IPROBENFOS

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Synonyms
UNII OV3YOE2895
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 FCOAHACKGGIURQ-UHFFFAOYSA-N
Smiles CC(C)OP(=O)(OC(C)C)SCc1ccccc1
InChI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21O3PS
Molecular Weight 288.34
AlogP 3.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 70.64
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Antifungal activity against drug-sensitive Magnaporthe oryzae infected six-leaf stage of rice plant assessed as reduction of susceptible lesion number per leaf area at 2 time MIC treated 24 hr before fungal infection measured after 6 days relative to control Magnaporthe oryzae 28.1 %
Antifungal activity against drug-sensitive Magnaporthe oryzae infected six-leaf stage of rice plant assessed as reduction of disease recovery at 2 time MIC treated 24 hr before fungal infection measured after 6 days relative to control Magnaporthe oryzae 28.8 %
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area at 8 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.39 cm2
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area at 4 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.93 cm2
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area at 2 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.13 cm2
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area at MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.28 cm2
Antifungal activity against drug-sensitive Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.73 cm2
Antifungal activity against drug-resistant Magnaporthe oryzae KJ163 assessed as inhibition of mycelial growth Magnaporthe oryzae 25.98 ug.mL-1
Antifungal activity against drug-resistant Magnaporthe oryzae KJ120 assessed as inhibition of mycelial growth Magnaporthe oryzae 29.72 ug.mL-1
Antifungal activity against drug-resistant Magnaporthe oryzae HM158 assessed as inhibition of mycelial growth Magnaporthe oryzae 42.08 ug.mL-1
Antifungal activity against drug-resistant Magnaporthe oryzae DH156 assessed as inhibition of mycelial growth Magnaporthe oryzae 27.11 ug.mL-1
Antifungal activity against drug-sensitive Magnaporthe oryzae KN144 assessed as inhibition of mycelial growth Magnaporthe oryzae 8.88 ug.mL-1
Antifungal activity against drug-sensitive Magnaporthe oryzae KH146 assessed as inhibition of mycelial growth Magnaporthe oryzae 8.76 ug.mL-1
Antifungal activity against drug-sensitive Magnaporthe oryzae CC134 assessed as inhibition of mycelial growth Magnaporthe oryzae 8.92 ug.mL-1
Antifungal activity against drug-sensitive Magnaporthe oryzae CC056 assessed as inhibition of mycelial growth Magnaporthe oryzae 10.72 ug.mL-1
Antifungal activity against drug-resistant Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.53 %
Antifungal activity against drug-sensitive Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.8 %
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery at MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.23 %
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery at 2 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.17 %
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery at 4 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.87 %
Antifungal activity against Magnaporthe oryzae infected six-leaf stage of rice plant assessed as disease recovery at 8 time MIC treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 0.45 %
Antifungal activity against drug-resistant Magnaporthe oryzae infected six-leaf stage of rice plant assessed susceptible lesion number per leaf area treated 24 hr before fungal infection measured after 24 hr Magnaporthe oryzae 1.6 cm2
Fungicidal activity against Athelia rolfsii assessed as fungal growth inhibition at 100 ppm by agar dilution method Athelia rolfsii 100.0 %
Fungicidal activity against Athelia rolfsii assessed as fungal growth inhibition at 10 ppm by agar dilution method Athelia rolfsii 69.0 %
Fungicidal activity against Pythium sp. assessed as fungal growth inhibition at 100 ppm by agar dilution method Pythium 89.0 %
Fungicidal activity against Pythium sp. assessed as fungal growth inhibition at 10 ppm by agar dilution method Pythium 42.0 %
Antimicrobial activity against Athelia rolfsii assessed as growth inhibition at 100 ppm by agar dilution method Athelia rolfsii 100.0 %
Antimicrobial activity against Athelia rolfsii assessed as growth inhibition at 10 ppm by agar dilution method Athelia rolfsii 69.0 %
Antimicrobial activity against Pythium sp. assessed as growth inhibition at 10 ppm by agar dilution method Pythium 42.0 %
Antimicrobial activity against Pythium sp. assessed as growth inhibition at 100 ppm by agar dilution method Pythium 89.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 10 ppm after 3 days Athelia rolfsii 69.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 10 ppm after 3 days Pythium 42.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 100 ppm after 3 days Athelia rolfsii 100.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 100 ppm after 3 days Pythium 89.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 10 ppm after 4 to 5 days by agar dilution method Pythium 42.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 100 ppm after 4 to 5 days by agar dilution method Pythium 89.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 100 ppm after 4 to 5 days by agar dilution method Athelia rolfsii 100.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 10 ppm after 4 to 5 days by agar dilution method Athelia rolfsii 69.0 %
Antifungal activity against Magnaporthe oryzae infected on compound treated rice seedlings at 7.8 ppm incubated for 24 hr in moist chamber followed by incubation for 5 days in greenhouse conditions Magnaporthe oryzae 0.0 %
Antifungal activity against Magnaporthe oryzae infected on compound treated rice seedlings at 31.3 ppm incubated for 24 hr in moist chamber followed by incubation for 5 days in greenhouse conditions Magnaporthe oryzae 30.0 %
Antifungal activity against Magnaporthe oryzae infected on compound treated rice seedlings at 125 ppm incubated for 24 hr in moist chamber followed by incubation for 5 days in greenhouse conditions Magnaporthe oryzae 50.0 %
Antifungal activity against Magnaporthe oryzae infected on compound treated rice seedlings at 500 ppm incubated for 24 hr in moist chamber followed by incubation for 5 days in greenhouse conditions Magnaporthe oryzae 70.0 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 100 ppm by agar dilutopn method Athelia rolfsii 100.0 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 10 ppm by agar dilutopn method Athelia rolfsii 69.0 %
Antifungal activity against Pythium sp. assessed as growth inhibition at 10 ppm by agar dilution method Pythium 42.0 %
Antifungal activity against Pythium sp. assessed as growth inhibition at 100 ppm by agar dilution method Pythium 89.0 %
Fungicidal activity against Athelia rolfsii assessed as growth inhibition at 100 ppm after 5 days by agar dilution test Athelia rolfsii 100.0 %
Fungicidal activity against Athelia rolfsii assessed as growth inhibition at 10 ppm after 5 days by agar dilution test Athelia rolfsii 68.8 %
Fungicidal activity against Pythium sp. assessed as growth inhibition at 100 ppm after 5 days by agar dilution test Pythium 88.5 %
Fungicidal activity against Pythium sp. assessed as growth inhibition at 10 ppm after 5 days by agar dilution test Pythium 41.7 %

Cross References

Resources Reference
ChEMBL CHEMBL388384
FDA SRS OV3YOE2895
SureChEMBL SCHEMBL22179
ZINC ZINC02013176
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