1066972 logo
canSAR1066972
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)N1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1ccccc1
    InChI
    InChI=1S/C21H18F3N3O3/c1-13(2)27-19(30)26(16-9-8-14(11-25)17(10-16)21(22,23)24)18(29)20(27,12-28)15-6-4-3-5-7-15/h3-10,13,28H,12H2,1-2H3
    MOLECULAR FORMULA
    C21H18F3N3O3
    CROSS REFERENCES
    1066972 logo

    canSAR1066972

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.13
    AlogP 3.64
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR1066972.