913698 logo
canSAR913698
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN([C@@H]1CCc2c(CC(=O)O)c3ccc(S(C)(=O)=O)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
    InChI
    InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
    MOLECULAR FORMULA
    C22H23FN2O6S2
    CROSS REFERENCES
    913698 logo

    canSAR913698

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.10
    AlogP 2.45
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR913698.