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canSAR1587560
FEATURES
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NAMES
    SMILES
    COC1=C(C(C)C)C(=O)C=C(CC(C)(C)O)C1=O
    InChI
    InChI=1S/C14H20O4/c1-8(2)11-10(15)6-9(7-14(3,4)17)12(16)13(11)18-5/h6,8,17H,7H2,1-5H3
    MOLECULAR FORMULA
    C14H20O4
    CROSS REFERENCES
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    canSAR1587560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 252.14
    AlogP 1.78
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587560.