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canSAR1834696
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NAMES
    SMILES
    CCCN1Cc2ccccc2[C@H]2c3cc(O)c(O)cc3CC[C@@H]21
    InChI
    InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m0/s1
    MOLECULAR FORMULA
    C20H23NO2
    CROSS REFERENCES
    1834696 logo

    canSAR1834696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 309.17
    AlogP 3.77
    HBond donors 2
    HBond acceptors 3
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834696.