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canSAR1621246
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NAMES
    SMILES
    CSc1nn(CC(=O)Nc2cc(C)ccc2C)c(N)c1S(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C20H22N4O3S2/c1-13-9-10-14(2)16(11-13)22-17(25)12-24-19(21)18(20(23-24)28-3)29(26,27)15-7-5-4-6-8-15/h4-11H,12,21H2,1-3H3,(H,22,25)
    MOLECULAR FORMULA
    C20H22N4O3S2
    CROSS REFERENCES
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    canSAR1621246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.11
    AlogP 3.28
    HBond donors 3
    HBond acceptors 7
    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 canSAR1621246.