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canSAR1998721
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1
    InChI
    InChI=1S/C20H27N3O4S/c1-13(2)14-6-8-15(9-7-14)27-10-18(24)21-19-16-11-28(25,26)12-17(16)22-23(19)20(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,21,24)
    MOLECULAR FORMULA
    C20H27N3O4S
    CROSS REFERENCES
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    canSAR1998721

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.17
    AlogP 3.21
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR1998721.