PHOXIM

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Synonyms
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 ATROHALUCMTWTB-WYMLVPIESA-N
Smiles CCOP(=S)(OCC)O\N=C(/C#N)\c1ccccc1
InChI
InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15N2O3PS
Molecular Weight 298.3
AlogP 3.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 105.74
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 819.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 119.0 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN7 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 131.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN7 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 41.8 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN8 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 105.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN8 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 40.3 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN4 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 94.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN4 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 39.6 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 107.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 34.8 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 181.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 33.3 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 124.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 33.3 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 56.4 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 29.2 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN5 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 83.8 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN5 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 25.7 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 101.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 25.3 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 86.5 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 22.0 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN6 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 72.0 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN6 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 21.3 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 65.3 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 20.9 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 57.3 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta YN1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 20.4 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 36.9 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ3 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 19.0 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ4 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 51.7 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ4 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 18.4 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 33.5 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta AH2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 16.7 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 62.2 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta FJ1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 16.7 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ5 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 33.7 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta GZ5 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 16.6 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta SD2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 50.5 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta SD2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 17.2 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta SD1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 26.5 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta SD1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 11.9 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HB2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 37.4 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HB2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 11.8 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HN1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 23.1 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HN1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 10.5 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HN2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 19.9 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HN2 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 8.22 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HB1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 18.8 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta HB1 at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 8.16 mg.kg-1
Insecticidal activity against sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 5.54 ug/g Insecticidal activity against sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l after 48 hr by chi-squared analysis Helicoverpa assulta 2.34 mg.kg-1
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta AH1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 50.8
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN7 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 17.9
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN8 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 17.2
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN4 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 16.9
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 14.9
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta AH3 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 14.3
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta GZ1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 14.3
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN3 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 12.5
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN5 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 11.0
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta GZ2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 10.8
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta FJ2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 9.41
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN6 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 9.17
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta GZ3 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 8.94
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta YN1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 8.72
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta FJ3 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 8.15
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta GZ4 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 7.89
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta AH2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 7.13
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta FJ1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 7.13
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta GZ5 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 7.1
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta SD2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 7.37
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta SD1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 5.09
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta HB2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 5.04
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta HN1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 4.5
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta HN2 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 3.51
Resistance factor, ratio of LD50 for sixth-instar larvae of Helicoverpa assulta HB1 to LD50 for sixth-instar larvae of Helicoverpa assulta at 39 to 12630 mg/l Helicoverpa assulta 3.49
Risk quotient, recommended field rate (g/ha) to LC50 for Trichogramma nubilale (mg/L) Trichogramma nubilale 3857.0
Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 1.35 mgAi/L Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 0.14 mgAi/L
Insecticidal activity against Apolygus lucorum after 24 hr by larvae-dipping method Apolygus lucorum 0.00789 ug.mL-1
Insecticidal activity against Ostrinia furnacalis (Asian corn borer) after 24 hr by larvae-dipping method Ostrinia furnacalis 0.0853 ug.mL-1
Insecticidal activity against Pieris rapae after 24 hr by larvae-dipping method Pieris rapae 0.0088 ug.mL-1
Toxicity in Rattus norvegicus Sprague-Dawley (rat) assessed as mortality measured after 24 hr administered orally through force feeding method Rattus norvegicus 1200.0 mg.kg-1
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 35 degC Apolygus lucorum 1.14
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 30 degC Apolygus lucorum 1.01
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 25 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC Apolygus lucorum 1.2
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 20 degC Apolygus lucorum 1.27
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 35 degC Apolygus lucorum 173.53 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 30 degC Apolygus lucorum 196.5 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 25 degC Apolygus lucorum 237.93 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 20 degC Apolygus lucorum 156.17 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 15 degC Apolygus lucorum 198.24 ug.mL-1
Resistance ratio, ratio of LC50 for third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) to LC50 for third-instar larvae of fufenozide-susceptible Plutella xylostella Plutella xylostella 1.58
Insecticidal activity against third-instar larvae of fufenozide-susceptible Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 101.8 ug.mL-1
Insecticidal activity against third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 161.2 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL1906626
PubChem 9570290
SureChEMBL SCHEMBL591312
ZINC ZINC02018990
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