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canSAR347279
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NAMES
    SMILES
    C/C(=N\N=C(/S)Nc1ncc(C2CCC2)o1)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C16H17N5O3S/c1-10(11-5-7-13(8-6-11)21(22)23)19-20-16(25)18-15-17-9-14(24-15)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H2,17,18,20,25)/b19-10+
    MOLECULAR FORMULA
    C16H17N5O3S
    CROSS REFERENCES
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    canSAR347279

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.11
    AlogP 3.97
    HBond donors 1
    HBond acceptors 8
    Atoms 42
    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 canSAR347279.