1129037 logo
canSAR1129037
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C(F)(F)F)ccc3C)c2)cc1
    InChI
    InChI=1S/C25H25F3N2O5S/c1-16-5-8-19(25(26,27)28)13-18(16)15-35-23-14-20(9-12-22(23)30(2)36(4,32)33)29-24(31)17-6-10-21(34-3)11-7-17/h5-14H,15H2,1-4H3,(H,29,31)
    MOLECULAR FORMULA
    C25H25F3N2O5S
    CROSS REFERENCES
    1129037 logo

    canSAR1129037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.14
    AlogP 5.25
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    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 canSAR1129037.