AZOXYSTROBIN

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Search structure


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 ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	WFDXOXNFNRHQEC-LGMDPLHJSA-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
Hydrogen Bond Donor	0.0
Number of Rotational Bond	8.0
Polar Surface Area	103.56
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Assay Description	Organism	Bioactivity	Reference
Fungicidal activity against Rhizoctonia solani assessed as level-4 black scurf infected potato Nicola progeny tubers using in-furrow application of 25% active ingredient containing compound under field trial conditions (Rvb = 59.7%)	Rhizoctonia solani	0.01 %
Fungicidal activity against Rhizoctonia solani assessed as level-4 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds and in-furrow compound application under field trial conditions (Rvb = 59.7%)	Rhizoctonia solani	0.01 %
Fungicidal activity against Rhizoctonia solani assessed as level-4 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds under field trial conditions (Rvb = 59.7%)	Rhizoctonia solani	10.0 %
Fungicidal activity against Rhizoctonia solani assessed as level-3 black scurf infected potato Nicola progeny tubers using in-furrow application of 25% active ingredient containing compound under field trial conditions (Rvb = 22.4%)	Rhizoctonia solani	69.0 %
Fungicidal activity against Rhizoctonia solani assessed as level-3 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds and in-furrow compound application under field trial conditions (Rvb = 22.4%)	Rhizoctonia solani	0.01 %
Fungicidal activity against Rhizoctonia solani assessed as level-3 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds under field trial conditions (Rvb = 22.4%)	Rhizoctonia solani	0.01 %
Fungicidal activity against Rhizoctonia solani assessed as level-2 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds under field trial conditions (Rvb = 17.9%)	Rhizoctonia solani	90.0 %
Fungicidal activity against Rhizoctonia solani assessed as level-2 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds and in-furrow compound application under field trial conditions (Rvb = 17.9%)	Rhizoctonia solani	83.3 %
Fungicidal activity against Rhizoctonia solani assessed as level-2 black scurf infected potato Nicola progeny tubers using in-furrow application of 25% active ingredient containing compound under field trial conditions (Rvb = 17.9%)	Rhizoctonia solani	31.0 %
Fungicidal activity against Rhizoctonia solani assessed as level-1 black scurf infected potato Nicola progeny tubers using in-furrow application of 25% active ingredient containing compound under field trial conditions (Rvb = 0.0%)	Rhizoctonia solani	0.01 %
Fungicidal activity against Rhizoctonia solani assessed as level-1 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds and in-furrow compound application under field trial conditions (Rvb = 0.0%)	Rhizoctonia solani	16.7 %
Fungicidal activity against Rhizoctonia solani assessed as level-1 black scurf infected potato Nicola progeny tubers using 25% active ingredient containing compound treated potato seeds under field trial conditions (Rvb = 0.0%)	Rhizoctonia solani	0.01 %

Cross References

Resources	Reference
ChEMBL	CHEMBL2286759
PubChem	6537969
SureChEMBL	SCHEMBL4447188

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).