(E)-2-(METHOXYIMINO)-N-METHYL-2-(2-(PHENOXYMETHYL)PHENYL)ACETAMIDE

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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 KYPNOVKXLBXRJL-KNTRCKAVSA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1COc2ccccc2
InChI
InChI=1S/C17H18N2O3/c1-18-17(20)16(19-21-2)15-11-7-6-8-13(15)12-22-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,18,20)/b19-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N2O3
Molecular Weight 298.34
AlogP 2.6
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 59.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr before inoculation onto the abaxial(untreated) surface of leaf by preventive manner Pseudoperonospora cubensis 90.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr before inoculation onto the adaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 90.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC by curative manner Botryotinia fuckeliana 90.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 31.3 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC by preventive manner Botryotinia fuckeliana 90.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 31.3 ppm foliar application 24 hr after inoculation at 23 +/- 2 degC by curative manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 31.3 ppm foliar application 24 hr before inoculation at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 31.3 ppm foliar application for 48 hr after inoculation by curative manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 7.8 ppm foliar application 48 24 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 125 ppm foliar application for 24 hr before inoculation at 26 +/- 2 degC measured after 5 days by preventive manner Thanatephorus cucumeris 90.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 31.3 ppm foliar application for 24 hr after inoculation at 27 +/- 2 degC measured after 5 days by curative manner Magnaporthe oryzae 90.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 31.3 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 90.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 125 ppm foliar application 24 hr before inoculation on upper surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr before inoculation on upper surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr before inoculation on upper surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 2 ppm foliar application 24 hr before inoculation on upper surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 125 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC measured after 3 days by preventive manner Botryotinia fuckeliana 70.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 31.3 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC measured after 3 days by preventive manner Botryotinia fuckeliana 70.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC measured after 3 days by preventive manner Botryotinia fuckeliana 70.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 2 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC measured after 3 days by preventive manner Botryotinia fuckeliana 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 125 ppm foliar application 24 hr before inoculation on upper surface of leaf at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 31.3 ppm foliar application 24 hr before inoculation on upper surface of leaf at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 7.8 ppm foliar application 24 hr before inoculation on upper surface of leaf at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 2 ppm foliar application 24 hr before inoculation on upper surface of leaf at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 125 ppm foliar application for 24 hr before inoculation at 26 +- 2 measured after 5 days by preventive manner Thanatephorus cucumeris 70.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 31.3 ppm foliar application for 24 hr before inoculation at 26 +- 2 measured after 5 days by preventive manner Thanatephorus cucumeris 70.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 7.8 ppm foliar application for 24 hr before inoculation at 26 +- 2 measured after 5 days by preventive manner Thanatephorus cucumeris 70.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 2 ppm foliar application for 24 hr before inoculation at 26 +- 2 measured after 5 days by preventive manner Thanatephorus cucumeris 70.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 125 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 70.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 31.3 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 70.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 7.8 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 70.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 2 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 70.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2287428
PubChem 19429880
SureChEMBL SCHEMBL8369854
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