canSAR1603221
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2noc(CCC(=O)NCc3cc(Br)ccc3OC)n2)cc1
    InChI
    InChI=1S/C20H20BrN3O4/c1-26-16-6-3-13(4-7-16)20-23-19(28-24-20)10-9-18(25)22-12-14-11-15(21)5-8-17(14)27-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
    MOLECULAR FORMULA
    C20H20BrN3O4
    CROSS REFERENCES
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    canSAR1603221
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.06
    AlogP3.77
    HBond donors1
    HBond acceptors7
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603221.