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canSAR1616687
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(C)(=O)=O)CC2)cc1
    InChI
    InChI=1S/C21H27N3O4S/c1-28-20-10-8-19(9-11-20)22-12-14-23(15-13-22)21(25)17-24(29(2,26)27)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3
    MOLECULAR FORMULA
    C21H27N3O4S
    CROSS REFERENCES
    1616687 logo

    canSAR1616687

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.17
    AlogP 1.81
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    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 canSAR1616687.