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canSAR209490
FEATURES
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NAMES
    SMILES
    CC1=C(C)C(=O)C(C(CCCC#CC(=O)O)c2ccccc2)=C(C)C1=O
    InChI
    InChI=1S/C22H22O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8,12H2,1-3H3,(H,23,24)
    MOLECULAR FORMULA
    C22H22O4
    CROSS REFERENCES
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    canSAR209490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.15
    AlogP 3.83
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    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 canSAR209490.