METAFLUMIZONE

/static/temp/default.svg Search structure
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 MIFOMMKAVSCNKQ-QNKGDIEWSA-N
Smiles FC(F)(F)Oc1ccc(NC(=O)N\N=C(/Cc2ccc(cc2)C#N)\c3cccc(c3)C(F)(F)F)cc1
InChI
InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H16F6N4O2
Molecular Weight 506.4
AlogP 7.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 86.51
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0
Assay Description Organism Bioactivity Reference
Toxicity in Eretmocerus eremicus infested cucumber leaves assessed as mortality at recommended rate after 15 days under green house condition (Rvb = 30%) Eretmocerus eremicus 4.4 %
Toxicity in Eretmocerus eremicus infested cucumber leaves assessed as mortality at recommended rate after 1 day under green house condition (Rvb = 30%) Eretmocerus eremicus 36.8 %
Toxicity in Eretmocerus eremicus infested cucumber leaves assessed as mortality at recommended rate after 8 days under green house condition (Rvb = 30%) Eretmocerus eremicus 37.6 %
Toxicity in Typhlodromips swirskii infested cucumber leaves assessed as mortality at recommended rate after 8 days under green house condition (Rvb = 10%) Typhlodromips swirskii 0.0 %
Toxicity in Typhlodromips swirskii infested cucumber leaves assessed as mortality at recommended rate after 1 day under green house condition (Rvb = 10%) Typhlodromips swirskii 0.0 %
Toxicity in Orius insidiosus infested cucumber leaves assessed as mortality at recommended rate after 1 day under green house condition (Rvb = 15%) Orius insidiosus 0.0 %
Toxicity in Orius insidiosus infested cucumber leaves assessed as mortality at recommended rate after 8 days under green house condition (Rvb = 15%) Orius insidiosus 2.7 %
Toxicity in Eretmocerus eremicus infested green bean leaves assessed as mortality at 2 times of recommended rate at 48 hr by leaf dip method (Rvb = 10%) Eretmocerus eremicus 0.0 %
Toxicity in Eretmocerus eremicus infested green bean leaves assessed as mortality at recommended rate at 48 hr by leaf dip method (Rvb = 10%) Eretmocerus eremicus 0.0 %
Toxicity in Typhlodromips swirskii infested green bean leaves assessed as mortality at recommended rate at 48 hr by leaf dip method (Rvb = 10%) Typhlodromips swirskii 14.5 %
Toxicity in Typhlodromips swirskii infested green bean leaves assessed as mortality at 2 times recommended rate at 48 hr by leaf dip method (Rvb = 10%) Typhlodromips swirskii 8.8 %
Toxicity in Orius insidiosus infested green bean leaves assessed as mortality at 2 times recommended rate at 48 hr by leaf dip method (Rvb = 20%) Orius insidiosus 138.0 %
Toxicity in Orius insidiosus infested green bean leaves assessed as mortality at recommended rate at 48 hr by leaf dip method (Rvb = 20%) Orius insidiosus 69.0 %
Antifeedant activity against third-instar larval stage of Plutella xylostella (diamondback moth) infested compound-treated leaf assessed as reduction in feeding damage at 936 mg a.i/L after 48 hr by leaf disk assay relative to untreated control Plutella xylostella 89.6 %
Antifeedant activity against third-instar larval stage of Plutella xylostella (diamondback moth) infested compound-treated leaf assessed as time required to stop feeding at 936 mg a.i/L after 48 hr by leaf disk assay (Rvb = > 2880 min) Plutella xylostella 362.6 min
Antifeedant activity against third-instar larval stage of Trichoplusia ni (cabbage looper) infested compound-treated leaf assessed as reduction in feeding damage at 936 mg a.i/L after 48 hr by leaf disk assay relative to untreated control Trichoplusia ni 87.6 %
Antifeedant activity against third-instar larval stage of Trichoplusia ni (cabbage looper) infested compound-treated leaf assessed as time required to stop feeding at 936 mg a.i/L after 48 hr by leaf disk assay (Rvb = > 2880 min) Trichoplusia ni 253.8 min
Antifeedant activity against third-instar larval stage of Spodoptera exigua infested compound-treated leaf assessed as time required to stop feeding at 936 mg a.i/L after 48 hr by leaf disk assay (Rvb = > 2880 min) Spodoptera exigua 477.3 min
Antifeedant activity against third-instar larval stage of Spodoptera exigua infested compound-treated leaf assessed as reduction in feeding damage at 936 mg a.i/L after 48 hr by leaf disk assay relative to untreated control Spodoptera exigua 47.4 %
Antifeedant activity against third-instar larval stage of Helicoverpa zea (corn earworm) infested compound-treated leaf assessed as time required to stop feeding at 936 mg a.i/L after 48 hr by leaf disk assay (Rvb = > 2880 min) Helicoverpa zea 617.2 min
Antifeedant activity against third-instar larval stage of Helicoverpa zea (corn earworm) infested compound-treated leaf assessed as reduction in feeding damage at 936 mg a.i/L after 48 hr by leaf disk assay relative to untreated control Helicoverpa zea 57.9 %

Cross References

Resources Reference
ChEMBL CHEMBL2271765
PubChem 11614934
SureChEMBL SCHEMBL617627
ZINC ZINC35939970
CONTENTS