canSAR587501
FEATURES
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NAMES
    SMILES
    CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3CC)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C53H44N6O23S6.6Na/c1-3-27-11-13-31(51(62)56-39-15-17-43(85(71,72)73)37-23-35(83(65,66)67)25-45(47(37)39)87(77,78)79)21-41(27)58-49(60)29-7-5-9-33(19-29)54-53(64)55-34-10-6-8-30(20-34)50(61)59-42-22-32(14-12-28(42)4-2)52(63)57-40-16-18-44(86(74,75)76)38-24-36(84(68,69)70)26-46(48(38)40)88(80,81)82;;;;;;/h5-26H,3-4H2,1-2H3,(H,56,62)(H,57,63)(H,58,60)(H,59,61)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;/q;6*+1/p-6
    MOLECULAR FORMULA
    C53H38N6Na6O23S6
    CROSS REFERENCES
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    canSAR587501
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1455.97
    AlogP-12.78
    HBond donors6
    HBond acceptors29
    Atoms132
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR587501.