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canSAR1026335
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(=O)C(F)(F)F)CC2=O
    InChI
    InChI=1S/C20H18F3NO6/c1-28-15-7-12-14(26)8-13(24-19(27)20(21,22)23)11-6-9(25)4-5-10(11)16(12)18(30-3)17(15)29-2/h4-7,13,25H,8H2,1-3H3,(H,24,27)
    MOLECULAR FORMULA
    C20H18F3NO6
    CROSS REFERENCES
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    canSAR1026335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.11
    AlogP 3.39
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1026335.