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 DLGAFBNDASCZRX-UHFFFAOYSA-N
Smiles CCC(CO)NCP1(=[Se])CNc2cccc3cccc(NC1)c23
InChI
InChI=1S/C17H24N3OPSe/c1-2-14(9-21)18-10-22(23)11-19-15-7-3-5-13-6-4-8-16(17(13)15)20-12-22/h3-8,14,18-21H,2,9-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N3OPSe
Molecular Weight 396.33

Cross References

Resources Reference
ChEMBL CHEMBL2263365
PubChem 76315836