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canSAR725692
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc2c(O)c(/N=N/c3ccc(C(=O)O)cc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(/N=N/c3ccc(C(=O)O)cc3)c(S(=O)(=O)O)cc2c1
    InChI
    InChI=1S/C35H24N6O13S2/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54)/b40-38+,41-39+
    MOLECULAR FORMULA
    C35H24N6O13S2
    CROSS REFERENCES
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    canSAR725692

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 800.08
    AlogP 7.77
    HBond donors 8
    HBond acceptors 19
    Atoms 80
    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 canSAR725692.