1022788 logo
canSAR1022788
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
    InChI
    InChI=1S/C20H22N2O8/c23-10-16-17(24)18(25)19(26)20(30-16)29-14-4-1-12(2-5-14)21-8-7-11-9-13(22(27)28)3-6-15(11)21/h1-6,9,16-20,23-26H,7-8,10H2/t16-,17-,18+,19+,20+/m1/s1
    MOLECULAR FORMULA
    C20H22N2O8
    CROSS REFERENCES
    1022788 logo

    canSAR1022788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.14
    AlogP 0.47
    HBond donors 4
    HBond acceptors 10
    Atoms 52
    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 canSAR1022788.