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canSAR1444039
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NAMES
    SMILES
    COc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C
    InChI
    InChI=1S/C25H35N3O3/c1-25(2,3)27-24(29)18-31-22-13-8-19(16-23(22)30-4)17-26-20-9-11-21(12-10-20)28-14-6-5-7-15-28/h8-13,16,26H,5-7,14-15,17-18H2,1-4H3,(H,27,29)
    MOLECULAR FORMULA
    C25H35N3O3
    CROSS REFERENCES
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    canSAR1444039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.27
    AlogP 4.59
    HBond donors 2
    HBond acceptors 6
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444039.