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canSAR2093183
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NAMES
    SMILES
    [N-]=[N+]=Nc1nc2c(Cl)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C9H8ClN7O2S/c10-6-4-7(13-2-12-6)17(9(14-4)15-16-11)8-5(19)3(18)1-20-8/h2-3,5,8,18-19H,1H2/t3-,5-,8-/m1/s1
    MOLECULAR FORMULA
    C9H8ClN7O2S
    CROSS REFERENCES
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    canSAR2093183

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.01
    AlogP 1.39
    HBond donors 2
    HBond acceptors 9
    Atoms 28
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093183.