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canSAR1027166
FEATURES
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NAMES
    SMILES
    Cc1nc(NCCC(F)(F)F)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
    InChI
    InChI=1S/C21H24F3N5O3S/c1-10-15(19-28-12-4-2-3-5-14(12)33-19)18(27-13-8-11(9-30)16(31)17(13)32)29-20(26-10)25-7-6-21(22,23)24/h2-5,11,13,16-17,30-32H,6-9H2,1H3,(H2,25,26,27,29)/t11-,13-,16-,17+/m1/s1
    MOLECULAR FORMULA
    C21H24F3N5O3S
    CROSS REFERENCES
    1027166 logo

    canSAR1027166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.16
    AlogP 2.94
    HBond donors 5
    HBond acceptors 8
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1027166.