CADUSAFOS

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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 KXRPCFINVWWFHQ-UHFFFAOYSA-N
Smiles CCOP(=O)(SC(C)CC)SC(C)CC
InChI
InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23O2PS2
Molecular Weight 270.39
AlogP 3.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 86.71
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 15.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 1.5 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 2.1 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 1.13 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 2.11 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 1.89 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 3.21 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 1.34 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 2.02 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 83.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested in tomato plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 39.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 45.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 49.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 60.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 79.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 57.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 66.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 0.75 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 1.75 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 0.55 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 0.85 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 0.25 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 2.15 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 1.05 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 1.6 /cm3
Drug level in Solanum lycopersicum (tomato) green seeds measured 120 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.003 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 100 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.01 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 90 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.04 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 120 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.002 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 100 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.006 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 90 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.021 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 100 days post dose following field application at 2 kg of active ingredient/hectare Cicer arietinum 0.005 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 90 days post dose following field application at 2 kg of active ingredient/hectare Cicer arietinum 0.016 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 120 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum None
Drug level in Cicer arietinum (chickpea) green seeds measured 100 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum 0.003 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 90 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum 0.009 ug/g
Solubility in water None 248.0 ug.mL-1
Cmax in Solanum lycopersicum (tomato) shoots measured 30 days post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 0.44 ug/g
Cmax in Cicer arietinum (chickpea) shoots measured 15 days post dose following field application at 1 and 2 kg of active ingredient/hectare Cicer arietinum 0.34 ug/g
Drug translocation in Solanum lycopersicum (tomato) roots assessed as mean drug level measured post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 0.25 ug/g
Drug absorption in Solanum lycopersicum (tomato) roots assessed as mean drug level measured post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 2.18 ug/g
Drug absorption in Solanum lycopersicum (tomato) roots measured 30 days post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 3.23 ug/g
Toxicity in Rattus norvegicus (rat) Rattus norvegicus 37.1 mg.kg-1
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as plant vigour at 8 kg/hectare measured after 30 days Meloidogyne incognita 90.0 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as plant height at 8 kg/hectare measured after 30 days Meloidogyne incognita 38.6 cm
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as reduction in root galling index at 8 kg/hectare measured after 30 days Meloidogyne incognita None
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as marketable yield at 8 kg/hectare Meloidogyne incognita 68.7 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as medium fruit yield at 8 kg/hectare Meloidogyne incognita 41.6 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as large fruit yield at 8 kg/hectare Meloidogyne incognita 19.9 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as extra-large fruit yield at 8 kg/hectare Meloidogyne incognita 7.2 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as plant height at 8 kg/hectare measured after 50 days Meloidogyne incognita 101.8 cm
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as reduction in number of nematodes in soil at 8 kg/hectare measured after 60 days Meloidogyne incognita None
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as reduction in number of nematodes in soil at 8 kg/hectare measured after 40 days Meloidogyne incognita None
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato field assessed as reduction in number of nematodes in soil at 8 kg/hectare measured after 20 days Meloidogyne incognita None
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato plant under greenhouse condition assessed as fresh root weight at 8 kg/hectare measured after 30 days Meloidogyne incognita 1.13 g
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato plant under greenhouse condition assessed as plant vigour at 8 kg/hectare measured after 30 days Meloidogyne incognita 91.0 %
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato plant under greenhouse condition assessed as plant height at 8 kg/hectare measured after 30 days Meloidogyne incognita 39.2 cm
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) assessed as mortality after 48 hr Meloidogyne incognita 50.34 mgAi/L Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) assessed as mortality after 48 hr Meloidogyne incognita 13.43 mgAi/L
Nematicidal activity against second-stage juvenile Meloidogyne incognita (root-knot nematode) infested tomato plant under greenhouse condition assessed as reduction in root galling index at 8 kg/hectare measured after 30 days Meloidogyne incognita None

Cross References

Resources Reference
ChEMBL CHEMBL2228571
PubChem 91752
SureChEMBL SCHEMBL63059
CONTENTS