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 AQKKRXMVSOXABZ-UHFFFAOYSA-N
Smiles OC(=O)CCNc1ccccc1
InChI
InChI=1S/C9H11NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11NO2
Molecular Weight 165.19
AlogP 1.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice yield at 15% with formulation dose of 200 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 5940.6 +/-1.8 kg/hm'2) Magnaporthe oryzae 6480.5 Kg/hr.m2
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice yield at 15% with formulation dose of 400 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 5940.6 +/-1.8 kg/hm'2) Magnaporthe oryzae 6275.7 Kg/hr.m2
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy at 15% with formulation dose of 200 g/667 m'2 applied using knapsack sprayer measured under field trials Magnaporthe oryzae 68.3 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy at 15% with formulation dose of 400 g/667 m'2 applied using knapsack sprayer measured under field trials Magnaporthe oryzae 75.5 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence at 15% with formulation dose of 200 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 43.7 +/-5.4%) Magnaporthe oryzae 18.3 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence at 15% with formulation dose of 400 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 43.7 +/-5.4%) Magnaporthe oryzae 18.3 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy treated after fungal inoculation at 15% measured under green house conditions Magnaporthe oryzae 73.6 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy treated 24 hr prior to fungal inoculation at 15% measured at 6 days post-inoculation under green house conditions Magnaporthe oryzae 74.3 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence treated after fungal inoculation at 15% measured under green house conditions (Rvb = 92.4 +/-5.6%) Magnaporthe oryzae 60.0 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence treated 24 hr prior to fungal inoculation at 15% measured at 6 days post-inoculation under green house conditions (Rvb = 92.4 +/-5.6%) Magnaporthe oryzae 62.5 %

Cross References

Resources Reference
ChEMBL CHEMBL2286760
PubChem 244082
SureChEMBL SCHEMBL433918