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canSAR1764895
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NAMES
    SMILES
    CC/N=C(\N/N=C/c1ccc([N+](=O)[O-])cc1)SC.I
    InChI
    InChI=1S/C11H14N4O2S.HI/c1-3-12-11(18-2)14-13-8-9-4-6-10(7-5-9)15(16)17;/h4-8H,3H2,1-2H3,(H,12,14);1H/b13-8+;
    MOLECULAR FORMULA
    C11H15IN4O2S
    CROSS REFERENCES
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    canSAR1764895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.00
    AlogP 2.88
    HBond donors 1
    HBond acceptors 6
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1764895.