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canSAR349884
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NAMES
    SMILES
    Cc1ccccc1NC(=S)N/N=C\c1c[nH]c2ccccc12
    InChI
    InChI=1S/C17H16N4S/c1-12-6-2-4-8-15(12)20-17(22)21-19-11-13-10-18-16-9-5-3-7-14(13)16/h2-11,18H,1H3,(H2,20,21,22)/b19-11-
    MOLECULAR FORMULA
    C17H16N4S
    CROSS REFERENCES
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    canSAR349884

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.11
    AlogP 3.80
    HBond donors 3
    HBond acceptors 4
    Atoms 38
    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 canSAR349884.