985812 logo
canSAR985812
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1
    InChI
    InChI=1S/C22H22N6O3/c1-12-18-19(16(11-23)20(24)31-22(18)27-26-12)15-10-13-9-14(29-2)3-4-17(13)25-21(15)28-5-7-30-8-6-28/h3-4,9-10,19H,5-8,24H2,1-2H3,(H,26,27)
    MOLECULAR FORMULA
    C22H22N6O3
    CROSS REFERENCES
    985812 logo

    canSAR985812

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.18
    AlogP 2.33
    HBond donors 3
    HBond acceptors 9
    Atoms 53
    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 canSAR985812.