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canSAR74962
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NAMES
    SMILES
    Cn1c([S-])n[n+]2c(N)c(C#N)c(-c3ccccc3OCCCOc3ccccc3-c3c(C#N)c(N)[n+]4nc([S-])n(C)c4c3C#N)c(C#N)c12
    InChI
    InChI=1S/C33H24N12O2S2/c1-42-30-22(16-36)26(20(14-34)28(38)44(30)40-32(42)48)18-8-3-5-10-24(18)46-12-7-13-47-25-11-6-4-9-19(25)27-21(15-35)29(39)45-31(23(27)17-37)43(2)33(49)41-45/h3-6,8-11,38-39H,7,12-13H2,1-2H3,(H2,40,41,48,49)
    MOLECULAR FORMULA
    C33H24N12O2S2
    CROSS REFERENCES
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    canSAR74962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 684.16
    AlogP 2.28
    HBond donors 4
    HBond acceptors 14
    Atoms 73
    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 canSAR74962.