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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL230001
CHEMBL230001
Compound Name AZOXYSTROBIN
ChEMBL Synonyms DNDI1511705
Max Phase 0
Trade Names
Molecular Formula C22H17N3O5

Additional synonyms for CHEMBL230001 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\C=C(\C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
Standard InChI InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16 ...
Download InChI
Standard InChI Key WFDXOXNFNRHQEC-GHRIWEEISA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)
  • GSK Malaria Screening
  • MMV Pathogen Box
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL230001

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
403.4 403.1168 3.87 8 103.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.68 5.68 3 30 0.32

Structural Alerts

There are 7 structural alerts for CHEMBL230001. To view alerts please click here.

Compound Cross References

FRAC C - RESPIRATION
C3 - COMPLEX III: CYTOCHROME BC1 (UBIQUINOL OXIDASE) AT QO SITE (CYT B GENE)
C311 - QOI-FUNGICIDES (QUINONE OUTSIDE INHIBITORS)
C311A - METHOXY-ACRYLATES
C311A1 - AZOXYSTROBIN
ChemSpider ChemSpider:WFDXOXNFNRHQEC-GHRIWEEISA-N
PubChem SID: 144214048 SID: 26757224
Wikipedia Azoxystrobin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL230001



ACToR 131860-33-8
Brenda 25430
ChEBI 40909
DrugBank DB07401
eMolecules 510994
EPA CompTox Dashboard DTXSID0032520
FDA SRS NYH7Y08IPM
KEGG Ligand C18558
MolPort MolPort-005-932-928
Nikkaji J588.357A
PDBe AZO
PubChem 3034285
PubChem: Thomson Pharma 15966336
SureChEMBL SCHEMBL18823
ZINC ZINC000013827839

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