UNII 2VQZ4PK548
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 QHOQHJPRIBSPCY-UHFFFAOYSA-N
Smiles CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
InChI
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20N3O3PS
Molecular Weight 305.33
AlogP 2.73
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 98.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Adulticidal activity against female Bemisia tabaci biotype B (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 188.0 ppm
Biotype susceptibility ratio, ratio of LC50 for female adult Bemisia tabaci biotype Q (sweet potato whitefly) to LC50 for female adult Bemisia tabaci biotype B Bemisia tabaci 1.3
Adulticidal activity against female Bemisia tabaci biotype Q (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 235.1 ppm
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 48 hr Tetranychus urticae 74.0
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 48 hr Tetranychus urticae 23.0
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 48 hr Tetranychus urticae 14.0
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 48 hr Tetranychus urticae 5.5
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 48 hr Tetranychus urticae 7.3
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 48 hr Tetranychus urticae 4.3
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 48 hr Tetranychus urticae 11.0
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 48 hr Tetranychus urticae 12.0
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 48 hr Tetranychus urticae 14.0
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 48 hr Tetranychus urticae 8.9
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 48 hr Tetranychus urticae 19.0
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 48 hr Tetranychus urticae 1332.0 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 48 hr Tetranychus urticae 417.0 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 48 hr Tetranychus urticae 248.0 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 48 hr Tetranychus urticae 98.0 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 48 hr Tetranychus urticae 130.0 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 48 hr Tetranychus urticae 77.0 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 48 hr Tetranychus urticae 204.0 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 48 hr Tetranychus urticae 225.0 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 48 hr Tetranychus urticae 158.0 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 48 hr Tetranychus urticae 248.0 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 48 hr Tetranychus urticae 332.0 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 48 hr Tetranychus urticae 18.0 ug.mL-1
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as decrease in progeny production at 8 ppm after 30 days Liposcelis bostrychophila None
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as mortality at 8 ppm after 14 days (Rvb = 13.5 +/-5.3%) Liposcelis bostrychophila 100.0 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as mortality at 8 ppm after 7 days (Rvb = 8.9 +/-2.6%) Liposcelis bostrychophila 100.0 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as decrease in progeny production at 8 ppm after 30 days Liposcelis entomophila None
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as mortality at 8 ppm after 14 days (Rvb = 14.4 +/-4.1%) Liposcelis entomophila 100.0 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as mortality at 8 ppm after 7 days (Rvb = 15.6 +/-6.9%) Liposcelis entomophila 100.0 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as decrease in progeny production at 8 ppm after 30 days Lepinotus reticulatus None
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as mortality at 8 ppm after 14 days (Rvb = 61.1 +/-11.9%) Lepinotus reticulatus 100.0 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as mortality at 8 ppm after 7 days (Rvb = 34.4 +/-11.4%) Lepinotus reticulatus 100.0 %
Insecticidal activity against Liposcelis paeta in compound pre-treated maize grains assessed as mortality at 8 ppm after 14 days (Rvb = 14.1 +/-4.1%) Liposcelis paeta 100.0 %
Insecticidal activity against Liposcelis paeta in compound pre-treated maize grains assessed as mortality at 8 ppm after 7 days (Rvb = 13.3 +/-3.3%) Liposcelis paeta 97.8 %
Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae (green peach aphid) 4106A membrane at 1 ppm after 70 min Myzus persicae 2.0 %
Resistance ratio, LC50 for OP-resistance Chilo suppressalis Hata-f (rice stem borer) to OP-susceptible Chilo suppressalis S (rice stem borer) strain Chilo suppressalis 1202.0
Insecticidal activity against OP-resistance Chilo suppressalis Hata-f (rice stem borer) assessed as mortality measured after 24 hr Chilo suppressalis 1803.0 mg.kg-1
Insecticidal activity against OP-susceptible Chilo suppressalis S (rice stem borer) strain assessed as mortality measured after 24 hr Chilo suppressalis 1.5 mg.kg-1

Cross References

Resources Reference
ChEMBL CHEMBL1886047
FDA SRS 2VQZ4PK548
PubChem 34526
SureChEMBL SCHEMBL26456
ZINC ZINC02011556