1616593 logo
canSAR1616593
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1
    InChI
    InChI=1S/C28H32F3NO4/c29-28(30,31)24-12-10-22(11-13-24)23-16-25(27(34)32-14-4-2-1-3-5-15-32)36-26(17-23)35-19-21-8-6-20(18-33)7-9-21/h6-13,16,23,26,33H,1-5,14-15,17-19H2/t23-,26+/m0/s1
    MOLECULAR FORMULA
    C28H32F3NO4
    CROSS REFERENCES
    1616593 logo

    canSAR1616593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.23
    AlogP 5.92
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    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 canSAR1616593.