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canSAR789098
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NAMES
    SMILES
    C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(Br)cc2)CC(=O)O1
    InChI
    InChI=1S/C22H29BrO4S/c1-14-5-3-2-4-6-15-11-17(24)12-19(15)22(26)20(13-21(25)27-14)28-18-9-7-16(23)8-10-18/h4,6-10,14-15,17,19-20,22,24,26H,2-3,5,11-13H2,1H3/b6-4+/t14-,15+,17-,19+,20+,22-/m0/s1
    MOLECULAR FORMULA
    C22H29BrO4S
    CROSS REFERENCES
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    canSAR789098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.10
    AlogP 4.72
    HBond donors 2
    HBond acceptors 4
    Atoms 57
    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 canSAR789098.