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canSAR1205531
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NAMES
    SMILES
    CS(=O)(=O)Nc1ccc(Nc2cc(N=[N+]=[N-])nc3ccccc23)cc1
    InChI
    InChI=1S/C16H14N6O2S/c1-25(23,24)21-12-8-6-11(7-9-12)18-15-10-16(20-22-17)19-14-5-3-2-4-13(14)15/h2-10,21H,1H3,(H,18,19)
    MOLECULAR FORMULA
    C16H14N6O2S
    CROSS REFERENCES
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    canSAR1205531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.09
    AlogP 4.29
    HBond donors 2
    HBond acceptors 8
    Atoms 39
    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 canSAR1205531.