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 MBRNCSRTKHAGGB-UHFFFAOYSA-N
Smiles C[Si](C)(C)CC(O)(Cn1cncn1)c2ccc(F)cc2F
InChI
InChI=1S/C14H19F2N3OSi/c1-21(2,3)8-14(20,7-19-10-17-9-18-19)12-5-4-11(15)6-13(12)16/h4-6,9-10,20H,7-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19F2N3OSi
Molecular Weight 311.4

Cross References

Resources Reference
ChEMBL CHEMBL2269862
PubChem 10662832
SureChEMBL SCHEMBL1576929