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canSAR55027
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NAMES
    SMILES
    CCc1cc(Nc2cc(=O)n(CCCCN3CCC(O)(c4ccccc4)CC3)c(=O)[nH]2)ccc1C
    InChI
    InChI=1S/C28H36N4O3/c1-3-22-19-24(12-11-21(22)2)29-25-20-26(33)32(27(34)30-25)16-8-7-15-31-17-13-28(35,14-18-31)23-9-5-4-6-10-23/h4-6,9-12,19-20,29,35H,3,7-8,13-18H2,1-2H3,(H,30,34)
    MOLECULAR FORMULA
    C28H36N4O3
    CROSS REFERENCES
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    canSAR55027

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.28
    AlogP 3.91
    HBond donors 3
    HBond acceptors 7
    Atoms 71
    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 canSAR55027.