CYPRODINIL

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UNII 42P6T6OFWZ
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 HAORKNGNJCEJBX-UHFFFAOYSA-N
Smiles Cc1cc(nc(Nc2ccccc2)n1)C3CC3
InChI
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15N3
Molecular Weight 225.29
AlogP 3.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Colletotrichum gloeosporioides assessed as as appearance of diffuse zone of inhibition at 2 mM in 2 uL solution by direct bio-autography assay1 Colletotrichum gloeosporioides None
Antifungal activity against Colletotrichum gloeosporioides assessed as as appearance of diffuse zone of inhibition at 2 mM in 2 uL solution by direct bio-autography assay Colletotrichum gloeosporioides None
Antifungal activity against Colletotrichum acutatum assessed as appearance of diffuse zone of inhibition at 2 mM in 2 uL solution by direct bio-autography assay Colletotrichum acutatum None
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 2 uL in 2 mM acetone by direct bioautography Colletotrichum gloeosporioides 29.33 mm
Antifungal activity against Colletotrichum acutatum assessed as growth inhibition at 2 uL in 2 mM acetone by direct bioautography Colletotrichum acutatum 29.33 mm
Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 2 uL in 2 mM acetone by direct bioautography Colletotrichum fragariae 30.33 mm
Antifungal activity against Colletotrichum gloeosporioides assessed as diffuse inhibitory zone at concentration of 2 mM in volume of 2 ul of EtOH measured after 4 days by TLC based direct bioautography assay Colletotrichum gloeosporioides None
Antifungal activity against Colletotrichum fragariae assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 2 ul of EtOH measured after 4 days by TLC based direct bioautography assay Colletotrichum fragariae 23.0 mm
Antifungal activity against Colletotrichum acutatum assessed as diffuse inhibitory zone at concentration of 2 mM in volume of 2 ul of EtOH measured after 4 days by TLC based direct bioautography assay Colletotrichum acutatum None
Antifungal activity against circular leaf spot causing Mycosphaerella nawae MY1 assessed as inhibition of mycelial growth on potato dextrose agar Mycosphaerella nawae 76.8 ug.mL-1
Antifungal activity against circular leaf spot causing Mycosphaerella nawae MY5 assessed as inhibition of mycelial growth on potato dextrose agar Mycosphaerella nawae 52.4 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 13.0
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 13.0
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 1.0
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 1.0
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 0.12
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 0.5 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 0.06 ug.mL-1
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae by germ tube elongation inhibition assay None 1.0
Fungicidal activity against Oculimacula yallundae assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.004 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 0.004 ug.mL-1
Antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit Botryotinia fuckeliana 0.007 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL521027
FDA SRS 42P6T6OFWZ
PubChem 86367
SureChEMBL SCHEMBL22669
ZINC ZINC00900539
CONTENTS