(E)-2-(2-(2,5-DIMETHYLPHENOXY)PHENYL)-2-(METHOXYIMINO)-N-METHYLACETAMIDE

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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 YUPFDXACLVOSHJ-LVZFUZTISA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1Oc2cc(C)ccc2C
InChI
InChI=1S/C18H20N2O3/c1-12-9-10-13(2)16(11-12)23-15-8-6-5-7-14(15)17(20-22-4)18(21)19-3/h5-11H,1-4H3,(H,19,21)/b20-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N2O3
Molecular Weight 312.36
AlogP 3.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 59.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Podosphaera fuliginea in cucumber cotyledon assessed as control of powdery mildew measured as width inhibition at 2 ppm treated 24 hr inoculation at 22 +/- 2 degC measured after 10 days by vapour-phase activity test Podosphaera fuliginea None
Fungicidal activity against Podosphaera fuliginea in cucumber cotyledon assessed as control of powdery mildew measured as width inhibition at 7.8 ppm treated 24 hr inoculation at 22 +/- 2 degC measured after 10 days by vapour-phase activity test Podosphaera fuliginea None
Fungicidal activity against W-type Oculimacula yallundae assessed as inhibition of mycelial growth at 20 degC for 14 days in presence of 50 ppm flovone Oculimacula yallundae 0.03 ppm Fungicidal activity against W-type Oculimacula yallundae assessed as inhibition of mycelial growth at 20 degC for 14 days in presence of 50 ppm flovone Oculimacula yallundae 1.0 ppm
Fungicidal activity against W-type Oculimacula yallundae assessed as inhibition of mycelial growth at 20 degC for 14 days Oculimacula yallundae 0.13 ppm Fungicidal activity against W-type Oculimacula yallundae assessed as inhibition of mycelial growth at 20 degC for 14 days Oculimacula yallundae 125.0 ppm
Fungicidal activity against Podosphaera fuliginea in cucumber cotyledon assessed as control of powdery mildew measured as length inhibition at 2 ppm treated 24 hr inoculation at 22 +/- 2 degC measured after 10 days by vapour-phase activity test Podosphaera fuliginea None
Fungicidal activity against Podosphaera fuliginea in cucumber cotyledon assessed as control of powdery mildew measured as length inhibition at 7.8 ppm treated 24 hr inoculation at 22 +/- 2 degC measured after 10 days by vapour-phase activity test Podosphaera fuliginea None
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 0.07 ppm
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 0.06 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 22.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 0.125 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 79.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 0.5 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 94.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 2 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 98.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 7.8 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 100.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici in 2 weeks old wheat seedlings assessed as control of powdery mildew at 31.3 ppm pretreated 24 hr before by foliar application at 22 +/- 2 degC under greenhouse and leaf area measured after 10 days of inoculation Blumeria graminis f. sp. tritici 100.0 %
Inhibition of oxygen consumption in Magnaporthe oryzae submitochondrial particles using NADH substrate Magnaporthe oryzae 18.0 nM
Fungicidal activity against Puccinia coronata inoculated in oat leaves treated with compound 24 hr after fungal inoculation assessed as inhibition of oat crown rust disease at 7.8 ppm measured after 9 days under greenhouse conditions relative to untreated control Puccinia coronata 100.0 %
Fungicidal activity against Puccinia coronata inoculated in oat leaves treated with compound 24 hr after fungal inoculation assessed as inhibition of oat crown rust disease at 31.3 ppm measured after 9 days under greenhouse conditions relative to untreated control Puccinia coronata 100.0 %
Fungicidal activity against Puccinia coronata inoculated in oat leaves pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of oat crown rust disease at 7.8 ppm measured after 9 days under greenhouse conditions relative to untreated control Puccinia coronata 100.0 %
Fungicidal activity against Puccinia coronata inoculated in oat leaves pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of oat crown rust disease at 31.3 ppm measured after 9 days under greenhouse conditions relative to untreated control Puccinia coronata 100.0 %
Fungicidal activity against Botryotinia fuckeliana inoculated on cucumber leaves treated with compound 24 hr after fungal inoculation assessed as inhibition of cucumber gray mold disease at 7.8 ppm measured after 3 days under greenhouse conditions relative to untreated control Botryotinia fuckeliana 40.0 %
Fungicidal activity against Botryotinia fuckeliana inoculated on cucumber leaves treated with compound 24 hr after fungal inoculation assessed as inhibition of cucumber gray mold disease at 31.3 ppm measured after 3 days under greenhouse conditions relative to untreated control Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana inoculated on cucumber leaves pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of cucumber gray mold disease at 7.8 ppm measured after 3 days under greenhouse conditions relative to untreated control Botryotinia fuckeliana 40.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici inoculated on wheat seedlings treated with compound 24 hr after fungal inoculation assessed as inhibition of wheat powdery mildew disease at 7.8 ppm measured after 10 days under greenhouse conditions relative to untreated control Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici inoculated on wheat seedlings treated with compound 24 hr after fungal inoculation assessed as inhibition of wheat powdery mildew disease at 31.3 ppm measured after 10 days under greenhouse conditions relative to untreated control Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Podosphaera fuliginea inoculated on cucumber plants treated with compound 24 hr after fungal inoculation assessed as inhibition of cucumber powdery mildew disease at 7.8 ppm measured after 10 days under greenhouse conditions relative to untreated control Podosphaera fuliginea 100.0 %
Fungicidal activity against Botryotinia fuckeliana inoculated on cucumber leaves pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of cucumber gray mold disease at 31.3 ppm measured after 3 days under greenhouse conditions relative to untreated control Botryotinia fuckeliana 50.0 %
Fungicidal activity against Podosphaera fuliginea inoculated on cucumber plants treated with compound 24 hr after fungal inoculation assessed as inhibition of cucumber powdery mildew disease at 31.3 ppm measured after 10 days under greenhouse conditions relative to untreated control Podosphaera fuliginea 100.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici inoculated on wheat seedlings pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of wheat powdery mildew disease at 31.3 ppm measured after 10 days under greenhouse conditions relative to untreated control Blumeria graminis f. sp. tritici 100.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici inoculated on wheat seedlings pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of wheat powdery mildew disease at 7.8 ppm measured after 10 days under greenhouse conditions relative to untreated control Blumeria graminis f. sp. tritici 100.0 %
Fungicidal activity against Podosphaera fuliginea inoculated on cucumber plants pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of cucumber powdery mildew disease at 31.3 ppm measured after 10 days under greenhouse conditions relative to untreated control Podosphaera fuliginea 100.0 %
Fungicidal activity against Podosphaera fuliginea inoculated on cucumber plants pre-treated with compound 24 hr before fungal inoculation assessed as inhibition of cucumber powdery mildew disease at 7.8 ppm measured after 10 days under greenhouse conditions relative to untreated control Podosphaera fuliginea 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2286693
PubChem 76312896
SureChEMBL SCHEMBL8370539
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