2090681 logo
canSAR2090681
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC#N
    InChI
    InChI=1S/C21H23N3O2/c1-15(2)14-19(21(26)23-13-12-22)24-20(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
    MOLECULAR FORMULA
    C21H23N3O2
    CROSS REFERENCES
    2090681 logo

    canSAR2090681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.18
    AlogP 3.14
    HBond donors 2
    HBond acceptors 5
    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 canSAR2090681.