786983 logo
canSAR786983
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C(=C\c1cc(F)c(OCCCF)cc1F)C(=O)N[C@@H]1[C@H](O)C[C@H]2OCO[C@H]2[C@@H]1O
    InChI
    InChI=1S/C20H24F3NO6/c1-10(5-11-6-13(23)15(7-12(11)22)28-4-2-3-21)20(27)24-17-14(25)8-16-19(18(17)26)30-9-29-16/h5-7,14,16-19,25-26H,2-4,8-9H2,1H3,(H,24,27)/b10-5+/t14-,16-,17-,18-,19-/m1/s1
    MOLECULAR FORMULA
    C20H24F3NO6
    CROSS REFERENCES
    786983 logo

    canSAR786983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.16
    AlogP 1.46
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR786983.