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canSAR2052921
FEATURES
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NAMES
    SMILES
    C[C@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
    InChI
    InChI=1S/C20H13F9N2O4S/c1-17(33,16(32)31-13-3-2-10(8-30)15(7-13)20(27,28)29)9-36(34,35)14-5-11(18(21,22)23)4-12(6-14)19(24,25)26/h2-7,33H,9H2,1H3,(H,31,32)/t17-/m0/s1
    MOLECULAR FORMULA
    C20H13F9N2O4S
    CROSS REFERENCES
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    canSAR2052921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.05
    AlogP 4.78
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR2052921.