1116340 logo
canSAR1116340
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)Cc2ccccc2Cl)cc1
    InChI
    InChI=1S/C36H37ClN2O6S/c1-25-11-18-31(19-12-25)46(44,45)38(23-29-9-5-6-10-33(29)37)24-35(41)39(30-17-20-32(36(42)43)34(40)21-30)22-26-13-15-28(16-14-26)27-7-3-2-4-8-27/h5-6,9-21,27,40H,2-4,7-8,22-24H2,1H3,(H,42,43)
    MOLECULAR FORMULA
    C36H37ClN2O6S
    CROSS REFERENCES
    1116340 logo

    canSAR1116340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.21
    AlogP 7.52
    HBond donors 2
    HBond acceptors 8
    Atoms 83
    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 canSAR1116340.