N-(3\"-METHYLPHENYL)-2-[3-(4'-BROMO-2',6'-DIMETHYLPHENOXYMETHYL)-5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-4YL]ACETAMIDE

/static/temp/default.svg Search structure
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 XGPSDZLHXDLALO-UHFFFAOYSA-N
Smiles Cc1cccc(NC(=O)CN2C(=O)ON=C2COc3c(C)cc(Br)cc3C)c1
InChI
InChI=1S/C20H20BrN3O4/c1-12-5-4-6-16(7-12)22-18(25)10-24-17(23-28-20(24)26)11-27-19-13(2)8-15(21)9-14(19)3/h4-9H,10-11H2,1-3H3,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20BrN3O4
Molecular Weight 446.29
AlogP 4.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 80.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0
Assay Description Organism Bioactivity Reference
Lipophilicity, log P of the compound None 6.01
Fungicidal activity against Magnaporthe grisea P-2 in wounded rice plant assessed as lesions of rice blast on rice foliage disease at 10 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in wounded rice plant assessed as lesions of rice blast on rice foliage disease at 1 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in nonwounded rice plant assessed as lesions of rice blast on rice foliage disease at 10 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in nonwounded rice plant assessed as lesions of rice blast on rice foliage disease at 1 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of appressorium formation at 10 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of appressorium formation at 1 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of spore germination at 10 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of spore germination at 1 ug/ml Magnaporthe grisea 2.9 %
Inhibition of mycelial growth of Magnaporthe grisea P-2 assessed as mycelial dry weight at 0.1 to 100 ug/ml at 25 degC Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as systemic effect of rice blast disease measured as percentage of lesion area in third leaf at 100 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as curative effect of rice blast disease measured as percentage of lesion area in third leaf at 100 ug/ml Magnaporthe grisea 38.6 %
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as control of rice blast disease at 100 ug/ml measured after 14 days of treatment at 26 +/- 2 degC measured afterr 5 days Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as control of rice blast disease at 0.5 ug/ml at 26 +/- 2 degC measured after 5 days Magnaporthe grisea None
Fungicidal activity against Blumeria graminis f. sp. hordei assessed as control of barley powdery mildew at 50 ug/ml Blumeria graminis f. sp. hordei None
Fungicidal activity against Puccinia triticina assessed as control of wheat leaf rust disease at 50 ug/ml Puccinia triticina None
Fungicidal activity against Phytophthora infestans assessed as control of tomato late blight disease at 50 ug/ml Phytophthora infestans None
Fungicidal activity against Botryotinia fuckeliana assessed as control of cucumber gray mold disease at 50 ug/ml Botryotinia fuckeliana None
Fungicidal activity against Rhizoctonia solani assessed as control of rice sheath blight disease at 50 ug/ml Rhizoctonia solani None
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as control of rice blast disease at 50 ug/ml Magnaporthe grisea None

Cross References

Resources Reference
ChEMBL CHEMBL2272261
PubChem 18772476
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