1589880 logo
canSAR1589880
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC(=O)N1CCOCC1
    InChI
    InChI=1S/C22H21N3O7/c1-12-9-17-19(21(26)30-12)18(14(11-23)20(24)31-17)13-3-4-15(16(10-13)28-2)32-22(27)25-5-7-29-8-6-25/h3-4,9-10,18H,5-8,24H2,1-2H3
    MOLECULAR FORMULA
    C22H21N3O7
    CROSS REFERENCES
    1589880 logo

    canSAR1589880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.14
    AlogP 2.01
    HBond donors 2
    HBond acceptors 10
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589880.