N-(3-CHLORO-4,5-DIPROPYNYLOXYPHENYL)-N'-METHOXYFORMAMIDINE

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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 WWHFPJVBJUJTEA-UHFFFAOYSA-N
Smiles CO\N=C\Nc1cc(Cl)c(OCC#C)c(OCC#C)c1
InChI
InChI=1S/C14H13ClN2O3/c1-4-6-19-13-9-11(16-10-17-18-3)8-12(15)14(13)20-7-5-2/h1-2,8-10H,6-7H2,3H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13ClN2O3
Molecular Weight 292.72
AlogP 3.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 52.08
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 50 ppm applied as soil drench 3 days prior to inoculation Cercospora beticola 68.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 200 ppm applied as soil drench 3 days prior to inoculation Cercospora beticola 94.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 3.1 ppm treated as foliar application 7 days prior to inoculation Cercospora beticola 58.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 12.5 ppm treated as foliar application 7 days prior to inoculation Cercospora beticola 80.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 50 ppm treated as foliar application 7 days prior to inoculation Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 200 ppm treated as foliar application 7 days prior to inoculation Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 3.1 ppm 24 hr-post inoculation Cercospora beticola 54.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 12.5 ppm 24 hr-post inoculation Cercospora beticola 91.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 50 ppm 24 hr-post inoculation Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in sugar beet seedlings at 200 ppm 24 hr-post inoculation Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm applied as soil drench 3 days prior to inoculation Botryotinia fuckeliana 6.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm applied as soil drench 3 days prior to inoculation Botryotinia fuckeliana 77.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 3.1 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 31.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 12.5 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 63.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 90.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 3.1 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 91.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 12.5 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-2 infected in compound-treated sugar beet seedlings at 3.1 ppm after 12 days Cercospora beticola 84.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-2 infected in compound-treated sugar beet seedlings at 12.5 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-2 infected in compound-treated sugar beet seedlings at 50 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-2 infected in compound-treated sugar beet seedlings at 200 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in compound-treated sugar beet seedlings at 3.1 ppm after 12 days Cercospora beticola 94.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in compound-treated sugar beet seedlings at 50 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in compound-treated sugar beet seedlings at 12.5 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 infected in compound-treated sugar beet seedlings at 200 ppm after 12 days Cercospora beticola 100.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 20-2 infected in compound-treated sugar beet seedlings at 200 ppm after 12 days Cercospora beticola 0.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 0.8 ppm after 4 days Botryotinia fuckeliana 75.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 3.1 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 12.5 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 0.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 0.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 0.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 7.0 %
Ratio of EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-40 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-40 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-31 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-31 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-31 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-3 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 Botryotinia fuckeliana 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-3 to EC50 for Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-31 Botryotinia fuckeliana 1000.0
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 at 0.001 to 1000 ppm after 3 days by agar dilution method Botryotinia fuckeliana None
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-31 at 0.001 to 1000 ppm after 3 days by agar dilution method Botryotinia fuckeliana None
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 at 0.001 to 1000 ppm after 3 days by agar dilution method Botryotinia fuckeliana None
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-40 at 0.001 to 1000 ppm after 3 days by agar dilution method Botryotinia fuckeliana None
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 20-2 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 20-2 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 20-2 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 20-2 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 20-2 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-11 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-11 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-11 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-11 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-11 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 6-13 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 6-13 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 6-13 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 6-13 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-resistant Cercospora beticola isolate 6-13 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 20-2 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-11 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 6-13 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-sensitive Cercospora beticola isolate 24-3 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-sensitive Cercospora beticola isolate 22-5 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-sensitive Cercospora beticola isolate 18-1 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 28-8 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate Cb-19 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 49-4 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 18-2 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Antifungal activity against Benzimidalzole-sensitive Cercospora beticola isolate 18-1 infected in compound-treated sugar beet seedlings at 200 ppm after 12 days Cercospora beticola 0.0 %
Antifungal activity against Benzimidalzole-resistant Cercospora beticola isolate 1-3 at 0.001 to 1000 ppm after 14 days by agar dilution method Cercospora beticola None
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 24-3 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 24-3 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 24-3 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 24-3 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 24-3 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 22-5 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 22-5 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 22-5 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 22-5 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 22-5 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 49-4 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 100.0 % Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 18-2 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isolate 1-3 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isole 28-8 Cercospora beticola 1000.0
Ratio of EC50 for Benzimidalzole-sensitive Cercospora beticola isolate 18-1 to EC50 for Benzimidalzole-resistant Cercospora beticola isole Cb-19 Cercospora beticola 1000.0

Cross References

Resources Reference
ChEMBL CHEMBL2287065
PubChem 179119
SureChEMBL SCHEMBL2889769
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