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canSAR1430248
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NAMES
    SMILES
    COc1ccccc1N1C[C@@H]2C[C@@H](c3ccco3)N3CCC[C@@]23C1=O
    InChI
    InChI=1S/C20H22N2O3/c1-24-17-7-3-2-6-15(17)21-13-14-12-16(18-8-4-11-25-18)22-10-5-9-20(14,22)19(21)23/h2-4,6-8,11,14,16H,5,9-10,12-13H2,1H3/t14-,16-,20-/m0/s1
    MOLECULAR FORMULA
    C20H22N2O3
    CROSS REFERENCES
    1430248 logo

    canSAR1430248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.16
    AlogP 3.23
    HBond donors 0
    HBond acceptors 5
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430248.