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canSAR845276
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NAMES
    SMILES
    COc1cc2c(cc1OC)[C@@H]1[C@H](C2=O)c2ccc([N+](=O)[O-])cc2C(=O)N1CCCBr
    InChI
    InChI=1S/C21H19BrN2O6/c1-29-16-9-13-14(10-17(16)30-2)20(25)18-12-5-4-11(24(27)28)8-15(12)21(26)23(19(13)18)7-3-6-22/h4-5,8-10,18-19H,3,6-7H2,1-2H3/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C21H19BrN2O6
    CROSS REFERENCES
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    canSAR845276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.04
    AlogP 3.87
    HBond donors 0
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR845276.