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canSAR2018437
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NAMES
    SMILES
    CCN(CC)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)c(OCC=C(C)C)c1
    InChI
    InChI=1S/C28H33NO4/c1-5-29(6-2)24-12-10-23(28(19-24)33-18-17-21(3)4)11-16-27(32)20-26(31)15-9-22-7-13-25(30)14-8-22/h7-17,19,30H,5-6,18,20H2,1-4H3/b15-9+,16-11+
    MOLECULAR FORMULA
    C28H33NO4
    CROSS REFERENCES
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    canSAR2018437

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.24
    AlogP 5.84
    HBond donors 1
    HBond acceptors 5
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2018437.