canSAR2062639
FEATURES
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NAMES
    SMILES
    Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CCC2(C)c3ccccc3N(Cc3ccccc3)C12.[Br-]
    InChI
    InChI=1S/C36H36BrN4O.BrH/c1-25-19-32-33(20-26(25)2)39(24-38(32)21-28-13-15-29(37)16-14-28)23-34(42)40-18-17-36(3)30-11-7-8-12-31(30)41(35(36)40)22-27-9-5-4-6-10-27;/h4-16,19-20,24,35H,17-18,21-23H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C36H36Br2N4O
    CROSS REFERENCES
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    canSAR2062639
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight698.13
    AlogP3.90
    HBond donors0
    HBond acceptors5
    Atoms79
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062639.