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canSAR643250
FEATURES
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NAMES
    SMILES
    C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc([N+](=O)[O-])cc45)cc3[N+](=O)[O-])cc2)cc1.[Cl-]
    InChI
    InChI=1S/C29H23N7O5.ClH/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27;/h3-18H,1-2H3,(H,32,37);1H/p+1
    MOLECULAR FORMULA
    C29H25ClN7O5+
    CROSS REFERENCES
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    canSAR643250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.16
    AlogP 2.05
    HBond donors 3
    HBond acceptors 12
    Atoms 67
    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 canSAR643250.