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canSAR1618980
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NAMES
    SMILES
    Br.c1ccc([C@@H]2CN3CCC[C@H]3c3[nH]c4ccccc4c32)cc1
    InChI
    InChI=1S/C20H20N2.BrH/c1-2-7-14(8-3-1)16-13-22-12-6-11-18(22)20-19(16)15-9-4-5-10-17(15)21-20;/h1-5,7-10,16,18,21H,6,11-13H2;1H/t16-,18-;/m0./s1
    MOLECULAR FORMULA
    C20H21BrN2
    CROSS REFERENCES
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    canSAR1618980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.09
    AlogP 5.03
    HBond donors 1
    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 canSAR1618980.