canSAR542539
FEATURES
Loading...
NAMES
    SMILES
    CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/C(O)C[C@@H](O)CC(=O)O
    InChI
    InChI=1S/C27H28FNO4/c1-17(2)27-23(13-12-21(30)14-22(31)15-26(32)33)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30-31H,14-15H2,1-2H3,(H,32,33)/b13-12+/t21?,22-/m1/s1
    MOLECULAR FORMULA
    C27H28FNO4
    CROSS REFERENCES
    Loading...
    canSAR542539
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight449.20
    AlogP5.28
    HBond donors3
    HBond acceptors5
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542539.