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canSAR1061586
FEATURES
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NAMES
    SMILES
    C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCC3CCOCC3)cc2)CC1
    InChI
    InChI=1S/C22H31N3O5S/c1-2-21(26)24-19-8-13-25(14-9-19)31(28,29)20-5-3-18(4-6-20)22(27)23-12-7-17-10-15-30-16-11-17/h2-6,17,19H,1,7-16H2,(H,23,27)(H,24,26)
    MOLECULAR FORMULA
    C22H31N3O5S
    CROSS REFERENCES
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    canSAR1061586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.20
    AlogP 1.69
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061586.