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canSAR1265780
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
    InChI
    InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
    MOLECULAR FORMULA
    C29H27F2NO2
    CROSS REFERENCES
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    canSAR1265780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.20
    AlogP 6.31
    HBond donors 0
    HBond acceptors 3
    Atoms 61
    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 canSAR1265780.