FENAZAQUIN

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Synonyms
UNII DK5Q534WEE
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 DMYHGDXADUDKCQ-UHFFFAOYSA-N
Smiles CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1
InChI
InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2O
Molecular Weight 306.4
AlogP 5.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 35.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU7 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 33.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU11 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 42.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU9 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 23.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU4 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 4.1
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU3 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 5.7
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU12 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 15.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU5 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 3.7
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU2 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 7.3
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU1 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 13.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU6 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 2.2
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) laboratory strain GSS to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 1.3
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU7 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 447.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU11 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 562.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU9 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 316.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU4 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 55.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU3 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 77.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU12 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 215.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU5 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 49.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU2 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 97.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU1 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 179.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU6 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 29.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) laboratory strain GSS in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 17.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) laboratory strain SAMB in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 13.0 ug.mL-1
Contact toxicity against Apis mellifera (honey bee) assessed per bee Apis mellifera 1.0 ug
Contact toxicity against Bombus terrestris (bumblebee) assessed per bee Bombus terrestris 100.0 ug
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 200 mg a.i./l, po administered through pollen for 11 weeks measured once a week for 11 weeks Bombus terrestris 50.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 200 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 200 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 90.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 200 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 200 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %

Cross References

Resources Reference
ChEMBL CHEMBL243282
FDA SRS DK5Q534WEE
PubChem 86356
SureChEMBL SCHEMBL26216
ZINC ZINC02383010
CONTENTS