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canSAR1013001
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(F)cc1
    InChI
    InChI=1S/C28H35FO3/c1-26-13-12-22-20(15-25-28(32-25)16-19(30)11-14-27(22,28)2)21(26)8-9-23(26)24(31)10-5-17-3-6-18(29)7-4-17/h3-7,10,19-23,25,30H,8-9,11-16H2,1-2H3/b10-5+/t19-,20-,21-,22-,23+,25-,26-,27+,28-/m0/s1
    MOLECULAR FORMULA
    C28H35FO3
    CROSS REFERENCES
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    canSAR1013001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.26
    AlogP 5.56
    HBond donors 1
    HBond acceptors 3
    Atoms 67
    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 canSAR1013001.