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canSAR199989
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NAMES
    SMILES
    COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1OS(N)(=O)=O
    InChI
    InChI=1S/C17H16N6O4S/c1-26-16-7-4-14(8-17(16)27-28(19,24)25)10-23(22-11-20-21-12-22)15-5-2-13(9-18)3-6-15/h2-8,11-12H,10H2,1H3,(H2,19,24,25)
    MOLECULAR FORMULA
    C17H16N6O4S
    CROSS REFERENCES
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    canSAR199989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.10
    AlogP 1.21
    HBond donors 2
    HBond acceptors 10
    Atoms 44
    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 canSAR199989.