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canSAR783290
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NAMES
    SMILES
    CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](OC)C1)[C@@H]32
    InChI
    InChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m0/s1
    MOLECULAR FORMULA
    C20H26N2O
    CROSS REFERENCES
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    canSAR783290

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 310.20
    AlogP 4.28
    HBond donors 0
    HBond acceptors 3
    Atoms 49
    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 canSAR783290.