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canSAR1636860
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NAMES
    SMILES
    Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
    InChI
    InChI=1S/C27H30BrN3O4/c1-19-12-20(15-30-10-3-2-4-23(30)17-32)5-8-25(19)26(33)16-31-11-9-24(13-27(31)34)35-18-22-7-6-21(28)14-29-22/h5-9,11-14,23,32H,2-4,10,15-18H2,1H3/t23-/m1/s1
    MOLECULAR FORMULA
    C27H30BrN3O4
    CROSS REFERENCES
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    canSAR1636860

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.14
    AlogP 4.12
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR1636860.