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canSAR1503976
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NAMES
    SMILES
    Cc1c(N(Cc2ccc(OCC3CC3)c(F)c2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+]
    InChI
    InChI=1S/C28H25FN2O5S.Na/c1-18-24-5-3-2-4-22(24)15-30-27(18)31(37(34,35)23-11-9-21(10-12-23)28(32)33)16-20-8-13-26(25(29)14-20)36-17-19-6-7-19;/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,32,33);/q;+1/p-1
    MOLECULAR FORMULA
    C28H24FN2NaO5S
    CROSS REFERENCES
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    canSAR1503976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.13
    AlogP 1.23
    HBond donors 0
    HBond acceptors 7
    Atoms 62
    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 canSAR1503976.