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canSAR743289
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(C)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]
    InChI
    InChI=1S/C29H28NO5.BrH/c1-19-4-7-22(8-5-19)32-12-3-13-33-29-24-17-30-11-10-21-15-27-28(35-18-34-27)16-23(21)25(30)14-20(24)6-9-26(29)31-2;/h4-9,14-17H,3,10-13,18H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C29H28BrNO5
    CROSS REFERENCES
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    canSAR743289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.12
    AlogP 2.25
    HBond donors 0
    HBond acceptors 6
    Atoms 64
    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 canSAR743289.