canSAR1586557
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N=Nc3c(O)ccc4ccccc34)c2)c1-c1ccccc1
    InChI
    InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)
    MOLECULAR FORMULA
    C31H24N8O6S2
    CROSS REFERENCES
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    canSAR1586557
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight668.13
    AlogP5.74
    HBond donors4
    HBond acceptors14
    Atoms71
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1586557.