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canSAR1502331
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NAMES
    SMILES
    CC(=O)OC[n+]1ccc(-c2c3nc(c(-c4cc[n+](COC(C)=O)cc4)c4ccc([nH]4)c(-c4cc[n+](COC(C)=O)cc4)c4ccc([nH]4)c(-c4cc[n+](COC(C)=O)cc4)c4nc2C=C4)C=C3)cc1.[Cl-].[Cl-].[Cl-].[Cl-]
    InChI
    InChI=1S/C52H45N8O8.4ClH/c1-33(61)65-29-57-21-13-37(14-22-57)49-41-5-7-43(53-41)50(38-15-23-58(24-16-38)30-66-34(2)62)45-9-11-47(55-45)52(40-19-27-60(28-20-40)32-68-36(4)64)48-12-10-46(56-48)51(44-8-6-42(49)54-44)39-17-25-59(26-18-39)31-67-35(3)63;;;;/h5-28H,29-32H2,1-4H3,(H,53,54,55,56);4*1H/q+3;;;;/p-3/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-;;;;
    MOLECULAR FORMULA
    C52H46Cl4N8O8
    CROSS REFERENCES
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    canSAR1502331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1050.22
    AlogP -5.43
    HBond donors 2
    HBond acceptors 16
    Atoms 118
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502331.