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canSAR196804
FEATURES
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NAMES
    SMILES
    CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(OC)cccc1C2=O
    InChI
    InChI=1S/C19H18O6/c1-3-5-11-15-16(19-12(24-11)8-13(20)25-19)17(21)9-6-4-7-10(23-2)14(9)18(15)22/h4,6-7,11-12,19H,3,5,8H2,1-2H3/t11-,12-,19+/m1/s1
    MOLECULAR FORMULA
    C19H18O6
    CROSS REFERENCES
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    canSAR196804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.11
    AlogP 2.25
    HBond donors 0
    HBond acceptors 6
    Atoms 43
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR196804.