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canSAR744966
FEATURES
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCCOc1ccc(Br)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]
    InChI
    InChI=1S/C29H27BrNO5.BrH/c1-32-26-9-4-19-14-25-23-16-28-27(35-18-36-28)15-20(23)10-11-31(25)17-24(19)29(26)34-13-3-2-12-33-22-7-5-21(30)6-8-22;/h4-9,14-17H,2-3,10-13,18H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C29H27Br2NO5
    CROSS REFERENCES
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    canSAR744966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.03
    AlogP 3.09
    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 canSAR744966.