canSAR2080151
FEATURES
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NAMES
    SMILES
    CC1(C)[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
    InChI
    InChI=1S/C16H18N6O9S2/c1-16(2)12(14(26)22(16)33(28,29)30)19-13(25)11(8-6-32-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1
    MOLECULAR FORMULA
    C16H18N6O9S2
    CROSS REFERENCES
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    canSAR2080151
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight502.06
    AlogP-1.34
    HBond donors6
    HBond acceptors15
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080151.