FENHEXAMID

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Synonyms
Molecule Category Free-form
UNII Q68C3C9P1U
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 VDLGAVXLJYLFDH-UHFFFAOYSA-N
Smiles CC1(CCCCC1)C(=O)Nc2ccc(O)c(Cl)c2Cl
InChI
InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17Cl2NO2
Molecular Weight 302.2
AlogP 4.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Monilinia laxa isolate MLX1 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 21.82 %
Fungicidal activity against Monilinia laxa isolate MLP4 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 45.83 %
Fungicidal activity against Monilinia laxa isolate MLK12 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 60.05 %
Fungicidal activity against Monilinia laxa isolate MLK1 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 17.65 %
Fungicidal activity against Monilinia laxa isolate MLC2 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 50.35 %
Fungicidal activity against Monilinia laxa isolate MLX5 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 50.34 %
Fungicidal activity against Monilinia laxa isolate MLP2 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 25.0 %
Fungicidal activity against Monilinia laxa isolate MLBO5 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 21.05 %
Fungicidal activity against Monilinia laxa isolate MLBO2 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 10.03 %
Fungicidal activity against Monilinia laxa isolate MLA1 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 23.05 %
Fungicidal activity against Monilinia laxa isolate MLG1 assessed as mycelial growth at 0.1 ug/ml at 25 degC after 4 days Monilinia laxa 0.0 %
Antifungal activity against Botryotinia fuckeliana in Cucumber seedlings assessed as reduction of gray mold diseases compound spraying was performed 3 hr prior to inoculation by preventive effect assay Botryotinia fuckeliana 2.13 ug.mL-1
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 1.0 mm
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by germ tube elongation assay Oculimacula yallundae 28.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 33.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by germ tube elongation assay Oculimacula yallundae 1.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 1.2
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 1.2
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by mycelial growth inhibition assay Oculimacula yallundae 1.7
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 to EC50 for wild type Oculimacula yallundae TriS by mycelial growth inhibition assay Oculimacula yallundae 1.5
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae in presence of 10 g glucose by mycelial growth inhibition assay None 0.8
Fungicidal activity against Oculimacula yallundae assessed as inhibition of mycelial growth in presence of 10 g glucose incubated at 19 degC in dark for 4 weeks Oculimacula yallundae 0.4 ug.mL-1
Fungicidal activity against Oculimacula acuformis assessed as inhibition of mycelial growth in presence of 10 g glucose incubated at 19 degC in dark for 4 weeks Oculimacula acuformis 0.32 ug.mL-1
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae by germ tube elongation inhibition assay None 0.8
Fungicidal activity against Oculimacula yallundae assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.06 ug.mL-1
Fungicidal activity against Oculimacula acuformis assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula acuformis 0.05 ug.mL-1
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for wild type Oculimacula yallundae TriS by mycelial growth inhibition assay Oculimacula yallundae 1.2
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by mycelial growth inhibition assay Oculimacula yallundae 0.8
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for wild type Oculimacula yallundae TriS by mycelial growth inhibition assay Oculimacula yallundae 2.5
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 11.1 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-3 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 7.4 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-7 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 2.3 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-5 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 6.9 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-4 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 4.0 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-22 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 3.7 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-8 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 5.8 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-6 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 5.8 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-1 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 2.2 ug.mL-1
Resistance factor, ratio of EC50 for Monilinia laxa MF-2 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 111.0
Fungitoxicity against wild type Monilinia laxa K2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Resistance factor, ratio of EC50 for Monilinia laxa MF-3 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 75.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-5 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 70.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-8 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 58.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-19 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 43.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-4 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 40.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-6 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 58.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-22 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 37.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-20 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 34.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-1 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 23.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-15 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 31.0
Resistance factor, ratio of EC50 for Monilinia laxa MF-7 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 22.0
Resistance factor, ratio of EC50 for Monilinia laxa MLP2 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 0.3
Resistance factor, ratio of EC50 for Monilinia laxa MLK12 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 2.2
Resistance factor, ratio of EC50 for Monilinia laxa MLC2 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 3.7
Resistance factor, ratio of EC50 for Monilinia laxa MLK6 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 1.2
Resistance factor, ratio of EC50 for Monilinia laxa MLBO7 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 0.4
Resistance factor, ratio of EC50 for Monilinia laxa MLX2 to EC50 for wild type Monilinia laxa K2 Monilinia laxa 1.1
Fungitoxicity against Monilinia laxa MF-2 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 54.0 mm
Fungitoxicity against Monilinia laxa MF-3 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 60.0 mm
Fungitoxicity against Monilinia laxa MF-5 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 57.0 mm
Fungitoxicity against Monilinia laxa MF-19 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 55.0 mm
Fungitoxicity against Monilinia laxa MF-8 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 58.0 mm
Fungitoxicity against Monilinia laxa MF-6 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 56.0 mm
Fungitoxicity against Monilinia laxa MF-4 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 57.0 mm
Fungitoxicity against Monilinia laxa MF-22 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 56.0 mm
Fungitoxicity against Monilinia laxa MF-20 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 55.0 mm
Fungitoxicity against Monilinia laxa MF-15 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 56.0 mm
Fungitoxicity against Monilinia laxa MF-1 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 50.0 mm
Fungitoxicity against Monilinia laxa MF-7 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 55.0 mm
Fungitoxicity against Monilinia laxa MLP2 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 60.0 mm
Fungitoxicity against Monilinia laxa MLK12 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 55.0 mm
Fungitoxicity against Monilinia laxa MLC2 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 49.0 mm
Fungitoxicity against Monilinia laxa MLBO7 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 60.0 mm
Fungitoxicity against Monilinia laxa MLK6 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 52.0 mm
Fungitoxicity against Monilinia laxa MLX2 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 59.0 mm
Fungitoxicity against Monilinia laxa K2 assessed as diameter of mycelial colony measured at 25 degC after 4 days Monilinia laxa 57.0 mm
Antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit Botryotinia fuckeliana 0.04 ug.mL-1
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 23.2 %
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 14.5 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 61.4 %
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 7.2 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 89.2 %
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 2.0 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 99.2 %
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 0.1 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 97.6 %
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 48 hr prior inoculation Botryotinia fuckeliana 0.4 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 94.4 %

Cross References

Resources Reference
ChEMBL CHEMBL1688541
FDA SRS Q68C3C9P1U
PubChem 213031
SureChEMBL SCHEMBL23092
ZINC ZINC02384330
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