1984931 logo
canSAR1984931
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1cc(CN2CCC3(CC2)CN(c2cccc(C(=O)O)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1
    InChI
    InChI=1S/C31H33FN2O6/c1-3-38-26-16-21(17-27(39-4-2)28(26)22-8-10-24(32)11-9-22)19-33-14-12-31(13-15-33)20-34(30(37)40-31)25-7-5-6-23(18-25)29(35)36/h5-11,16-18H,3-4,12-15,19-20H2,1-2H3,(H,35,36)
    MOLECULAR FORMULA
    C31H33FN2O6
    CROSS REFERENCES
    1984931 logo

    canSAR1984931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.23
    AlogP 5.98
    HBond donors 1
    HBond acceptors 8
    Atoms 73
    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 canSAR1984931.