canSAR1023295
FEATURES
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NAMES
    SMILES
    [2H]C([2H])([2H])C(O)(CCC[C@H](C/C=C/C(O)(C(C)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@@]21C)C([2H])([2H])[2H]
    InChI
    InChI=1S/C33H49F5O4/c1-21-24(19-25(39)20-28(21)40)13-12-23-10-7-17-30(4)26(14-15-27(23)30)22(9-6-16-29(2,3)41)11-8-18-32(42,31(5,34)35)33(36,37)38/h8,12-13,18,22,25-28,39-42H,1,6-7,9-11,14-17,19-20H2,2-5H3/b18-8+,23-12+,24-13-/t22-,25-,26-,27+,28+,30-,32?/m1/s1/i2D3,3D3
    MOLECULAR FORMULA
    C33H49F5O4
    CROSS REFERENCES
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    canSAR1023295
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight610.39
    AlogP7.58
    HBond donors4
    HBond acceptors4
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1023295.