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canSAR548398
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NAMES
    SMILES
    C[C@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
    InChI
    InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m0/s1
    MOLECULAR FORMULA
    C20H21BrN2
    CROSS REFERENCES
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    canSAR548398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.09
    AlogP 5.66
    HBond donors 2
    HBond acceptors 2
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR548398.