canSAR1932754
FEATURES
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NAMES
    SMILES
    CCS(=O)(=O)N1CCN(Cc2ccccc2OC)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C14H22N2O3S.C2H2O4/c1-3-20(17,18)16-10-8-15(9-11-16)12-13-6-4-5-7-14(13)19-2;3-1(4)2(5)6/h4-7H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C16H24N2O7S
    CROSS REFERENCES
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    canSAR1932754
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight388.13
    AlogP0.32
    HBond donors2
    HBond acceptors9
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932754.