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canSAR1638637
FEATURES
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NAMES
    SMILES
    COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1OC
    InChI
    InChI=1S/C19H22BrNO5S/c1-25-17-8-3-14(13-18(17)26-2)9-11-21-19(22)10-12-27(23,24)16-6-4-15(20)5-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,22)
    MOLECULAR FORMULA
    C19H22BrNO5S
    CROSS REFERENCES
    1638637 logo

    canSAR1638637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.04
    AlogP 2.99
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR1638637.