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canSAR1621132
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NAMES
    SMILES
    Cc1sc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1-c1ccccc1
    InChI
    InChI=1S/C22H22N4O4S2/c1-15-21(16-5-3-2-4-6-16)24-22(31-15)25-9-11-26(12-10-25)32(28,29)17-7-8-19-18(13-17)23-20(27)14-30-19/h2-8,13H,9-12,14H2,1H3,(H,23,27)
    MOLECULAR FORMULA
    C22H22N4O4S2
    CROSS REFERENCES
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    canSAR1621132

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.11
    AlogP 2.96
    HBond donors 1
    HBond acceptors 8
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621132.