canSAR1631753
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(Br)c3)CC2)cc1
    InChI
    InChI=1S/C22H25BrN4O4/c1-31-19-7-5-18(6-8-19)25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)22(30)16-3-2-4-17(23)15-16/h2-8,15H,9-14H2,1H3,(H,24,28)(H,25,29)
    MOLECULAR FORMULA
    C22H25BrN4O4
    CROSS REFERENCES
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    canSAR1631753
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight488.11
    AlogP1.97
    HBond donors2
    HBond acceptors8
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631753.