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canSAR925820
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NAMES
    SMILES
    C[C@@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1
    InChI
    InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m0/s1
    MOLECULAR FORMULA
    C25H26N4O3
    CROSS REFERENCES
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    canSAR925820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.20
    AlogP 3.92
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    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 canSAR925820.