CYPROCONAZOLE

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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 UFNOUKDBUJZYDE-UHFFFAOYSA-N
Smiles CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3
InChI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18ClN3O
Molecular Weight 291.78
AlogP 2.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 50.94
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at Caddy 10WP formulation at 25 degC measured every week for 1 month Armillaria mellea 6.73 ug.mL-1
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at Caddy 10WP formulation at 25 degC measured every week for 1 month Armillaria mellea 5.73 ug.mL-1
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at Caddy 10WP formulation at 25 degC measured every week for 1 month Armillaria mellea 5.19 ug.mL-1
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 30 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 25 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 20 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 15 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 95.0 %
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 10 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 73.0 %
Fungicidal activity against Armillaria mellea infected walnut assessed as mycelial growth inhibition at 5 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 41.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 30 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 25 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 20 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 15 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 10 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 86.0 %
Fungicidal activity against Armillaria mellea infected kiwifruit assessed as mycelial growth inhibition at 5 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 47.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 30 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 25 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 20 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 100.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 15 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 98.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 10 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 89.0 %
Fungicidal activity against Armillaria mellea infected apple assessed as mycelial growth inhibition at 5 mg/l formulated as Caddy 10WP at 25 degC measured every week for 1 month (Rvb = 0%) Armillaria mellea 56.0 %
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR2 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by germ tube elongation inhibition assay Oculimacula yallundae 0.8
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR1 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by germ tube elongation inhibition assay Oculimacula yallundae 0.5
Fungicidal activity against prochloraz-susceptible Oculimacula yallundae isolate ProS assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 3.0 ug.mL-1
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 1.0
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 160.0
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 0.6
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 100.0
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 160.0
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 0.9
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 23.0
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 40.0
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 0.3 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 12.0 ug.mL-1
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae by germ tube elongation inhibition assay None 60.0
Fungicidal activity against Oculimacula yallundae assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.05 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 3.0 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 17.0
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 mycelial growth inhibition assay Oculimacula yallundae 0.7
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 20.0

Cross References

Resources Reference
ChEMBL CHEMBL2131954
PubChem 86132
SureChEMBL SCHEMBL20791
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