(4-BENZYLPIPERIDIN-1-YL)(2-FLUOROPHENYL)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 LEVTWCPGXIVKEH-UHFFFAOYSA-N
Smiles Fc1ccccc1C(=O)N2CCC(Cc3ccccc3)CC2
InChI
InChI=1S/C19H20FNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20FNO
Molecular Weight 297.37
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mycobacterium tuberculosis
- 14125.38 - - -

Cross References

Resources Reference
ChEMBL CHEMBL437002
PubChem 667749
ZINC ZINC00027165
CONTENTS