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canSAR2049862
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)c2ccc(OCC(=O)Nc3ccccc3NC(=O)COc3ccc(C(=O)c4ccc(Br)cc4)cc3C)c(C)c2)cc1
    InChI
    InChI=1S/C39H33BrN2O6/c1-24-8-10-27(11-9-24)38(45)29-14-18-34(25(2)20-29)47-22-36(43)41-32-6-4-5-7-33(32)42-37(44)23-48-35-19-15-30(21-26(35)3)39(46)28-12-16-31(40)17-13-28/h4-21H,22-23H2,1-3H3,(H,41,43)(H,42,44)
    MOLECULAR FORMULA
    C39H33BrN2O6
    CROSS REFERENCES
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    canSAR2049862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 704.15
    AlogP 7.87
    HBond donors 2
    HBond acceptors 8
    Atoms 81
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2049862.