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canSAR1588046
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NAMES
    SMILES
    Br.COc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C)CC3.O
    InChI
    InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15?,17-,18-;;/m1../s1
    MOLECULAR FORMULA
    C18H28BrNO2
    CROSS REFERENCES
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    canSAR1588046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.13
    AlogP 3.14
    HBond donors 2
    HBond acceptors 3
    Atoms 50
    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 canSAR1588046.