canSAR2096058
FEATURES
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NAMES
    SMILES
    COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3cc(Br)ccn3)C3CC3)c2=O)cc1C
    InChI
    InChI=1S/C22H23BrClN5O3/c1-12-8-16(13(2)26-21(12)31-3)27-20-22(30)29(10-18(24)28-20)17(14-4-5-14)11-32-19-9-15(23)6-7-25-19/h6-10,14,17H,4-5,11H2,1-3H3,(H,27,28)/t17-/m1/s1
    MOLECULAR FORMULA
    C22H23BrClN5O3
    CROSS REFERENCES
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    canSAR2096058
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.07
    AlogP4.85
    HBond donors1
    HBond acceptors8
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096058.