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canSAR1587472
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NAMES
    SMILES
    CC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1
    InChI
    InChI=1S/C18H22N4O2/c1-14(23)21-8-3-6-18(12-21)7-9-22(13-18)17(24)20-16-5-2-4-15(10-16)11-19/h2,4-5,10H,3,6-9,12-13H2,1H3,(H,20,24)/t18-/m1/s1
    MOLECULAR FORMULA
    C18H22N4O2
    CROSS REFERENCES
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    canSAR1587472

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 326.17
    AlogP 2.42
    HBond donors 1
    HBond acceptors 6
    Atoms 46
    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 canSAR1587472.