1587705 logo
canSAR1587705
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(NC(=O)/C(=C/c2ccc(OC(C)=O)c(OC)c2)NC(C)=O)cc1
    InChI
    InChI=1S/C21H22N2O6/c1-13(24)22-18(21(26)23-16-6-8-17(27-3)9-7-16)11-15-5-10-19(29-14(2)25)20(12-15)28-4/h5-12H,1-4H3,(H,22,24)(H,23,26)/b18-11-
    MOLECULAR FORMULA
    C21H22N2O6
    CROSS REFERENCES
    1587705 logo

    canSAR1587705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.15
    AlogP 2.74
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587705.