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canSAR1618344
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NAMES
    SMILES
    COc1cccc(OC)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
    InChI
    InChI=1S/C21H18N4O4S/c1-28-17-4-3-5-18(29-2)20(17)21-16-7-6-15(12-14(16)8-11-23-21)30(26,27)25-19-9-10-22-13-24-19/h3-13H,1-2H3,(H,22,24,25)
    MOLECULAR FORMULA
    C21H18N4O4S
    CROSS REFERENCES
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    canSAR1618344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.10
    AlogP 3.51
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    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 canSAR1618344.