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canSAR78597
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NAMES
    SMILES
    C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C#N)cn2)CC1
    InChI
    InChI=1S/C21H24N6O/c1-3-17-5-6-18(13-23)27(17)20(28)15-25-21(2)8-10-26(11-9-21)19-7-4-16(12-22)14-24-19/h1,4,7,14,17-18,25H,5-6,8-11,15H2,2H3/t17-,18-/m0/s1
    MOLECULAR FORMULA
    C21H24N6O
    CROSS REFERENCES
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    canSAR78597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.20
    AlogP 1.42
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR78597.