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canSAR1723761
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NAMES
    SMILES
    C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CCC[C@@H](O)C2)OC1=O
    InChI
    InChI=1S/C17H22BrNO3/c1-12(13-4-6-14(18)7-5-13)19-10-9-17(22-16(19)21)8-2-3-15(20)11-17/h4-7,12,15,20H,2-3,8-11H2,1H3/t12-,15+,17+/m0/s1
    MOLECULAR FORMULA
    C17H22BrNO3
    CROSS REFERENCES
    1723761 logo

    canSAR1723761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.08
    AlogP 4.03
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    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 canSAR1723761.