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canSAR788869
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NAMES
    SMILES
    C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OCC)O[C@@H](c3ccccc3Br)[C@H]12
    InChI
    InChI=1S/C21H25BrO4/c1-5-25-20(23)19-21(24)13(4)10-11-14(12(2)3)17(21)18(26-19)15-8-6-7-9-16(15)22/h6-10,14,17-19,24H,2,5,11H2,1,3-4H3/t14-,17+,18+,19-,21-/m1/s1
    MOLECULAR FORMULA
    C21H25BrO4
    CROSS REFERENCES
    788869 logo

    canSAR788869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.09
    AlogP 4.34
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    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 canSAR788869.