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canSAR391604
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NAMES
    SMILES
    CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(OS(C)(=O)=O)cc2)c1)C(=O)O
    InChI
    InChI=1S/C21H25NO7S/c1-4-27-20(21(23)24)13-17-6-5-7-18(12-17)15(2)22-28-14-16-8-10-19(11-9-16)29-30(3,25)26/h5-12,20H,4,13-14H2,1-3H3,(H,23,24)/b22-15+/t20-/m0/s1
    MOLECULAR FORMULA
    C21H25NO7S
    CROSS REFERENCES
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    canSAR391604

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.14
    AlogP 3.00
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    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 canSAR391604.