474. To view alerts please click here.

Compound Cross References

HRAC A - INHIBITION OF ACETYL COA CARBOXYLASE (ACCASE)
A1 - ARYLOXYPHENOXY-PROPIONATE 'FOPS'
A13 - DICLOFOP-METHYL
ChemSpider ChemSpider:BACHBFVBHLGWSL-UHFFFAOYSA-N
PubChem SID: 144211096 SID: 26757265

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34474



ACToR 51338-27-3 51142-56-4
Brenda 119157 129351
ChEBI 4510
DrugBank DB13918
eMolecules 509730
EPA CompTox Dashboard DTXSID0032605
IBM Patent System 24FBE48A2735563D78BDD56CB16DFDD0
KEGG Ligand C11021
Mcule MCULE-2962221360
Nikkaji J11.840K
PubChem 39985
PubChem: Thomson Pharma 14875709
SureChEMBL SCHEMBL55275

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