560855 logo
canSAR560855
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[N+](C)(C)CCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O
    InChI
    InChI=1S/C22H22ClF3N3O4/c1-29(2,3)11-10-19(30)32-18-9-8-17(23)12-15(18)13-28-21(31)33-20(27-28)14-4-6-16(7-5-14)22(24,25)26/h4-9,12H,10-11,13H2,1-3H3/q+1
    MOLECULAR FORMULA
    C22H22ClF3N3O4+
    CROSS REFERENCES
    560855 logo

    canSAR560855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.12
    AlogP 4.23
    HBond donors 0
    HBond acceptors 7
    Atoms 55
    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 canSAR560855.