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canSAR1068294
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NAMES
    SMILES
    COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2Br)CCC(N(C)C)C1
    InChI
    InChI=1S/C21H23BrN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
    MOLECULAR FORMULA
    C21H23BrN2O3S
    CROSS REFERENCES
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    canSAR1068294

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.06
    AlogP 4.07
    HBond donors 0
    HBond acceptors 5
    Atoms 51
    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 canSAR1068294.