canSAR386216
FEATURES
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NAMES
    SMILES
    Cn1cncc1CCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1
    InChI
    InChI=1S/C19H17N7S/c1-26-12-21-11-13(26)6-8-22-19-23-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,24H,6,8H2,1H3,(H,22,23,25)/b18-14+
    MOLECULAR FORMULA
    C19H17N7S
    CROSS REFERENCES
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    canSAR386216
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight375.13
    AlogP3.27
    HBond donors2
    HBond acceptors7
    Atoms44
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386216.