canSAR633286
FEATURES
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NAMES
    SMILES
    O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCNCC3)c21
    InChI
    InChI=1S/C13H13BrF3N3O2S/c14-10-8-6(19-12(22)13(15,16)17)5-7(21)9(8)11(23-10)20-3-1-18-2-4-20/h6,18H,1-5H2,(H,19,22)
    MOLECULAR FORMULA
    C13H13BrF3N3O2S
    CROSS REFERENCES
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    canSAR633286
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.99
    AlogP2.23
    HBond donors2
    HBond acceptors5
    Atoms36
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR633286.