canSAR2100382
FEATURES
Loading...
NAMES
    SMILES
    C[C@@]12[C@H]3C[C@H]([C@H](O)C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O
    InChI
    InChI=1S/C17H17F3N2O3S/c1-16-10-4-12(15(23)5-10)14(16)8-22(26(16,24)25)11-3-2-9(7-21)13(6-11)17(18,19)20/h2-3,6,10,12,14-15,23H,4-5,8H2,1H3/t10-,12-,14-,15+,16+/m0/s1
    MOLECULAR FORMULA
    C17H17F3N2O3S
    CROSS REFERENCES
    Loading...
    canSAR2100382
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight386.09
    AlogP2.50
    HBond donors1
    HBond acceptors5
    Atoms43
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100382.