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canSAR844746
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NAMES
    SMILES
    C[C@H]1C[C@H]2C3Cc4ccc(O)cc4C2(CCN3CC2CC2)CC1=O
    InChI
    InChI=1S/C21H27NO2/c1-13-8-18-19-9-15-4-5-16(23)10-17(15)21(18,11-20(13)24)6-7-22(19)12-14-2-3-14/h4-5,10,13-14,18-19,23H,2-3,6-9,11-12H2,1H3/t13-,18-,19?,21?/m0/s1
    MOLECULAR FORMULA
    C21H27NO2
    CROSS REFERENCES
    844746 logo

    canSAR844746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.20
    AlogP 3.29
    HBond donors 1
    HBond acceptors 3
    Atoms 51
    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 canSAR844746.