canSAR1808977
FEATURES
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NAMES
    SMILES
    COc1ccc(S[C@@H](CCN2CC[C@H](O)CCC2=O)c2ccccc2)cc1
    InChI
    InChI=1S/C22H27NO3S/c1-26-19-8-10-20(11-9-19)27-21(17-5-3-2-4-6-17)14-16-23-15-13-18(24)7-12-22(23)25/h2-6,8-11,18,21,24H,7,12-16H2,1H3/t18-,21+/m1/s1
    MOLECULAR FORMULA
    C22H27NO3S
    CROSS REFERENCES
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    canSAR1808977
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight385.17
    AlogP4.29
    HBond donors1
    HBond acceptors4
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808977.