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canSAR1529889
FEATURES
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NAMES
    SMILES
    CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1
    InChI
    InChI=1S/C21H23N3O4S/c1-4-27-14-10-11-18(28-5-2)17(12-14)22-19(25)13-29-21-23-16-9-7-6-8-15(16)20(26)24(21)3/h6-12H,4-5,13H2,1-3H3,(H,22,25)
    MOLECULAR FORMULA
    C21H23N3O4S
    CROSS REFERENCES
    1529889 logo

    canSAR1529889

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.14
    AlogP 3.46
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1529889.