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canSAR747776
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NAMES
    SMILES
    COc1cc2nc(Nc3ccc(O)c(C[N+](C)(C)C)c3)nc(Nc3ccc(O)c(C[N+](C)(C)C)c3)c2cc1OC
    InChI
    InChI=1S/C30H38N6O4/c1-35(2,3)17-19-13-21(9-11-25(19)37)31-29-23-15-27(39-7)28(40-8)16-24(23)33-30(34-29)32-22-10-12-26(38)20(14-22)18-36(4,5)6/h9-16H,17-18H2,1-8H3,(H2-2,31,32,33,34,37,38)/p+2
    MOLECULAR FORMULA
    C30H40N6O4+2
    CROSS REFERENCES
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    canSAR747776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.31
    AlogP 4.96
    HBond donors 4
    HBond acceptors 10
    Atoms 80
    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 canSAR747776.