786229 logo
canSAR786229
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(-c2cc(CN(C)C)cc3cc(C(O)(c4ccc(C#N)cc4)c4cncn4C)oc23)c1
    InChI
    InChI=1S/C30H28N4O3/c1-33(2)18-21-12-23-15-28(37-29(23)26(13-21)22-6-5-7-25(14-22)36-4)30(35,27-17-32-19-34(27)3)24-10-8-20(16-31)9-11-24/h5-15,17,19,35H,18H2,1-4H3
    MOLECULAR FORMULA
    C30H28N4O3
    CROSS REFERENCES
    786229 logo

    canSAR786229

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.22
    AlogP 5.06
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR786229.