1125953 logo
canSAR1125953
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1
    InChI
    InChI=1S/C28H32F6N2O/c1-16(2)26(10-9-21(14-26)36-24-8-7-22-17(3)5-4-6-23(22)24)25(37)35-15-18-11-19(27(29,30)31)13-20(12-18)28(32,33)34/h4-6,11-13,16,21,24,36H,7-10,14-15H2,1-3H3,(H,35,37)/t21-,24?,26+/m1/s1
    MOLECULAR FORMULA
    C28H32F6N2O
    CROSS REFERENCES
    1125953 logo

    canSAR1125953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.24
    AlogP 7.12
    HBond donors 2
    HBond acceptors 3
    Atoms 69
    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 canSAR1125953.