canSAR587119
FEATURES
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NAMES
    SMILES
    O=S(=O)([O-])c1ccc(N=C2C=CC(=C(c3ccc(Nc4cccc(S(=O)(=O)[O-])c4)cc3)c3ccc(Nc4cccc(S(=O)(=O)O)c4)cc3)C=C2)cc1.[Na+].[Na+]
    InChI
    InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49;;/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C37H27N3Na2O9S3
    CROSS REFERENCES
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    canSAR587119
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight799.07
    AlogP0.94
    HBond donors3
    HBond acceptors12
    Atoms81
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR587119.