35319 logo
canSAR35319
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1CN(C(=O)Nc2ccncc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1
    InChI
    InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-16-5-7-25-8-6-16)14(2)11-27(13)17-4-3-15(10-24)18(9-17)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1
    MOLECULAR FORMULA
    C20H20F3N5O
    CROSS REFERENCES
    35319 logo

    canSAR35319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.16
    AlogP 4.10
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR35319.