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canSAR1015192
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NAMES
    SMILES
    CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccc(Br)cc5c4c3)CC2)c2ccccc21
    InChI
    InChI=1S/C28H28BrN3O/c1-18(33)30-27-16-28(24-5-3-2-4-21(24)27)10-12-32(13-11-28)17-19-6-8-25-22(14-19)23-15-20(29)7-9-26(23)31-25/h2-9,14-15,27,31H,10-13,16-17H2,1H3,(H,30,33)/t27-/m1/s1
    MOLECULAR FORMULA
    C28H28BrN3O
    CROSS REFERENCES
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    canSAR1015192

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.14
    AlogP 6.20
    HBond donors 2
    HBond acceptors 4
    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 canSAR1015192.