OXAMYL

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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 KZAUOCCYDRDERY-UITAMQMPSA-N
Smiles CNC(=O)O\N=C(/SC)\C(=O)N(C)C
InChI
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N3O3S
Molecular Weight 219.26
AlogP 0.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 96.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Caenorhabditis elegans assessed as immobility Caenorhabditis elegans 180.0 ppm
Nematicidal activity against Ditylenchus myceliophagus assessed as immobility Ditylenchus myceliophagus 150.0 ppm
Toxicity in Rattus norvegicus (rat) Rattus norvegicus 3.1 mg kg-1
Nematocidal activity against Aphelenchoides besseyi assessed as mortality after 24 hr Aphelenchoides besseyi 0.1 ug.mL-1
Nematocidal activity against Meloidogyne incognita (root-knot nematode) assessed as mortality after 24 hr Meloidogyne incognita 0.07 ug.mL-1
Phytotoxicity in Phaseolus lunatus (lima bean) root assessed as root dry weight at 2.24 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 0.36 +/- 0.071 g) Phaseolus lunatus 0.6 g
Phytotoxicity in Phaseolus lunatus (lima bean) root assessed as root dry weight at 1.12 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 0.36 +/- 0.071 g) Phaseolus lunatus 0.35 g
Phytotoxicity in Phaseolus lunatus (lima bean) plant assessed as plant dry weight at 2.24 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 1.20 +/- 0.21 g) Phaseolus lunatus 1.79 g
Phytotoxicity in Phaseolus lunatus (lima bean) plant assessed as plant dry weight at 1.12 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 1.20 +/- 0.21 g) Phaseolus lunatus 1.48 g
Phytotoxicity in Phaseolus lunatus (lima bean) plant assessed as emergence at 2.24 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 70 +/- 16%) Phaseolus lunatus 70.0 %
Phytotoxicity in Phaseolus lunatus (lima bean) plant assessed as emergence at 1.12 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 70 +/- 16%) Phaseolus lunatus 80.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as root dry weight at 1.12 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 0.5 +/- 0.052 g) Meloidogyne incognita 0.41 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as root dry weight at 0.56 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 0.5 +/- 0.052 g) Meloidogyne incognita 0.31 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as shoot dry weight at 1.12 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 1.84 +/- 0.18 g) Meloidogyne incognita 1.49 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as shoot dry weight at 0.56 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 1.84 +/- 0.18 g) Meloidogyne incognita 1.09 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as reduction in root gall index at 1.12 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 7 +/- 0.27%) Meloidogyne incognita 0.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as reduction in root gall index at 0.56 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 7 +/- 0.27%) Meloidogyne incognita 0.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as emergence at 1.12 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 83 +/- 5%) Meloidogyne incognita 100.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected lima bean plant assessed as emergence at 0.56 kg ai/ha applied to soil measured during planting under green house conditions (Rvb = 83 +/- 5%) Meloidogyne incognita 83.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root dry weight at 1.68 kg ai/ha applied to soil measured up to 14 days post planting under green house conditions (Rvb = 0.25 +/- 0.041 g) Meloidogyne incognita 0.29 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root dry weight at 1.12 kg ai/ha applied to soil measured up to 7 days post planting under green house conditions (Rvb = 0.25 +/- 0.041 g) Meloidogyne incognita 0.31 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root dry weight at 0.56 kg ai/ha applied to soil under green house conditions (Rvb = 0.25 +/- 0.041 g) Meloidogyne incognita 0.17 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root fresh weight at 1.68 kg ai/ha applied to soil measured up to 14 days post planting under green house conditions (Rvb = 1.83 +/- 0.3 g) Meloidogyne incognita 1.76 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root fresh weight at 1.12 kg ai/ha applied to soil measured up to 7 days post planting under green house conditions (Rvb = 1.83 +/- 0.3 g) Meloidogyne incognita 1.61 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as root fresh weight at 0.56 kg ai/ha applied to soil under green house conditions (Rvb = 1.83 +/- 0.3 g) Meloidogyne incognita 1.36 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as plant fresh weight at 1.68 kg ai/ha applied to soil measured up to 7 days post planting under green house conditions (Rvb = 4.3 +/- 0.56 g) Meloidogyne incognita 7.1 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as plant fresh weight at 1.12 kg ai/ha applied to soil measured up to 7 days post planting under green house conditions (Rvb = 4.3 +/- 0.56 g) Meloidogyne incognita 6.0 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as plant fresh weight at 0.56 kg ai/ha applied to soil under green house conditions (Rvb = 4.3 +/- 0.56 g) Meloidogyne incognita 4.4 g
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as reduction in root gall index at 1.68 kg ai/ha applied to soil measured up to 14 days post planting under green house conditions (Rvb = 9.7 +/- 0.30%) Meloidogyne incognita 0.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as reduction in root gall index at 1.12 kg ai/ha applied to soil measured up to 7 days post planting under green house conditions (Rvb = 9.7 +/- 0.30%) Meloidogyne incognita 0.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as reduction in root gall index at 0.56 kg ai/ha applied to soil under green house conditions (Rvb = 9.7 +/- 0.30%) Meloidogyne incognita 0.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as emergence at 1.68 kg ai/ha applied to soil measured up to 14 days under green house conditions (Rvb = 75 +/- 13%) Meloidogyne incognita 75.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as emergence at 1.12 kg ai/ha applied to soil measured up to 7 days under green house conditions (Rvb = 75 +/- 13%) Meloidogyne incognita 63.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infected pea plant assessed as emergence at 0.56 kg ai/ha applied to soil under green house conditions (Rvb = 75 +/- 13%) Meloidogyne incognita 63.0 %
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infested soil containing cucumber seeds assessed as mortality applied post seed germination measured after 7 days under green house conditions Meloidogyne incognita 12.0 mg/L Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) infested soil containing cucumber seeds assessed as mortality applied post seed germination measured after 7 days under green house conditions Meloidogyne incognita 2.8 ug.mL-1
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) assessed as mortality after 72 hr Meloidogyne incognita 2.5 mg/L Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) assessed as mortality after 72 hr Meloidogyne incognita 1.7 ug.mL-1
Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) assessed as mortality after 48 hr Meloidogyne incognita 11.5 mg/L Nematicidal activity against second juvenile stage of Meloidogyne incognita (root-knot nematode) assessed as mortality after 48 hr Meloidogyne incognita 4.0 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2140710
PubChem 9595287
SureChEMBL SCHEMBL1765917
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