canSAR1387289
FEATURES
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NAMES
    SMILES
    Br.Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21
    InChI
    InChI=1S/C16H17NO2S.BrH/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12;/h4-6,12,16-19H,2-3,7H2,1H3;1H/t12-,16+;/m1./s1
    MOLECULAR FORMULA
    C16H18BrNO2S
    CROSS REFERENCES
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    canSAR1387289
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight367.02
    AlogP3.60
    HBond donors3
    HBond acceptors3
    Atoms39
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387289.