UNII F0VT7K5302
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 KVDJTXBXMWJJEF-UHFFFAOYSA-N
Smiles FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChI
InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H11ClF6N2O
Molecular Weight 396.71
AlogP 4.48
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 41.99
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 96 hr prior-inoculation relative to control Botryotinia fuckeliana 53.6 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 96 hr prior-inoculation Botryotinia fuckeliana 0.7 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 96 hr prior-inoculation Botryotinia fuckeliana 3.9 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 96 hr prior-inoculation Botryotinia fuckeliana 4.2 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 96 hr prior-inoculation Botryotinia fuckeliana 8.7 mm
Antifungal activity against Botryotinia fuckeliana obtained from kiwi fruit isolate assessed as inhibition of spore germ tube growth Botryotinia fuckeliana 0.1 ug.mL-1
Antifungal activity against Botryotinia fuckeliana obtained from cucumber isolate assessed as inhibition of spore germ tube growth Botryotinia fuckeliana 0.1 ug.mL-1
Antifungal activity against Botryotinia fuckeliana obtained from grape isolate assessed as inhibition of spore germ tube growth Botryotinia fuckeliana 0.13 ug.mL-1
Antifungal activity against Botryotinia fuckeliana obtained from tomato isolate assessed as inhibition of spore germ tube growth Botryotinia fuckeliana 0.11 ug.mL-1
Antifungal activity against Botryotinia fuckeliana grown on succinate medium assessed as inhibition of mycelial growth at 10 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on YBA agar assessed as inhibition of mycelial growth at 5 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on PDA medium assessed as inhibition of mycelial growth at 10 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on succinate medium assessed as inhibition of germ tube growth at 5 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on succinate medium assessed as inhibition of spore germination at 5 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on YBA agar assessed as inhibition of germ tube growth at 1 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on YBA agar assessed as inhibition of spore germination at 1 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on water agar assessed as inhibition of germ tube growth at 1 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana grown on water agar assessed as inhibition of spore germination at 1 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana assessed as inhibition of spore germination at 0.001 to 10 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana assessed as inhibition of germ tube growth at 0.001 to 10 ug/ml after 10 days Botryotinia fuckeliana None
Antifungal activity against boscalid-resistant Alternaria alternata isolate Aa122 expressing AaSDHC H134R mutant Alternaria alternata 5.0 ppm
Antifungal activity against boscalid-resistant Alternaria alternata isolate Aa111 expressing AaSDHB H277Y mutant Alternaria alternata 0.25 ppm
Antifungal activity against boscalid-resistant Alternaria alternata isolate Aa29 expressing AaSDHB H277Y mutant Alternaria alternata 0.25 ppm
Antifungal activity against wild type Alternaria alternata isolate Aa16 Alternaria alternata 0.25 ppm
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHD H133R mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 16.93 %
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHC H134R mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 11.27 %
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHB H277Y mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 41.3 %
Antifungal activity against wild type Alternaria alternata assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 82.97 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 96 hr post-inoculation relative to control Botryotinia fuckeliana 62.5 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 96 hr post-inoculation relative to control Botryotinia fuckeliana 45.1 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 96 hr post-inoculation relative to control Botryotinia fuckeliana 41.1 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 96 hr post-inoculation relative to control Botryotinia fuckeliana 37.2 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 96 hr post-inoculation Botryotinia fuckeliana 7.0 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 96 hr post-inoculation Botryotinia fuckeliana 10.3 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 96 hr post-inoculation Botryotinia fuckeliana 11.1 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 96 hr post-inoculation Botryotinia fuckeliana 11.8 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 24 hr post-inoculation relative to control Botryotinia fuckeliana 79.3 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 24 hr post-inoculation relative to control Botryotinia fuckeliana 77.3 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 24 hr post-inoculation relative to control Botryotinia fuckeliana 69.7 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 24 hr post-inoculation relative to control Botryotinia fuckeliana 53.0 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 24 hr post-inoculation Botryotinia fuckeliana 3.9 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 24 hr post-inoculation Botryotinia fuckeliana 4.2 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 24 hr post-inoculation Botryotinia fuckeliana 5.7 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 24 hr post-inoculation Botryotinia fuckeliana 8.8 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 48 hr post-inoculation relative to control Botryotinia fuckeliana 92.2 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 48 hr post-inoculation relative to control Botryotinia fuckeliana 82.9 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 48 hr post-inoculation relative to control Botryotinia fuckeliana 81.2 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 48 hr post-inoculation relative to control Botryotinia fuckeliana 63.3 %
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 48 hr post-inoculation Botryotinia fuckeliana 1.4 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 48 hr post-inoculation Botryotinia fuckeliana 3.2 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 48 hr post-inoculation Botryotinia fuckeliana 3.5 mm
Curative antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 48 hr post-inoculation Botryotinia fuckeliana 6.9 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 24 hr prior inoculation relative to control Botryotinia fuckeliana 100.0 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 24 hr prior inoculation relative to control Botryotinia fuckeliana 93.9 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 24 hr prior inoculation relative to control Botryotinia fuckeliana 77.2 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 24 hr prior inoculation relative to control Botryotinia fuckeliana 66.4 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 24 hr prior inoculation Botryotinia fuckeliana 0.0 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 24 hr prior inoculation Botryotinia fuckeliana 1.1 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 24 hr prior inoculation Botryotinia fuckeliana 4.2 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 24 hr prior inoculation Botryotinia fuckeliana 6.3 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 48 hr prior inoculation relative to control Botryotinia fuckeliana 95.9 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 48 hr prior inoculation relative to control Botryotinia fuckeliana 87.7 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 48 hr prior inoculation relative to control Botryotinia fuckeliana 70.8 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 1 ug AI/ml applied 48 hr prior inoculation relative to control Botryotinia fuckeliana 54.3 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 100 ug AI/ml applied 48 hr prior inoculation Botryotinia fuckeliana 1.1 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 50 ug AI/ml applied 48 hr prior inoculation Botryotinia fuckeliana 2.3 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 10 ug AI/ml applied 48 hr prior inoculation Botryotinia fuckeliana 5.5 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease severity measuring lesion diameter at 1 ug AI/ml applied 48 hr prior inoculation Botryotinia fuckeliana 8.6 mm
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 100 ug AI/ml applied 96 hr prior-inoculation relative to control Botryotinia fuckeliana 93.9 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 50 ug AI/ml applied 96 hr prior-inoculation relative to control Botryotinia fuckeliana 79.2 %
Protective antifungal activity against Botryotinia fuckeliana inoculated in fungicide-applied strawberry fruit assessed as disease control efficacy at 10 ug AI/ml applied 96 hr prior-inoculation relative to control Botryotinia fuckeliana 66.3 %

Cross References

Resources Reference
ChEMBL CHEMBL2286755
FDA SRS F0VT7K5302
PubChem 11158353
SureChEMBL SCHEMBL67230
ZINC ZINC34431012