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canSAR396735
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NAMES
    SMILES
    N[C@@H](CS)CNc1ccc(-c2ccccc2C(=O)O)cc1
    InChI
    InChI=1S/C16H18N2O2S/c17-12(10-21)9-18-13-7-5-11(6-8-13)14-3-1-2-4-15(14)16(19)20/h1-8,12,18,21H,9-10,17H2,(H,19,20)/t12-/m1/s1
    MOLECULAR FORMULA
    C16H18N2O2S
    CROSS REFERENCES
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    canSAR396735

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 302.11
    AlogP 2.72
    HBond donors 4
    HBond acceptors 4
    Atoms 39
    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 canSAR396735.