163264 logo
canSAR163264
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)cc1
    InChI
    InChI=1S/C29H32N2O6S/c1-35-24-11-13-26(14-12-24)38(33,34)30-22-6-5-7-23(18-22)31-19-21(17-29(31)32)20-10-15-27(36-2)28(16-20)37-25-8-3-4-9-25/h5-7,10-16,18,21,25,30H,3-4,8-9,17,19H2,1-2H3/t21-/m0/s1
    MOLECULAR FORMULA
    C29H32N2O6S
    CROSS REFERENCES
    163264 logo

    canSAR163264

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.20
    AlogP 5.35
    HBond donors 1
    HBond acceptors 8
    Atoms 70
    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 canSAR163264.