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canSAR643582
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)[n+]([O-])c(C(=O)C/C(=N/NC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-]
    InChI
    InChI=1S/C27H32N6O6/c1-16-9-8-10-20(17(16)2)28-27(36)21(29-30-25(35)15-33(4,5)6)14-24(34)26-18(3)31(37)22-12-11-19(39-7)13-23(22)32(26)38/h8-13H,14-15H2,1-7H3,(H-,28,30,35,36)/p+1
    MOLECULAR FORMULA
    C27H33N6O6+
    CROSS REFERENCES
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    canSAR643582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.25
    AlogP 1.43
    HBond donors 2
    HBond acceptors 12
    Atoms 72
    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 canSAR643582.