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canSAR1725153
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NAMES
    SMILES
    COc1ccc2nc(O)c(CN(CC3CCCO3)S(=O)(=O)c3ccccc3F)cc2c1
    InChI
    InChI=1S/C22H23FN2O5S/c1-29-17-8-9-20-15(12-17)11-16(22(26)24-20)13-25(14-18-5-4-10-30-18)31(27,28)21-7-3-2-6-19(21)23/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,24,26)
    MOLECULAR FORMULA
    C22H23FN2O5S
    CROSS REFERENCES
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    canSAR1725153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.13
    AlogP 3.46
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1725153.