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 UQUSELPXMXMCAB-UHFFFAOYSA-N
Smiles COc1ccc(cc1)C(O)(CC[Si](C)(C)C)Cn2cncn2
InChI
InChI=1S/C16H25N3O2Si/c1-21-15-7-5-14(6-8-15)16(20,9-10-22(2,3)4)11-19-13-17-12-18-19/h5-8,12-13,20H,9-11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25N3O2Si
Molecular Weight 319.47

Cross References

Resources Reference
ChEMBL CHEMBL2268754
PubChem 11726933