398257 logo
canSAR398257
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C(=O)OC(C)(C)C)[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
    InChI
    InChI=1S/C21H26N2O7S/c1-21(2,3)30-20(25)23(4)18(19(24)22-26)14-31(27,28)17-12-10-16(11-13-17)29-15-8-6-5-7-9-15/h5-13,18,26H,14H2,1-4H3,(H,22,24)/t18-/m1/s1
    MOLECULAR FORMULA
    C21H26N2O7S
    CROSS REFERENCES
    398257 logo

    canSAR398257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.15
    AlogP 2.99
    HBond donors 2
    HBond acceptors 9
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR398257.