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canSAR565409
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NAMES
    SMILES
    COc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1.[Cl-]
    InChI
    InChI=1S/C23H20N3OS.ClH/c1-27-21-15-12-18(13-16-21)14-17-22-26(20-10-6-3-7-11-20)25-23(28-22)24-19-8-4-2-5-9-19;/h2-17H,1H3,(H,24,25);1H/q+1;/p-1/b17-14+;
    MOLECULAR FORMULA
    C23H20ClN3OS
    CROSS REFERENCES
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    canSAR565409

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.10
    AlogP 2.35
    HBond donors 1
    HBond acceptors 4
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR565409.