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canSAR1019117
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NAMES
    SMILES
    CC#CCOc1ccc([S+]([O-])[C@H](C(=O)NO)c2ccccc2)cc1
    InChI
    InChI=1S/C18H17NO4S/c1-2-3-13-23-15-9-11-16(12-10-15)24(22)17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20)/t17-,24?/m0/s1
    MOLECULAR FORMULA
    C18H17NO4S
    CROSS REFERENCES
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    canSAR1019117

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.09
    AlogP 2.44
    HBond donors 2
    HBond acceptors 5
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1019117.