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canSAR46248
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NAMES
    SMILES
    O=C(CCc1ccc(-c2ccccc2)cc1)NC1=C(C(=O)O)CCC1
    InChI
    InChI=1S/C21H21NO3/c23-20(22-19-8-4-7-18(19)21(24)25)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14H2,(H,22,23)(H,24,25)
    MOLECULAR FORMULA
    C21H21NO3
    CROSS REFERENCES
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    canSAR46248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 335.15
    AlogP 3.92
    HBond donors 2
    HBond acceptors 4
    Atoms 46
    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 canSAR46248.