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canSAR120680
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NAMES
    SMILES
    CCCn1c(=O)c2nc(C(c3ccccc3)C3CC3)[nH]c2n(CCC)c1=O
    InChI
    InChI=1S/C21H26N4O2/c1-3-12-24-19-17(20(26)25(13-4-2)21(24)27)22-18(23-19)16(15-10-11-15)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C21H26N4O2
    CROSS REFERENCES
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    canSAR120680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 366.21
    AlogP 3.25
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR120680.