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canSAR2048256
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NAMES
    SMILES
    CC(O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F
    InChI
    InChI=1S/C20H13F9N2O2S/c1-17(33,16(32)31-15-3-2-10(8-30)4-14(15)20(27,28)29)9-34-13-6-11(18(21,22)23)5-12(7-13)19(24,25)26/h2-7,33H,9H2,1H3,(H,31,32)
    MOLECULAR FORMULA
    C20H13F9N2O2S
    CROSS REFERENCES
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    canSAR2048256

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.06
    AlogP 6.10
    HBond donors 2
    HBond acceptors 4
    Atoms 47
    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 canSAR2048256.