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canSAR1503039
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(N)c1.[Na+]
    InChI
    InChI=1S/C25H21N3O11S3.Na/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39;/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39);/q;+1/p-1
    MOLECULAR FORMULA
    C25H20N3NaO11S3
    CROSS REFERENCES
    1503039 logo

    canSAR1503039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.02
    AlogP -0.36
    HBond donors 6
    HBond acceptors 14
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503039.