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canSAR500404
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NAMES
    SMILES
    CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(S(C)(=O)=O)cc1
    InChI
    InChI=1S/C18H17NO5S/c1-18(2)15(12-7-9-13(10-8-12)25(3,21)22)16(17(20)24-18)23-14-6-4-5-11-19-14/h4-11H,1-3H3
    MOLECULAR FORMULA
    C18H17NO5S
    CROSS REFERENCES
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    canSAR500404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.08
    AlogP 2.61
    HBond donors 0
    HBond acceptors 6
    Atoms 42
    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 canSAR500404.