1976751 logo
canSAR1976751
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COCC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3
    InChI
    InChI=1S/C28H30N2O4/c1-18-13-20(33-3)9-10-21(18)28-22-14-26(19-7-5-4-6-8-19)34-16-24(22)23-15-30(27(31)17-32-2)12-11-25(23)29-28/h4-10,13,26H,11-12,14-17H2,1-3H3/t26-/m1/s1
    MOLECULAR FORMULA
    C28H30N2O4
    CROSS REFERENCES
    1976751 logo

    canSAR1976751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.22
    AlogP 4.41
    HBond donors 0
    HBond acceptors 6
    Atoms 64
    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 canSAR1976751.