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canSAR1446681
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NAMES
    SMILES
    Cc1c(N[S+](=O)([O-])c2ccc(-c3cccc(C4CCNCC4)c3)cc2)c(CC(C)C)nn1C
    InChI
    InChI=1S/C26H34N4O2S/c1-18(2)16-25-26(19(3)30(4)28-25)29-33(31,32)24-10-8-20(9-11-24)22-6-5-7-23(17-22)21-12-14-27-15-13-21/h5-11,17-18,21,27H,12-16H2,1-4H3,(H-,29,31,32)
    MOLECULAR FORMULA
    C26H34N4O2S
    CROSS REFERENCES
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    canSAR1446681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.24
    AlogP 5.08
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    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 canSAR1446681.