MEPANIPYRIM

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UNII B150X76OJY
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 CIFWZNRJIBNXRE-UHFFFAOYSA-N
Smiles CC#Cc1cc(C)nc(Nc2ccccc2)n1
InChI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13N3
Molecular Weight 223.27
AlogP 3.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 infected in strawberry fruit assessed as inhibition of mycelial growth at 200 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 infected in strawberry fruit assessed as inhibition of mycelial growth at 100 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 infected in strawberry fruit assessed as inhibition of mycelial growth at 50 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 infected in strawberry fruit assessed as inhibition of mycelial growth at 200 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 infected in strawberry fruit assessed as inhibition of mycelial growth at 100 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 infected in strawberry fruit assessed as inhibition of mycelial growth at 50 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 infected in strawberry fruit assessed as inhibition of mycelial growth at 200 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 infected in strawberry fruit assessed as inhibition of mycelial growth at 100 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 infected in strawberry fruit assessed as inhibition of mycelial growth at 50 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 infected in strawberry fruit assessed as inhibition of mycelial growth at 200 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 infected in strawberry fruit assessed as inhibition of mycelial growth at 100 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 infected in strawberry fruit assessed as inhibition of mycelial growth at 50 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 infected in strawberry fruit assessed as inhibition of mycelial growth at 200 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 infected in strawberry fruit assessed as inhibition of mycelial growth at 100 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 infected in strawberry fruit assessed as inhibition of mycelial growth at 50 mg/l treated 2-3 hr before challenge measured after 5 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 100 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 30 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 10 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 3 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 1 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 0.3 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-59 isolated from grape plant assessed as inhibition of mycelial growth at 0.1 mg/l after 4 days Botryotinia fuckeliana 86.4 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 100 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 30 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 10 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 3 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 1 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 0.3 mg/l after 4 days Botryotinia fuckeliana 100.0 %
Fungicidal activity against anilinopyrimidine-sensitive Botryotinia fuckeliana KU-01 isolated from grape plant assessed as inhibition of mycelial growth at 0.1 mg/l after 4 days Botryotinia fuckeliana 75.5 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 100 mg/l after 4 days Botryotinia fuckeliana 70.8 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 30 mg/l after 4 days Botryotinia fuckeliana 66.2 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 10 mg/l after 4 days Botryotinia fuckeliana 67.1 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 3 mg/l after 4 days Botryotinia fuckeliana 57.9 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 1 mg/l after 4 days Botryotinia fuckeliana 38.3 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 0.3 mg/l after 4 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH164.94 isolated from grape plant assessed as inhibition of mycelial growth at 0.1 mg/l after 4 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 100 mg/l after 4 days Botryotinia fuckeliana 75.4 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 30 mg/l after 4 days Botryotinia fuckeliana 74.1 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 10 mg/l after 4 days Botryotinia fuckeliana 72.6 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 3 mg/l after 4 days Botryotinia fuckeliana 65.7 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 1 mg/l after 4 days Botryotinia fuckeliana 34.9 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 0.3 mg/l after 4 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 0.1 mg/l after 4 days Botryotinia fuckeliana 0.0 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 0.3 mg/l after 4 days Botryotinia fuckeliana 19.8 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 1 mg/l after 4 days Botryotinia fuckeliana 42.6 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 3 mg/l after 4 days Botryotinia fuckeliana 60.1 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 10 mg/l after 4 days Botryotinia fuckeliana 65.7 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 30 mg/l after 4 days Botryotinia fuckeliana 63.2 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH12.92 isolated from grape plant assessed as inhibition of mycelial growth at 100 mg/l after 4 days Botryotinia fuckeliana 70.4 %
Fungicidal activity against anilinopyrimidine-resistant Botryotinia fuckeliana CH15.93 isolated from grape plant assessed as inhibition of mycelial growth at 0.1 mg/l after 4 days Botryotinia fuckeliana 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2269513
FDA SRS B150X76OJY
PubChem 86296
SureChEMBL SCHEMBL22040
ZINC ZINC00900546
CONTENTS