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canSAR1591937
FEATURES
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NAMES
    SMILES
    CC(=O)O.O=S(=O)(CCc1ccncc1)C1Cc2cccc3cccc1c23
    InChI
    InChI=1S/C19H17NO2S.C2H4O2/c21-23(22,12-9-14-7-10-20-11-8-14)18-13-16-5-1-3-15-4-2-6-17(18)19(15)16;1-2(3)4/h1-8,10-11,18H,9,12-13H2;1H3,(H,3,4)
    MOLECULAR FORMULA
    C21H21NO4S
    CROSS REFERENCES
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    canSAR1591937

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.12
    AlogP 3.58
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591937.