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canSAR781465
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NAMES
    SMILES
    CCCC(=O)OCC#Cc1coc2cc(OC)ccc2c1=O
    InChI
    InChI=1S/C17H16O5/c1-3-5-16(18)21-9-4-6-12-11-22-15-10-13(20-2)7-8-14(15)17(12)19/h7-8,10-11H,3,5,9H2,1-2H3
    MOLECULAR FORMULA
    C17H16O5
    CROSS REFERENCES
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    canSAR781465

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.10
    AlogP 2.50
    HBond donors 0
    HBond acceptors 5
    Atoms 38
    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 canSAR781465.