1521988 logo
canSAR1521988
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(/C=C/c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1
    InChI
    InChI=1S/C22H17F3N4O2/c1-13-11-29(12-26-13)18-7-3-14(9-19(18)31-2)4-8-20-27-17-10-15(22(23,24)25)5-6-16(17)21(30)28-20/h3-12H,1-2H3,(H,27,28,30)/b8-4+
    MOLECULAR FORMULA
    C22H17F3N4O2
    CROSS REFERENCES
    1521988 logo

    canSAR1521988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.13
    AlogP 4.62
    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 canSAR1521988.