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canSAR1094293
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NAMES
    SMILES
    C[C@@H](Nc1c(C#N)cnc2cc(-c3ccc(-n4ccoc4=O)cc3)ccc12)C1CC1
    InChI
    InChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1
    MOLECULAR FORMULA
    C24H20N4O2
    CROSS REFERENCES
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    canSAR1094293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.16
    AlogP 4.73
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    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 canSAR1094293.