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canSAR1637037
FEATURES
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NAMES
    SMILES
    O=C(O)c1ccccc1/N=N\c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[Na+]
    InChI
    InChI=1S/C17H12N2O9S2.Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);/q;+1/b19-18-;
    MOLECULAR FORMULA
    C17H12N2NaO9S2+
    CROSS REFERENCES
    1637037 logo

    canSAR1637037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.99
    AlogP 0.16
    HBond donors 4
    HBond acceptors 11
    Atoms 43
    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 canSAR1637037.