canSAR2165402
FEATURES
Loading...
NAMES
    SMILES
    CN[C@@H]1CCC(n2cc(C(=N)O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1
    InChI
    InChI=1S/C19H21F3N6O3S/c1-25-13-4-7-16(11(8-13)9-23)28-10-15(17(24)29)18(27-28)26-12-2-5-14(6-3-12)32(30,31)19(20,21)22/h2-3,5-6,10-11,13,16,25H,4,7-8H2,1H3,(H2,24,29)(H,26,27)/t11-,13+,16?/m0/s1
    MOLECULAR FORMULA
    C19H21F3N6O3S
    CROSS REFERENCES
    Loading...
    canSAR2165402
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight470.13
    AlogP3.26
    HBond donors4
    HBond acceptors9
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2165402.