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canSAR462643
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NAMES
    SMILES
    COc1cccc([C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2OC)Nc2ccc(C#N)c3ccccc23)c1
    InChI
    InChI=1S/C29H24F3N3O3/c1-37-21-7-5-6-18(14-21)25(34-24-12-10-19(17-33)22-8-3-4-9-23(22)24)16-28(36)35-26-15-20(29(30,31)32)11-13-27(26)38-2/h3-15,25,34H,16H2,1-2H3,(H,35,36)
    MOLECULAR FORMULA
    C29H24F3N3O3
    CROSS REFERENCES
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    canSAR462643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.18
    AlogP 6.93
    HBond donors 2
    HBond acceptors 6
    Atoms 62
    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 canSAR462643.