2-FLUORO-N-(PIPERIDIN-1-YL)BENZAMIDE

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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 VXJCMNIMWGKSGI-UHFFFAOYSA-N
Smiles Fc1ccccc1C(=O)NN2CCCCC2
InChI
InChI=1S/C12H15FN2O/c13-11-7-3-2-6-10(11)12(16)14-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15FN2O
Molecular Weight 222.26
AlogP 1.87
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Botryotinia fuckeliana
- - - - 46-51

Cross References

Resources Reference
ChEMBL CHEMBL2251383
PubChem 9271847
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