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canSAR1688064
FEATURES
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NAMES
    SMILES
    COc1ccccc1S(=O)(=O)N(C)C[C@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@H]1C
    InChI
    InChI=1S/C22H28BrN3O6S/c1-14-11-26(15(2)13-27)22(28)17-9-16(23)10-24-21(17)32-19(14)12-25(3)33(29,30)20-8-6-5-7-18(20)31-4/h5-10,14-15,19,27H,11-13H2,1-4H3/t14-,15-,19-/m1/s1
    MOLECULAR FORMULA
    C22H28BrN3O6S
    CROSS REFERENCES
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    canSAR1688064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.09
    AlogP 2.39
    HBond donors 1
    HBond acceptors 9
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688064.