canSAR1809976
FEATURES
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NAMES
    SMILES
    CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O
    InChI
    InChI=1S/C21H29N3O3/c1-4-27-21(26)23(3)18-11-19-20-15(14-7-5-6-8-17(14)22-20)9-10-24(19)12-16(18)13(2)25/h5-8,13,16,18-19,22,25H,4,9-12H2,1-3H3/t13-,16-,18-,19-/m0/s1
    MOLECULAR FORMULA
    C21H29N3O3
    CROSS REFERENCES
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    canSAR1809976
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight371.22
    AlogP2.92
    HBond donors2
    HBond acceptors6
    Atoms56
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809976.