848014 logo
canSAR848014
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC(=O)Cc3ccccc3)[C@H]2S(=O)(=O)C1
    InChI
    InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
    MOLECULAR FORMULA
    C22H25NO9S
    CROSS REFERENCES
    848014 logo

    canSAR848014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.13
    AlogP 0.90
    HBond donors 0
    HBond acceptors 10
    Atoms 58
    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 canSAR848014.