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 ...

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18BiN3
Molecular Weight 449.3
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Herbicidal activity against Phaseolus vulgaris assessed as inhibition of mitochondrial oxygen uptake Phaseolus vulgaris 17100.0 nM
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) assessed as inhibition of seed respiration during germination after 72 hr by polarographic analysis Lolium multiflorum None
Herbicidal activity against Physalis ixocarpa assessed as inhibition of seed respiration during germination after 72 hr by polarographic analysis Physalis ixocarpa None
Herbicidal activity against Trifolium pratense var. Kenland (red clover) assessed as inhibition of seed respiration during germination after 72 hr by polarographic analysis Trifolium pratense None Herbicidal activity against Trifolium pratense var. Kenland (red clover) assessed as inhibition of seed respiration during germination after 72 hr by polarographic analysis Trifolium pratense 8400.0 nM
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as inhibition of seed germination at 5 uM after 48 hr Lactuca sativa None
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as growth inhibition at 5 uM after 120 hr Lactuca sativa 30.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as partial inhibition of hypocotyle growth up to 10 uM after 48 hr Lactuca sativa None
Herbicidal activity against Trifolium pratense var. Kenland (red clover) seedlings assessed as partial inhibition of hypocotyle growth up to 15 uM after 48 hr Trifolium pratense None
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 10 uM after 48 hr relative to control Lolium multiflorum 34.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 7.5 uM after 48 hr relative to control Lolium multiflorum 60.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 5 uM after 48 hr relative to control Lolium multiflorum 46.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 3 uM after 48 hr relative to control Lolium multiflorum 76.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 1 uM after 48 hr relative to control Lolium multiflorum 78.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as root length rate at 0.5 uM after 48 hr relative to control Lolium multiflorum 112.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 10 uM after 48 hr relative to control Lolium multiflorum 28.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 5 uM after 48 hr relative to control Lolium multiflorum 66.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 7.5 uM after 48 hr relative to control Lolium multiflorum 64.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 3 uM after 48 hr relative to control Lolium multiflorum 82.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 1 uM after 48 hr relative to control Lolium multiflorum 84.0 %
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) seedlings assessed as shoot length rate at 0.5 uM after 48 hr relative to control Lolium multiflorum 93.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 10 uM after 48 hr relative to control Lactuca sativa 60.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 7.5 uM after 48 hr relative to control Lactuca sativa 65.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 5 uM after 48 hr relative to control Lactuca sativa 76.0 %
Antioxidant activity assessed as DPPH free radical scavenging activity at 5 to 100 uM after 30 min by TLC autographic assay None None
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 3 uM after 48 hr relative to control Lactuca sativa 80.0 %
Antioxidant activity assessed as DPPH free radical scavenging activity at 5 to 100 uM after 30 min by spectrophotometric analysis None None
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 1 uM after 48 hr relative to control Lactuca sativa 85.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as seed germination rate at 0.5 uM after 48 hr relative to control Lactuca sativa 85.0 %
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as root length at 75 uM after 120 hr (Rvb = 18 to 19 mm) Lactuca sativa 0.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as root length at 50 uM after 120 hr (Rvb = 18 to 19 mm) Lactuca sativa 0.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as root length at 25 uM after 120 hr (Rvb = 18 to 19 mm) Lactuca sativa 0.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as root length at 10 uM after 120 hr (Rvb = 18 to 19 mm) Lactuca sativa 11.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as root length at 5 uM after 120 hr (Rvb = 18 to 19 mm) Lactuca sativa 30.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as shoot length at 75 uM after 120 hr (Rvb = 27 to 31 mm) Lactuca sativa 0.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as shoot length at 10 uM after 120 hr (Rvb = 27 to 31 mm) Lactuca sativa 9.0 mm
Herbicidal activity against Lactuca sativa var.Roman (lettuce) seedlings assessed as shoot length at 5 uM after 120 hr (Rvb = 27 to 31 mm) Lactuca sativa 29.0 mm
Herbicidal activity against Lolium multiflorum var. Gulf (Italian ryegrass) assessed as inhibition of seed germination after 48 hr Lolium multiflorum 33800.0 nM
Herbicidal activity against Trifolium pratense var. Kenland (red clover) assessed as inhibition of seed germination after 48 hr Trifolium pratense 7500.0 nM
Herbicidal activity against Lactuca sativa var.Roman (lettuce) assessed as inhibition of seed germination after 48 hr Lactuca sativa 34000.0 nM
Toxicity in Artemia salina (brine shrimp) larvae assessed as mortality Artemia salina 638300.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL2272681