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canSAR1511726
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)c1cc2ccc(Nc3ccccc3)cc2c(O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)cc1
    InChI
    InChI=1S/C36H27N5O6S/c1-48(46,47)33-19-24-11-16-28(37-25-5-3-2-4-6-25)20-30(24)35(43)34(33)41-39-27-14-9-23(10-15-27)22-7-12-26(13-8-22)38-40-29-17-18-32(42)31(21-29)36(44)45/h2-21,37,42-43H,1H3,(H,44,45)
    MOLECULAR FORMULA
    C36H27N5O6S
    CROSS REFERENCES
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    canSAR1511726

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.17
    AlogP 9.59
    HBond donors 4
    HBond acceptors 11
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1511726.