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canSAR1834301
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NAMES
    SMILES
    CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1
    InChI
    InChI=1S/C24H26N4O3S/c1-16(2)23(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)25-24(32)26-22(29)21-15-17-5-3-4-6-20(17)31-21/h3-10,15-16H,11-14H2,1-2H3,(H2,25,26,29,32)
    MOLECULAR FORMULA
    C24H26N4O3S
    CROSS REFERENCES
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    canSAR1834301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.17
    AlogP 3.86
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834301.