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canSAR1589228
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NAMES
    SMILES
    COC(=O)c1ccc(NC(=O)C(=O)NCC(c2cccnc2)N2CCc3ccccc32)cc1
    InChI
    InChI=1S/C25H24N4O4/c1-33-25(32)18-8-10-20(11-9-18)28-24(31)23(30)27-16-22(19-6-4-13-26-15-19)29-14-12-17-5-2-3-7-21(17)29/h2-11,13,15,22H,12,14,16H2,1H3,(H,27,30)(H,28,31)
    MOLECULAR FORMULA
    C25H24N4O4
    CROSS REFERENCES
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    canSAR1589228

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.18
    AlogP 2.73
    HBond donors 2
    HBond acceptors 8
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589228.