canSAR1089264
FEATURES
Loading...
NAMES
    SMILES
    CCN(CC)C[C@@H]1[C@H]2COC3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc(O)c(CC=C(C)C)c4O)O[C@]123
    InChI
    InChI=1S/C31H39NO6/c1-7-32(8-2)15-21-20-13-22-28(35)26-25(14-24(33)19(27(26)34)10-9-17(3)4)38-31(22)23(21)16-37-30(31,29(20)36)12-11-18(5)6/h9,11,13-14,20-21,23,33-34H,7-8,10,12,15-16H2,1-6H3/t20-,21+,23-,30?,31-/m1/s1
    MOLECULAR FORMULA
    C31H39NO6
    CROSS REFERENCES
    Loading...
    canSAR1089264
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.28
    AlogP4.76
    HBond donors2
    HBond acceptors7
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089264.