canSAR869453
FEATURES
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NAMES
    SMILES
    CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2Br)C1=O
    InChI
    InChI=1S/C22H20BrN3O2/c1-2-25-12-19(27)26-18(22(25)28)11-15-13-7-4-6-10-17(13)24-20(15)21(26)14-8-3-5-9-16(14)23/h3-10,18,21,24H,2,11-12H2,1H3/t18-,21-/m0/s1
    MOLECULAR FORMULA
    C22H20BrN3O2
    CROSS REFERENCES
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    canSAR869453
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.07
    AlogP3.64
    HBond donors1
    HBond acceptors5
    Atoms48
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR869453.