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canSAR747268
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NAMES
    SMILES
    C[N+](C)(C)Cc1cc(-c2c3nc(c(-c4ccc(O)c(C[N+](C)(C)C)c4)c4ccc([nH]4)c(-c4ccc(O)c(C[N+](C)(C)C)c4)c4nc(c(-c5ccc(O)c(C[N+](C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)ccc1O.[Cl-].[Cl-].[Cl-].[Cl-]
    InChI
    InChI=1S/C60H66N8O4.4ClH/c1-65(2,3)33-41-29-37(13-25-53(41)69)57-45-17-19-47(61-45)58(38-14-26-54(70)42(30-38)34-66(4,5)6)49-21-23-51(63-49)60(40-16-28-56(72)44(32-40)36-68(10,11)12)52-24-22-50(64-52)59(48-20-18-46(57)62-48)39-15-27-55(71)43(31-39)35-67(7,8)9;;;;/h13-32H,33-36H2,1-12H3,(H2-4,61,62,63,64,69,70,71,72);4*1H/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-;;;;
    MOLECULAR FORMULA
    C60H70Cl4N8O4
    CROSS REFERENCES
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    canSAR747268

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1106.43
    AlogP -1.01
    HBond donors 6
    HBond acceptors 12
    Atoms 146
    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 canSAR747268.