canSAR943067
FEATURES
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NAMES
    SMILES
    Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(O)c(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
    InChI
    InChI=1S/C21H14N2O8S.Na/c22-18-15(32(29,30)31)8-13(23-9-5-6-14(24)12(7-9)21(27)28)16-17(18)20(26)11-4-2-1-3-10(11)19(16)25;/h1-8,23-24H,22H2,(H,27,28)(H,29,30,31);/q;+1/p-1
    MOLECULAR FORMULA
    C21H13N2NaO8S
    CROSS REFERENCES
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    canSAR943067
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight476.03
    AlogP-0.90
    HBond donors5
    HBond acceptors10
    Atoms46
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR943067.