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canSAR467964
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NAMES
    SMILES
    O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc32)CC1
    InChI
    InChI=1S/C26H24Br2ClN3O2/c27-19-14-18-1-2-21-20(3-4-22(29)25(21)28)24(26(18)30-15-19)17-7-9-31(10-8-17)23(33)13-16-5-11-32(34)12-6-16/h3-6,11-12,14-15,17,24H,1-2,7-10,13H2/t24-/m0/s1
    MOLECULAR FORMULA
    C26H24Br2ClN3O2
    CROSS REFERENCES
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    canSAR467964

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 602.99
    AlogP 5.61
    HBond donors 0
    HBond acceptors 5
    Atoms 58
    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 canSAR467964.