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canSAR1686651
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NAMES
    SMILES
    Cc1c(N(Cc2ccc3cn[nH]c3c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12
    InChI
    InChI=1S/C25H20N4O4S/c1-16-22-5-3-2-4-19(22)13-26-24(16)29(15-17-6-7-20-14-27-28-23(20)12-17)34(32,33)21-10-8-18(9-11-21)25(30)31/h2-14H,15H2,1H3,(H,27,28)(H,30,31)
    MOLECULAR FORMULA
    C25H20N4O4S
    CROSS REFERENCES
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    canSAR1686651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.12
    AlogP 4.51
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR1686651.