canSAR537929
FEATURES
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NAMES
    SMILES
    CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(Cc4ccccc4)CCC4(CC3)NCCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1.[Br-]
    InChI
    InChI=1S/C44H52Cl2N3O2.BrH/c1-33(2)51-38-14-8-12-35(28-38)29-42(50)48-24-9-19-43(32-48,37-16-17-40(45)41(46)30-37)20-25-49(31-34-10-4-3-5-11-34)26-21-44(22-27-49)39-15-7-6-13-36(39)18-23-47-44;/h3-8,10-17,28,30,33,47H,9,18-27,29,31-32H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C44H52BrCl2N3O2
    CROSS REFERENCES
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    canSAR537929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight803.26
    AlogP6.13
    HBond donors1
    HBond acceptors5
    Atoms104
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR537929.