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 VIDRAPIHUNFCBH-UHFFFAOYSA-N
Smiles CCc1nn(C)c(C(=O)NCc2ccc(cc2)[Si](C)(C)C)c1Cl
InChI
InChI=1S/C17H24ClN3OSi/c1-6-14-15(18)16(21(2)20-14)17(22)19-11-12-7-9-13(10-8-12)23(3,4)5/h7-10H,6,11H2,1-5H3,(H,19,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24ClN3OSi
Molecular Weight 349.93

Cross References

Resources Reference
ChEMBL CHEMBL2286017
PubChem 14601630