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canSAR1130817
FEATURES
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NAMES
    SMILES
    CC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1
    InChI
    InChI=1S/C25H28N4O3S/c1-17(2)16-26-22(30)15-18-10-12-20(13-11-18)27-25-23-21(9-6-14-33(23,31)32)28-24(29-25)19-7-4-3-5-8-19/h3-5,7-8,10-13,17H,6,9,14-16H2,1-2H3,(H,26,30)(H,27,28,29)
    MOLECULAR FORMULA
    C25H28N4O3S
    CROSS REFERENCES
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    canSAR1130817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.19
    AlogP 3.92
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR1130817.