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canSAR1152447
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NAMES
    SMILES
    COc1ccc(OC)c(CNC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c1
    InChI
    InChI=1S/C26H31NO4/c1-30-21-4-6-24(31-2)20(10-21)15-27-25(29)19-3-5-23(28)22(11-19)26-12-16-7-17(13-26)9-18(8-16)14-26/h3-6,10-11,16-18,28H,7-9,12-15H2,1-2H3,(H,27,29)
    MOLECULAR FORMULA
    C26H31NO4
    CROSS REFERENCES
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    canSAR1152447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.23
    AlogP 4.81
    HBond donors 2
    HBond acceptors 5
    Atoms 62
    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 canSAR1152447.