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canSAR756121
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NAMES
    SMILES
    CCOc1cc(C#N)cc(OCC)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12
    InChI
    InChI=1S/C26H21N5O3/c1-3-32-22-13-18(16-28)14-23(33-4-2)24(22)34-25-20-7-5-6-8-21(20)30-26(31-25)29-19-11-9-17(15-27)10-12-19/h5-14H,3-4H2,1-2H3,(H,29,30,31)
    MOLECULAR FORMULA
    C26H21N5O3
    CROSS REFERENCES
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    canSAR756121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 5.71
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    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 canSAR756121.