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canSAR742238
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NAMES
    SMILES
    CCCCC(=O)Nc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1
    InChI
    InChI=1S/C26H25N3O/c1-4-5-13-24(30)27-17-14-15-18-19-10-8-12-22-25(19)26(29(3)23(18)16-17)20-9-6-7-11-21(20)28(22)2/h6-12,14-16H,4-5,13H2,1-3H3/p+1
    MOLECULAR FORMULA
    C26H26N3O+
    CROSS REFERENCES
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    canSAR742238

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.21
    AlogP 5.59
    HBond donors 1
    HBond acceptors 4
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR742238.