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canSAR1141513
FEATURES
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NAMES
    SMILES
    COc1cccc(S(=O)(=O)Nc2n[nH]c3c2CCN(c2ccc(C)cc2)C3=O)c1
    InChI
    InChI=1S/C20H20N4O4S/c1-13-6-8-14(9-7-13)24-11-10-17-18(20(24)25)21-22-19(17)23-29(26,27)16-5-3-4-15(12-16)28-2/h3-9,12H,10-11H2,1-2H3,(H2,21,22,23)
    MOLECULAR FORMULA
    C20H20N4O4S
    CROSS REFERENCES
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    canSAR1141513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.12
    AlogP 2.73
    HBond donors 2
    HBond acceptors 8
    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 canSAR1141513.