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canSAR1146680
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NAMES
    SMILES
    COc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23
    InChI
    InChI=1S/C39H38N2O4/c1-40-23-27(22-26-12-4-6-19-32(26)44-2)36(42)38(24-40)35(28-15-5-7-20-33(28)45-3)31-18-8-9-21-41(31)39(38)30-17-11-14-25-13-10-16-29(34(25)30)37(39)43/h4-7,10-17,19-20,22,31,35H,8-9,18,21,23-24H2,1-3H3/b27-22+/t31-,35-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C39H38N2O4
    CROSS REFERENCES
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    canSAR1146680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.28
    AlogP 6.49
    HBond donors 0
    HBond acceptors 6
    Atoms 83
    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 canSAR1146680.