canSAR210082
FEATURES
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NAMES
    SMILES
    CN(CCO)C(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1
    InChI
    InChI=1S/C20H27BrN2O4S/c1-23(8-9-24)20(26)7-4-10-27-18-6-3-2-5-15(18)12-22-13-17(25)19-11-16(21)14-28-19/h2-3,5-6,11,14,17,22,24-25H,4,7-10,12-13H2,1H3
    MOLECULAR FORMULA
    C20H27BrN2O4S
    CROSS REFERENCES
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    canSAR210082
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight470.09
    AlogP2.94
    HBond donors3
    HBond acceptors6
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR210082.