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canSAR841469
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NAMES
    SMILES
    COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1
    InChI
    InChI=1S/C28H36N2O2/c1-28(2,18-21-13-14-23-9-4-5-10-24(23)16-21)29-19-27(31)26-12-7-15-30(26)20-22-8-6-11-25(17-22)32-3/h4-6,8-11,13-14,16-17,26-27,29,31H,7,12,15,18-20H2,1-3H3/t26-,27-/m1/s1
    MOLECULAR FORMULA
    C28H36N2O2
    CROSS REFERENCES
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    canSAR841469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.28
    AlogP 4.78
    HBond donors 2
    HBond acceptors 4
    Atoms 68
    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 canSAR841469.