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 FMJYRVOHQAOYFG-UHFFFAOYSA-N
Smiles Oc1ccc2OC3(CCCC3)C4=C(N=N[Se]4)c2c1
InChI
InChI=1S/C13H12N2O2Se/c16-8-3-4-10-9(7-8)11-12(18-15-14-11)13(17-10)5-1-2-6-13/h3-4,7,16H,1-2,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12N2O2Se
Molecular Weight 307.21

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus aethiops
- 60000 - - -
Homo sapiens
- 60000-70000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2297428
PubChem 76324123