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canSAR659254
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NAMES
    SMILES
    CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Br)c(Cl)cc3n2)CC1
    InChI
    InChI=1S/C21H24BrClN6O2S/c1-28-8-10-29(11-9-28)21-25-19-14-18(23)17(22)13-16(19)20(26-21)24-7-12-32(30,31)27-15-5-3-2-4-6-15/h2-6,13-14,27H,7-12H2,1H3,(H,24,25,26)
    MOLECULAR FORMULA
    C21H24BrClN6O2S
    CROSS REFERENCES
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    canSAR659254

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.06
    AlogP 3.65
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    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 canSAR659254.