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canSAR1592980
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NAMES
    SMILES
    Nc1ccc(/N=N\c2ccc(-c3ccc(O)cc3)cc2)c2ccc(S(=O)(=O)[O-])cc12.[Na+]
    InChI
    InChI=1S/C22H17N3O4S.Na/c23-21-11-12-22(19-10-9-18(13-20(19)21)30(27,28)29)25-24-16-5-1-14(2-6-16)15-3-7-17(26)8-4-15;/h1-13,26H,23H2,(H,27,28,29);/q;+1/p-1/b25-24-;
    MOLECULAR FORMULA
    C22H16N3NaO4S
    CROSS REFERENCES
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    canSAR1592980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.08
    AlogP 2.12
    HBond donors 3
    HBond acceptors 7
    Atoms 47
    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 canSAR1592980.