1064972 logo
canSAR1064972
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NC(=O)OC(CCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1
    InChI
    InChI=1S/C21H23ClF3N3O2/c22-18-7-6-16(14-17(18)21(23,24)25)28-12-10-27(11-13-28)9-8-19(30-20(26)29)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2,(H2,26,29)
    MOLECULAR FORMULA
    C21H23ClF3N3O2
    CROSS REFERENCES
    1064972 logo

    canSAR1064972

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.14
    AlogP 4.71
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    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 canSAR1064972.