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canSAR1861061
FEATURES
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NAMES
    SMILES
    CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3
    InChI
    InChI=1S/C22H26N2O3S/c1-3-24(16-9-11-17(27-2)12-10-16)28(25,26)18-13-14-22-20(15-18)19-7-5-4-6-8-21(19)23-22/h9-15,23H,3-8H2,1-2H3
    MOLECULAR FORMULA
    C22H26N2O3S
    CROSS REFERENCES
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    canSAR1861061

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.17
    AlogP 4.66
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1861061.