canSAR63281
FEATURES
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NAMES
    SMILES
    CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1
    InChI
    InChI=1S/C19H25BrN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)
    MOLECULAR FORMULA
    C19H25BrN6O
    CROSS REFERENCES
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    canSAR63281
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight432.13
    AlogP3.96
    HBond donors3
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR63281.