114159 logo
canSAR114159
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1cc(F)ccc1Nc1ccc2c(c1)CCc1ncccc1C2=O
    InChI
    InChI=1S/C20H16FN3O/c21-13-4-8-19(17(22)11-13)24-14-5-6-15-12(10-14)3-7-18-16(20(15)25)2-1-9-23-18/h1-2,4-6,8-11,24H,3,7,22H2
    MOLECULAR FORMULA
    C20H16FN3O
    CROSS REFERENCES
    114159 logo

    canSAR114159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.13
    AlogP 3.88
    HBond donors 3
    HBond acceptors 4
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114159.