canSAR2189783
FEATURES
Loading...
NAMES
    SMILES
    C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ncccn4)cc3F)c3c(N)ncnc32)C1
    InChI
    InChI=1S/C22H19FN8O2/c1-2-17(32)30-9-6-13(11-30)31-21-18(20(24)27-12-28-21)19(29-31)15-5-4-14(10-16(15)23)33-22-25-7-3-8-26-22/h2-5,7-8,10,12-13H,1,6,9,11H2,(H2,24,27,28)/t13-/m1/s1
    MOLECULAR FORMULA
    C22H19FN8O2
    CROSS REFERENCES
    Loading...
    canSAR2189783
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight446.16
    AlogP2.76
    HBond donors2
    HBond acceptors10
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2189783.