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canSAR1766413
FEATURES
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NAMES
    SMILES
    COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1
    InChI
    InChI=1S/C27H26BrNO4/c1-31-21-9-4-8-18(15-21)26-25(16-19-14-20(28)12-13-24(19)32-26)33-27(30)29-23-11-5-7-17-6-2-3-10-22(17)23/h2-4,6,8-10,12-15,23,25-26H,5,7,11,16H2,1H3,(H,29,30)/t23-,25+,26-/m0/s1
    MOLECULAR FORMULA
    C27H26BrNO4
    CROSS REFERENCES
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    canSAR1766413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.10
    AlogP 6.31
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    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 canSAR1766413.