2-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-5-STYRYL-1,3,4-OXADIAZOLE

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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 NPHFDZPIRXOWPS-BQYQJAHWSA-N
Smiles Cc1nnsc1c2oc(\C=C\c3ccccc3)nn2
InChI
InChI=1S/C13H10N4OS/c1-9-12(19-17-14-9)13-16-15-11(18-13)8-7-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10N4OS
Molecular Weight 270.31
AlogP 2.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 92.94
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Puccinia triticina inoculated on 500 ug/mL compound pre-treated wheat plants with 3 to 5 leaves assessed as growth inhibition Puccinia triticina 20.0 %
Antifungal activity against Ceratobasidium cereale assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Ceratobasidium cereale 0.0 %
Antifungal activity against Botryosphaeria berengeriana assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Botryosphaeria berengeriana 46.0 %
Antifungal activity against Phytophthora infestans assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Phytophthora infestans 20.0 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Rhizoctonia solani 0.0 %
Antifungal activity against Alternaria solani assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Alternaria solani 31.6 %
Antifungal activity against Fusarium oxysporum f. sp. vasinfectum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium oxysporum f. sp. vasinfectum 23.7 %
Antifungal activity against Glomerella cingulata assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Glomerella cingulata 13.8 %
Antifungal activity against Valsa mali assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Valsa mali 20.3 %
Antifungal activity against Alternaria mali assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Alternaria mali 0.0 %
Antifungal activity against Sclerotinia sclerotiorum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Sclerotinia sclerotiorum 0.0 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Botryotinia fuckeliana 0.0 %
Antifungal activity against Villosiclava virens assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Villosiclava virens 0.0 %
Antifungal activity against Fusarium graminearum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium graminearum 36.8 %
Antifungal activity against Mycosphaerella arachidis assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Mycosphaerella arachidis 27.3 %
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium oxysporum 36.3 %
Antifungal activity against Fusarium fujikuroi assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium fujikuroi 21.1 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 500 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2252543
PubChem 44128022
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