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canSAR83068
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NAMES
    SMILES
    CCNc1ncc(C#Cc2ccccc2)cn1
    InChI
    InChI=1S/C14H13N3/c1-2-15-14-16-10-13(11-17-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2H2,1H3,(H,15,16,17)
    MOLECULAR FORMULA
    C14H13N3
    CROSS REFERENCES
    83068 logo

    canSAR83068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 223.11
    AlogP 2.31
    HBond donors 1
    HBond acceptors 3
    Atoms 30
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR83068.