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canSAR559881
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NAMES
    SMILES
    COc1ccccc1CN[C@H]1C2CC[N+](Cc3ccccc3)(CC2)[C@H]1C(c1ccccc1)c1ccccc1.[Br-]
    InChI
    InChI=1S/C35H39N2O.BrH/c1-38-32-20-12-11-19-31(32)25-36-34-30-21-23-37(24-22-30,26-27-13-5-2-6-14-27)35(34)33(28-15-7-3-8-16-28)29-17-9-4-10-18-29;/h2-20,30,33-36H,21-26H2,1H3;1H/q+1;/p-1/t30?,34-,35-,37?;/m0./s1
    MOLECULAR FORMULA
    C35H39BrN2O
    CROSS REFERENCES
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    canSAR559881

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.22
    AlogP 3.80
    HBond donors 1
    HBond acceptors 3
    Atoms 78
    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 canSAR559881.