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canSAR644754
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NAMES
    SMILES
    C[n+]1c(-c2ccc(C=NNc3n[nH]c(=S)n3NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-]
    InChI
    InChI=1S/C32H28N11S.BrH/c1-39-27(21-41-17-5-3-7-29(39)41)25-13-9-23(10-14-25)19-33-35-31-36-37-32(44)43(31)38-34-20-24-11-15-26(16-12-24)28-22-42-18-6-4-8-30(42)40(28)2;/h3-22,38H,1-2H3,(H-,35,36,37,44);1H/q+1;
    MOLECULAR FORMULA
    C32H29BrN11S+
    CROSS REFERENCES
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    canSAR644754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 678.15
    AlogP 1.46
    HBond donors 3
    HBond acceptors 11
    Atoms 74
    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 canSAR644754.