FLUACRYPYRIM

/static/temp/default.svg Search structure
UNII FHJ1L9VJTH
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 MXWAGQASUDSFBG-RVDMUPIBSA-N
Smiles CO\C=C(\C(=O)OC)/c1ccccc1COc2cc(nc(OC(C)C)n2)C(F)(F)F
InChI
InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21F3N2O5
Molecular Weight 426.39
AlogP 4.5
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 79.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0
Assay Description Organism Bioactivity Reference
Synergism ratio of LC50 for adult Tetranychus urticae GSS (two-spotted spider mite) to LC50 for adult Tetranychus urticae GSS in presence of 2000 mg/L GST inhibitor, DEM application Tetranychus urticae 0.5
Synergism ratio of LC50 for adult Tetranychus urticae GSS (two-spotted spider mite) to LC50 for adult Tetranychus urticae GSS in presence of 1000 mg/L esterase inhibitor, DEF application Tetranychus urticae 1.6
Synergism ratio of LC50 for adult Tetranychus urticae GSS (two-spotted spider mite) to LC50 for adult Tetranychus urticae GSS in presence of 2000 mg/L cytochrome P450 monoxygenase inhibitor, PBO Tetranychus urticae 1.7
Toxicity against adult Tetranychus urticae BEL1 (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L GST inhibitor, DEM application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae BEL1 (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L esterase inhibitor, DEF application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae BEL1 (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L cytochrome P450 monoxygenase inhibitor, PBO application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae BR-VL (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L GST inhibitor, DEM application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae BR-VL (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L esterase inhibitor, DEF application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae BR-VL (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L cytochrome P450 monoxygenase inhibitor, PBO application Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae GSS (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L GST inhibitor, DEM application Tetranychus urticae 12.4 ug.mL-1
Toxicity against adult Tetranychus urticae GSS (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 1000 mg/L esterase inhibitor, DEF application Tetranychus urticae 4.2 ug.mL-1
Toxicity against adult Tetranychus urticae GSS (two-spotted spider mite) in bean leaves assessed as mortality treated 24 hr after 2000 mg/L cytochrome P450 monoxygenase inhibitor, PBO application Tetranychus urticae 3.8 ug.mL-1
Toxicity against female adult Tetranychus urticae (two-spotted spider mite) F1 progeny generated from reciprocal cross between female BEL1 and male GSS in compound pretreated bean leaves assesed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against female adult Tetranychus urticae (two-spotted spider mite) F1 progeny generated from reciprocal cross between female GSS and male BEL1 in compound pretreated bean leaves assesed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against female adult Tetranychus urticae (two-spotted spider mite) F1 progeny generated from reciprocal cross between female BR-VL and male GSS in compound pretreated bean leaves assesed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against female adult Tetranychus urticae (two-spotted spider mite) F1 progeny generated from reciprocal cross between female GSS and male BR-VL in compound pretreated bean leaves assesed as mortality Tetranychus urticae 10000.0 ug.mL-1
Resistance ratio of LC50 for bifenazate-resistant Tetranychus urticae (two-spotted spider mite) BEL1 harboring mitochondrial P262T Cytb fixed mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for Tetranychus urticae (two-spotted spider mite) HOL4 harboring mitochondrial G126S Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for Tetranychus urticae HOL3 (two-spotted spider mite) harboring mitochondrial P262T Cytb heteroplasmic mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for Tetranychus urticae HOL2 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for Tetranychus urticae HOL1 (two-spotted spider mite) harboring mitochondrial G126S and I136T Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for bifenazate-resistant Tetranychus urticae BR-VL (two-spotted spider mite) harboring mitochondrial G126S, S141F and D161G Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for METI-resistant Tetranychus urticae MR-VP (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Resistance ratio of LC50 for Tetranychus urticae MR-VL (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 4.4
Resistance ratio of LC50 for Tetranychus urticae WI (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 0.5
Resistance ratio of LC50 for bifenazate-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 1515.0
Toxicity against adult bifenazate-resistant Tetranychus urticae BEL1 (two-spotted spider mite) harboring mitochondrial P262T Cytb fixed mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL4 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL3 (two-spotted spider mite) harboring mitochondrial P262T Cytb heteroplasmic mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL2 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL1 (two-spotted spider mite) harboring mitochondrial G126S and I136T Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult bifenazate-resistant Tetranychus urticae BR-VL (two-spotted spider mite) harboring mitochondrial G126S, S141F and D161G Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult METI-resistant Tetranychus urticae MR-VP (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae MR-VL (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 28.8 ug.mL-1
Toxicity against adult Tetranychus urticae WI (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 3.0 ug.mL-1
Toxicity against adult bifenazate-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae GSS (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 6.6 ug.mL-1
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 50 g a.i./ha measured after 21 days in field conditions relative to control Tetranychus cinnabarinus 98.2 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 50 g a.i./ha measured after 14 days in field conditions relative to control Tetranychus cinnabarinus 93.2 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 50 g a.i./ha measured after 7 days in field conditions relative to control Tetranychus cinnabarinus 77.6 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 50 g a.i./ha measured after 3 days in field conditions relative to control Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 100 g a.i./ha measured after 21 days in field conditions relative to control Tetranychus cinnabarinus 97.9 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 100 g a.i./ha measured after 14 days in field conditions relative to control Tetranychus cinnabarinus 90.4 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 100 g a.i./ha measured after 7 days in field conditions relative to control Tetranychus cinnabarinus 88.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean plant assessed as mortality at 100 g a.i./ha measured after 3 days in field conditions relative to control Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean leaf assessed as mortality at 10 mg/l measured after 48 hr in greenhouse conditions relative to control Tetranychus cinnabarinus 95.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean leaf assessed as mortality at 40 mg/l measured after 48 hr in greenhouse conditions relative to control Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) infected kidney bean leaf assessed as mortality at 600 mg/l measured after 48 hr in greenhouse conditions relative to control Tetranychus cinnabarinus 100.0 %
Acaricidal activity against eggs of Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as unhatched eggs measured after 120 hr Tetranychus cinnabarinus 5.95 ug.mL-1
Acaricidal activity against nymphs of Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality measured after 120 hr Tetranychus cinnabarinus 0.64 ug.mL-1
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality at 1.25 mg/L measured after 72 hr of spray Tetranychus cinnabarinus 30.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality at 2.5 mg/L measured after 72 hr of spray Tetranychus cinnabarinus 65.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality at 5 mg/L measured after 72 hr of spray Tetranychus cinnabarinus 94.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality at 10 mg/L measured after 72 hr of spray Tetranychus cinnabarinus 95.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean leaf assessed as mortality at 40 mg/L measured after 72 hr of spray Tetranychus cinnabarinus 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2392676
FDA SRS FHJ1L9VJTH
PubChem 9954185
SureChEMBL SCHEMBL83958
ZINC ZINC34046865
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