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canSAR1106251
FEATURES
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NAMES
    SMILES
    COc1c(C(=O)Nc2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C
    InChI
    InChI=1S/C28H37N5O7S/c1-28(2,3)23-18-21(33-10-9-24(34)30-27(33)36)17-22(25(23)39-4)26(35)29-19-5-7-20(8-6-19)31-41(37,38)16-13-32-11-14-40-15-12-32/h5-8,17-18,31H,9-16H2,1-4H3,(H,29,35)(H,30,34,36)
    MOLECULAR FORMULA
    C28H37N5O7S
    CROSS REFERENCES
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    canSAR1106251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.24
    AlogP 2.77
    HBond donors 3
    HBond acceptors 12
    Atoms 78
    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 canSAR1106251.