AZOXYSTROBIN

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII NYH7Y08IPM
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key WFDXOXNFNRHQEC-GHRIWEEISA-N
Smiles CO\C=C(\C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17N3O5
Molecular Weight 403.39
AlogP 3.87
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 8.0
Polar Surface Area 103.56
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Blumeria graminis
- - - - 60-100
Botryotinia fuckeliana
- - - - 80
Magnaporthe oryzae
- - - - 95-100
Phytophthora capsici
- - - - 71.65-86.76
Phytophthora parasitica
- - - - 37.9
Pseudoperonospora cubensis
- - - - 95-100
Rhizoctonia solani
- - - - 84.86-89.03
Sclerotinia sclerotiorum
- - - - 100
Sus scrofa
- - - 297.6 -
Valsa mali
- - - - 92

Cross References

Resources Reference
ChEMBL CHEMBL230001
FDA SRS NYH7Y08IPM
PDB AZO
PubChem 3034285
SureChEMBL SCHEMBL18823
ZINC ZINC13827839
CONTENTS