64940 logo
canSAR64940
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F
    InChI
    InChI=1S/C20H16ClF5N4O4/c1-8(28-18(32)19(2,33)20(24,25)26)16-13(23)3-9(6-27-16)11-4-10(21)5-12(22)15(11)17-29-14(7-31)34-30-17/h3-6,8,31,33H,7H2,1-2H3,(H,28,32)/t8-,19-/m1/s1
    MOLECULAR FORMULA
    C20H16ClF5N4O4
    CROSS REFERENCES
    64940 logo

    canSAR64940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.08
    AlogP 3.71
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR64940.