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canSAR660398
FEATURES
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NAMES
    SMILES
    Cc1csc(-c2nc(COc3c4cc(S(=O)(=O)[O-])cc3Cc3cc(S(=O)(=O)[O-])cc(c3O)Cc3cc(S(=O)(=O)[O-])cc(c3Oc3csc(-c5nc(C)cs5)n3)Cc3cc(S(=O)(=O)[O-])cc(c3O)C4)cs2)n1.[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C43H34N4O16S8.4Na/c1-20-16-64-40(44-20)42-46-30(18-66-42)15-62-38-26-3-22-7-31(68(50,51)52)9-24(36(22)48)5-28-13-34(71(59,60)61)14-29(39(28)63-35-19-67-43(47-35)41-45-21(2)17-65-41)6-25-10-32(69(53,54)55)8-23(37(25)49)4-27(38)12-33(11-26)70(56,57)58;;;;/h7-14,16-19,48-49H,3-6,15H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4
    MOLECULAR FORMULA
    C43H30N4Na4O16S8
    CROSS REFERENCES
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    canSAR660398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1205.90
    AlogP -5.45
    HBond donors 2
    HBond acceptors 20
    Atoms 105
    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 canSAR660398.