2-(CYCLOPENTYLAMINO)-7-P-TOLYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE

/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 CJYHAKUMNBQDAQ-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)C2CC(=O)c3cnc(NC4CCCC4)nc3C2
InChI
InChI=1S/C20H23N3O/c1-13-6-8-14(9-7-13)15-10-18-17(19(24)11-15)12-21-20(23-18)22-16-4-2-3-5-16/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,21,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N3O
Molecular Weight 321.42
AlogP 4.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.88
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Inhibition of Arabidopsis thaliana recombinant ACS5 expressed in Escherichia coli (BL21) assessed as oxidation of ACC to ethylene preincubated for 30 min measured after 10 min by gas chromatography Arabidopsis thaliana 1400.0 nM
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto2-1 mutant by measuring hypocotyl elongation at 10 to 30 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing 35S::EIN3 by measuring hypocotyl elongation up to 50 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing ctr1-1 mutant by measuring hypocotyl elongation up to 50 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto1-4 mutant by measuring hypocotyl elongation up to 50 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing 35S::EIN3 by measuring hypocotyl elongation at 10 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing ctr1-1 mutant by measuring hypocotyl elongation at 10 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of ethylene biosynthesis in Arabidopsis thaliana eto1-4 expressing 5 x EBS::LUC assessed as decrease ethylene level at 10 uM 3 days after germination in dark relative to aminoethoxyvinylglycine Arabidopsis thaliana 87.0 %
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto1-4 mutant and 5 x EBS::LUC by measuring hypocotyl elongation at >5 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto1-4 mutant and 5 x EBS::LUC by measuring hypocotyl elongation at 0.1 to 1 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of ethylene biosynthesis in Arabidopsis thaliana eto1-4 expressing 5 x EBS::LUC assessed as decrease ethylene level at 10 uM 3 days after germination in dark Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto1-4 mutant and 5 x EBS::LUC at 10 uM 3 days after germination in dark by luminescence based luciferase assay Arabidopsis thaliana None
Inhibition of triple response phenotype in Arabidopsis thaliana seedlings expressing eto1-4 mutant by measuring hypocotyl elongation at 10 uM 3 days after germination in dark Arabidopsis thaliana 66.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2251970
PubChem 2946679
SureChEMBL SCHEMBL10025777
CONTENTS