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canSAR1687886
FEATURES
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NAMES
    SMILES
    COc1ccccc1CCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
    InChI
    InChI=1S/C18H20N2O6S/c1-25-16-5-3-2-4-13(16)6-11-18(22)26-12-17(21)20-14-7-9-15(10-8-14)27(19,23)24/h2-5,7-10H,6,11-12H2,1H3,(H,20,21)(H2,19,23,24)
    MOLECULAR FORMULA
    C18H20N2O6S
    CROSS REFERENCES
    1687886 logo

    canSAR1687886

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.10
    AlogP 1.46
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1687886.