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canSAR9157
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NAMES
    SMILES
    CC(c1ccccc1)c1cccc([C@@H](C)C(=O)NS(C)(=O)=O)c1
    InChI
    InChI=1S/C18H21NO3S/c1-13(15-8-5-4-6-9-15)16-10-7-11-17(12-16)14(2)18(20)19-23(3,21)22/h4-14H,1-3H3,(H,19,20)/t13?,14-/m1/s1
    MOLECULAR FORMULA
    C18H21NO3S
    CROSS REFERENCES
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    canSAR9157

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.12
    AlogP 3.02
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    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 canSAR9157.