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canSAR2085597
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NAMES
    SMILES
    CCCCC#CC1=C[C@@H]2C[C@@]3(OC(=O)C=C13)[C@H]1CCCCN21
    InChI
    InChI=1S/C19H23NO2/c1-2-3-4-5-8-14-11-15-13-19(16(14)12-18(21)22-19)17-9-6-7-10-20(15)17/h11-12,15,17H,2-4,6-7,9-10,13H2,1H3/t15-,17-,19+/m1/s1
    MOLECULAR FORMULA
    C19H23NO2
    CROSS REFERENCES
    2085597 logo

    canSAR2085597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 297.17
    AlogP 2.97
    HBond donors 0
    HBond acceptors 3
    Atoms 45
    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 canSAR2085597.