Synonyms
Molecule Category Free-form
UNII J265GZ7MFJ
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 IQVNEKKDSLOHHK-FNCQTZNRSA-N
Smiles CC1(C)CNC(=NN=C(\C=C\c2ccc(cc2)C(F)(F)F)\C=C\c3ccc(cc3)C(F)(F)F)NC1
InChI
InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H24F6N4
Molecular Weight 494.48
AlogP 6.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 48.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Drosophila melanogaster
- 470000-480000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL464812
FDA SRS J265GZ7MFJ
PubChem 5281875
SureChEMBL SCHEMBL26691
ZINC ZINC04098975