838885 logo
canSAR838885
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(C)N1C[C@@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)CC1=O
    InChI
    InChI=1S/C23H26ClN3O/c1-4-17(3)26-15-21(12-23(26)28)27(14-19-8-6-5-7-16(19)2)20-10-9-18(13-25)22(24)11-20/h5-11,17,21H,4,12,14-15H2,1-3H3/t17?,21-/m0/s1
    MOLECULAR FORMULA
    C23H26ClN3O
    CROSS REFERENCES
    838885 logo

    canSAR838885

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.18
    AlogP 4.93
    HBond donors 0
    HBond acceptors 4
    Atoms 54
    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 canSAR838885.