1110717 logo
canSAR1110717
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(CN2CCc3c(sc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)c3C#N)C2)cc1OC
    InChI
    InChI=1S/C28H28Cl2N4O6S2/c1-38-23-4-3-17(11-24(23)39-2)15-33-6-5-18-20(14-31)28(41-25(18)16-33)32-27(35)19-12-26(22(30)13-21(19)29)42(36,37)34-7-9-40-10-8-34/h3-4,11-13H,5-10,15-16H2,1-2H3,(H,32,35)
    MOLECULAR FORMULA
    C28H28Cl2N4O6S2
    CROSS REFERENCES
    1110717 logo

    canSAR1110717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.08
    AlogP 4.78
    HBond donors 1
    HBond acceptors 10
    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 canSAR1110717.