FENBUCONAZOLE

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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 RQDJADAKIFFEKQ-UHFFFAOYSA-N
Smiles Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1
InChI
InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN4
Molecular Weight 336.82
AlogP 4.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 54.5
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Monilinia fructicola isolate GADL193.04 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL193.04 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL133.04 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL133.04 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate SCDL71.01 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate SCDL71.01 infected peach fruit assessed as decrease in sporulation area at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL193.04 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL133.04 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL193.04 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL133.04 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate SCDL71.01 assessed as reduction in colony diameter after 5 days Monilinia fructicola 0.019 uL/ml
Fungicidal activity against Monilinia fructicola isolate GADL133.04 assessed as reduction in colony diameter after 5 days Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate GADL193.04 assessed as reduction in colony diameter after 5 days Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate SCDL71.01 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr prior to inoculation after 5 days relative to untreated-control Monilinia fructicola None
Fungicidal activity against Monilinia fructicola isolate SCDL71.01 infected peach fruit assessed as decrease in brown rot disease incidence at 0.112 ml/l applied 24 hr after inoculation after 5 days relative to untreated-control Monilinia fructicola None

Cross References

Resources Reference
ChEMBL CHEMBL1879687
PubChem 86138
SureChEMBL SCHEMBL21792
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