2091817 logo
canSAR2091817
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC(F)(F)F)n2)cc1OC(F)F
    InChI
    InChI=1S/C17H16F5N5O2/c18-16(19)29-12-1-8(5-24-15(12)23)11-3-14(26-13(25-11)4-17(20,21)22)27-6-10-2-9(27)7-28-10/h1,3,5,9-10,16H,2,4,6-7H2,(H2,23,24)/t9-,10-/m0/s1
    MOLECULAR FORMULA
    C17H16F5N5O2
    CROSS REFERENCES
    2091817 logo

    canSAR2091817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.12
    AlogP 2.80
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2091817.