canSAR2165359
FEATURES
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NAMES
    SMILES
    CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccno4)c(OCC(=O)O)c3)CC2)cc1
    InChI
    InChI=1S/C25H28N4O8S/c1-17(2)36-19-4-6-20(7-5-19)38(33,34)29-13-11-28(12-14-29)18-3-8-21(23(15-18)35-16-24(30)31)27-25(32)22-9-10-26-37-22/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,32)(H,30,31)
    MOLECULAR FORMULA
    C25H28N4O8S
    CROSS REFERENCES
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    canSAR2165359
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight544.16
    AlogP2.69
    HBond donors2
    HBond acceptors12
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2165359.