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canSAR2088907
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NAMES
    SMILES
    Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1
    InChI
    InChI=1S/C22H21NO4S/c1-13-3-5-15(6-4-13)22-23-14(2)20(28-22)12-26-17-7-8-18-16(9-21(24)25)11-27-19(18)10-17/h3-8,10,16H,9,11-12H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C22H21NO4S
    CROSS REFERENCES
    2088907 logo

    canSAR2088907

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.12
    AlogP 4.96
    HBond donors 1
    HBond acceptors 5
    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 canSAR2088907.