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canSAR660623
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NAMES
    SMILES
    CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCOc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[nH]7)C=C6)C=C5)cc3)c2c1
    InChI
    InChI=1S/C64H54N7O/c1-69(2)48-25-21-46-39-47-22-26-49(70(3)4)41-60(47)71(59(46)40-48)37-14-38-72-50-27-23-45(24-28-50)64-57-35-33-55(67-57)62(43-17-10-6-11-18-43)53-31-29-51(65-53)61(42-15-8-5-9-16-42)52-30-32-54(66-52)63(44-19-12-7-13-20-44)56-34-36-58(64)68-56/h5-13,15-36,39-41,65,68H,14,37-38H2,1-4H3/q+1/b61-51-,61-52-,62-53-,62-55-,63-54-,63-56-,64-57-,64-58-
    MOLECULAR FORMULA
    C64H54N7O+
    CROSS REFERENCES
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    canSAR660623

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 936.44
    AlogP 14.52
    HBond donors 2
    HBond acceptors 8
    Atoms 126
    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 canSAR660623.