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canSAR1132382
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3cccc(C(F)(F)F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C25H31F3O6/c1-14-7-8-19-15(2)20(31-22-24(19)18(14)9-11-23(3,32-22)33-34-24)10-12-30-21(29)16-5-4-6-17(13-16)25(26,27)28/h4-6,13-15,18-20,22H,7-12H2,1-3H3/t14-,15-,18+,19+,20-,22-,23+,24-/m1/s1
    MOLECULAR FORMULA
    C25H31F3O6
    CROSS REFERENCES
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    canSAR1132382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.21
    AlogP 5.50
    HBond donors 0
    HBond acceptors 6
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132382.