(4-CHLOROPHENYL)(6-FLUORO-4-(4-FLUOROPHENYLAMINO)-2-METHYL-3,4-DIHYDROQUINOLIN-1(2H)-YL)METHANONE

/static/temp/default.svg Search structure
Molecule Category Free-form
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 WTBVRUDVERRJSI-UHFFFAOYSA-N
Smiles CC1CC(Nc2ccc(F)cc2)c3cc(F)ccc3N1C(=O)c4ccc(Cl)cc4
InChI
InChI=1S/C23H19ClF2N2O/c1-14-12-21(27-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)28(14)23(29)15-2-4-16(24)5-3-15/h2-11,13-14,21,27H,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H19ClF2N2O
Molecular Weight 412.86
AlogP 5.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aedes aegypti
645.65 - - - -
Bombyx mori
54954.09-55000 - - - -
Spodoptera littoralis
60000 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2286418
PubChem 74987059
CONTENTS