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canSAR1099047
FEATURES
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NAMES
    SMILES
    COc1cccc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1
    InChI
    InChI=1S/C27H29FN4O5S/c1-17-11-12-20(14-21(17)28)38(35,36)31-25-24-22(9-6-10-23(24)37-4)32(30-25)16-19-8-5-7-18(13-19)15-29-26(33)27(2,3)34/h5-14,34H,15-16H2,1-4H3,(H,29,33)(H,30,31)
    MOLECULAR FORMULA
    C27H29FN4O5S
    CROSS REFERENCES
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    canSAR1099047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.18
    AlogP 3.73
    HBond donors 3
    HBond acceptors 9
    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 canSAR1099047.