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canSAR644862
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NAMES
    SMILES
    Cc1nc(-c2nc(C)c(C(=O)NNC(=O)C[n+]3ccccc3)s2)sc1C(=O)NNC(=O)C[n+]1ccccc1.[Cl-]
    InChI
    InChI=1S/C24H22N8O4S2.ClH/c1-15-19(21(35)29-27-17(33)13-31-9-5-3-6-10-31)37-23(25-15)24-26-16(2)20(38-24)22(36)30-28-18(34)14-32-11-7-4-8-12-32;/h3-12H,13-14H2,1-2H3,(H2-2,25,26,27,28,29,30,33,34,35,36);1H/p+1
    MOLECULAR FORMULA
    C24H24ClN8O4S2+
    CROSS REFERENCES
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    canSAR644862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.10
    AlogP -2.62
    HBond donors 4
    HBond acceptors 12
    Atoms 63
    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 canSAR644862.