83646 logo
canSAR83646
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[S+]([O-])c1ccc(O)c(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1
    InChI
    InChI=1S/C22H18FN3O2S2/c1-30(28)18-6-7-19(27)16(12-18)13-29-22-25-20(14-2-4-17(23)5-3-14)21(26-22)15-8-10-24-11-9-15/h2-12,27H,13H2,1H3,(H,25,26)
    MOLECULAR FORMULA
    C22H18FN3O2S2
    CROSS REFERENCES
    83646 logo

    canSAR83646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.08
    AlogP 5.01
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    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 canSAR83646.