(E)-2-(2-(4-IODOPHENOXY)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 OEADRHMMALBVDW-XDJHFCHBSA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1Oc2ccc(I)cc2
InChI
InChI=1S/C16H15IN2O3/c1-18-16(20)15(19-21-2)13-5-3-4-6-14(13)22-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,18,20)/b19-15+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15IN2O3
Molecular Weight 410.21
AlogP 3.17
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 22.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 125 ppm foliar application 24 hr after inoculation on upper surface of leaf by curative manner Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr after inoculation on upper surface of leaf by curative manner Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr after inoculation on upper surface of leaf by curative manner Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 2 ppm foliar application 24 hr after inoculation on upper surface of leaf by curative manner Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 125 ppm foliar application 24 hr after inoculation at 22 +/- 2 degC measured after 3 days by curative manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 31.3 ppm foliar application 24 hr after inoculation at 22 +/- 2 degC measured after 3 days by curative manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr after inoculation at 22 +/- 2 degC measured after 3 days by curative manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 2 ppm foliar application 24 hr after inoculation at 22 +/- 2 degC measured after 3 days by curative manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 125 ppm foliar application 24 hr after inoculation on upper surface of leaf at 23 +/- 2 degC by curative manner Podosphaera fuliginea 50.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 31.3 ppm foliar application 24 hr after inoculation on upper surface of leaf at 23 +/- 2 degC by curative manner Podosphaera fuliginea 50.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 7.8 ppm foliar application 24 hr after inoculation on upper surface of leaf at 23 +/- 2 degC by curative manner Podosphaera fuliginea 50.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control under greenhouse at 2 ppm foliar application 24 hr after inoculation on upper surface of leaf at 23 +/- 2 degC by curative manner Podosphaera fuliginea 50.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 10 ppm submerged application measured after 7 days Magnaporthe oryzae 50.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 2.5 ppm submerged application measured after 7 days Magnaporthe oryzae 50.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 0.63 ppm submerged application measured after 7 days Magnaporthe oryzae 50.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 0.16 ppm submerged application measured after 7 days Magnaporthe oryzae 50.0 %
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 CHEMBL2288552
PubChem 22419004
SureChEMBL SCHEMBL8371622
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