N-(4-(1,3-DIOXOISOINDOLIN-2-YL)PHENYL)ACETAMIDE

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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 LOYJIHSAFJFQBK-UHFFFAOYSA-N
Smiles CC(=O)Nc1ccc(cc1)N2C(=O)c3ccccc3C2=O
InChI
InChI=1S/C16H12N2O3/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12N2O3
Molecular Weight 280.28
AlogP 1.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - 18270 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 18270 -

Cross References

Resources Reference
ChEMBL CHEMBL2298874
PubChem 5179365
ZINC ZINC00397740
CONTENTS