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canSAR1405091
FEATURES
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NAMES
    SMILES
    CC(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1
    InChI
    InChI=1S/C20H23N3O5S/c1-16(17-5-3-2-4-6-17)15-20(24)21-11-13-22(14-12-21)29(27,28)19-9-7-18(8-10-19)23(25)26/h2-10,16H,11-15H2,1H3
    MOLECULAR FORMULA
    C20H23N3O5S
    CROSS REFERENCES
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    canSAR1405091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.14
    AlogP 2.62
    HBond donors 0
    HBond acceptors 8
    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 canSAR1405091.