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canSAR1961415
FEATURES
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NAMES
    SMILES
    CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
    InChI
    InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
    MOLECULAR FORMULA
    C23H22O4
    CROSS REFERENCES
    1961415 logo

    canSAR1961415

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.15
    AlogP 4.12
    HBond donors 0
    HBond acceptors 4
    Atoms 49
    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 canSAR1961415.