canSAR390283
FEATURES
Loading...
NAMES
    SMILES
    COC12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCc4ccc(S(N)(=O)=O)cc4)C3=O)N1C[C@H]1N[C@H]12
    InChI
    InChI=1S/C22H25N5O7S/c1-10-16(25-7-11-3-5-12(6-4-11)35(24,31)32)19(29)15-13(9-34-21(23)30)22(33-2)20-14(26-20)8-27(22)17(15)18(10)28/h3-6,13-14,20,25-26H,7-9H2,1-2H3,(H2,23,30)(H2,24,31,32)/t13-,14+,20+,22?/m0/s1
    MOLECULAR FORMULA
    C22H25N5O7S
    CROSS REFERENCES
    Loading...
    canSAR390283
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight503.15
    AlogP-1.17
    HBond donors6
    HBond acceptors12
    Atoms60
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR390283.