canSAR1417547
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)C(=O)C1CCCCC1
    InChI
    InChI=1S/C22H33BrN2O5S/c1-15-12-25(16(2)14-26)31(28,29)21-10-9-18(23)11-19(21)30-20(15)13-24(3)22(27)17-7-5-4-6-8-17/h9-11,15-17,20,26H,4-8,12-14H2,1-3H3/t15-,16-,20+/m1/s1
    MOLECULAR FORMULA
    C22H33BrN2O5S
    CROSS REFERENCES
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    canSAR1417547
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight516.13
    AlogP3.26
    HBond donors1
    HBond acceptors7
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417547.