canSAR426241
FEATURES
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NAMES
    SMILES
    O=C1Nc2c(Cl)ccc(OCCCS(=O)(=O)O)c2C2(CCCCC2)N1
    InChI
    InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
    MOLECULAR FORMULA
    C16H21ClN2O5S
    CROSS REFERENCES
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    canSAR426241
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight388.09
    AlogP3.29
    HBond donors3
    HBond acceptors7
    Atoms46
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR426241.