canSAR1026036
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#CP(=O)(OCC)OCC)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C28H43O5P/c1-6-32-34(31,33-7-2)17-9-10-20(3)25-14-15-26-22(11-8-16-28(25,26)5)12-13-23-18-24(29)19-27(30)21(23)4/h12-13,20,24-27,29-30H,4,6-8,10-11,14-16,18-19H2,1-3,5H3/b22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1
    MOLECULAR FORMULA
    C28H43O5P
    CROSS REFERENCES
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    canSAR1026036
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight490.28
    AlogP6.38
    HBond donors2
    HBond acceptors5
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1026036.