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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

Structural Alerts

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

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

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
ChEBI 40909
DrugBank DB07401
eMolecules 510994
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 ZINC13827839

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