N-BUTYL-3-(1H-INDOL-3-YL)PROPANAMIDE

/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 HSDPFNPNXLHADY-UHFFFAOYSA-N
Smiles CCCCNC(=O)CCc1c[nH]c2ccccc12
InChI
InChI=1S/C15H20N2O/c1-2-3-10-16-15(18)9-8-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2O
Molecular Weight 244.33
AlogP 3.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 44.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 28-100

Cross References

Resources Reference
ChEMBL CHEMBL2260857
PubChem 4806862
ZINC ZINC07735055
CONTENTS