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canSAR1149772
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NAMES
    SMILES
    Cc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)cc2c1
    InChI
    InChI=1S/C21H17ClN4O4S/c1-12-7-8-16-13(9-12)10-14(20(22)24-16)11-23-25-21(28)18-19(27)15-5-3-4-6-17(15)31(29,30)26(18)2/h3-11,27H,1-2H3,(H,25,28)/b23-11+
    MOLECULAR FORMULA
    C21H17ClN4O4S
    CROSS REFERENCES
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    canSAR1149772

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.07
    AlogP 3.21
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149772.