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canSAR644456
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NAMES
    SMILES
    C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C32H26N8O2.C7H8O3S/c1-37-27(21-39-17-5-3-7-29(37)39)25-13-9-23(10-14-25)19-33-35-31(41)32(42)36-34-20-24-11-15-26(16-12-24)28-22-40-18-6-4-8-30(40)38(28)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3;2-5H,1H3,(H,8,9,10)/p+1
    MOLECULAR FORMULA
    C39H35N8O5S+
    CROSS REFERENCES
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    canSAR644456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 727.24
    AlogP 3.67
    HBond donors 2
    HBond acceptors 13
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR644456.