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canSAR1501149
FEATURES
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NAMES
    SMILES
    C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1.[Cl-].[Cl-]
    InChI
    InChI=1S/C36H38N6O6.2ClH/c1-41(2,23-25-9-13-27(14-10-25)39(45)46)21-19-37-31-17-18-32(34-33(31)35(43)29-7-5-6-8-30(29)36(34)44)38-20-22-42(3,4)24-26-11-15-28(16-12-26)40(47)48;;/h5-18H,19-24H2,1-4H3;2*1H
    MOLECULAR FORMULA
    C36H40Cl2N6O6
    CROSS REFERENCES
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    canSAR1501149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 722.24
    AlogP -0.34
    HBond donors 2
    HBond acceptors 12
    Atoms 90
    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 canSAR1501149.