canSAR856334
FEATURES
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NAMES
    SMILES
    COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)[O-])(C2)[C@H]13.[Na+]
    InChI
    InChI=1S/C21H26N2O3.Na/c1-26-9-7-14-10-13-11-21(20(24)25)18-16(6-8-23(12-13)19(14)21)15-4-2-3-5-17(15)22-18;/h2-5,13-14,19,22H,6-12H2,1H3,(H,24,25);/q;+1/p-1/t13?,14-,19-,21+;/m0./s1
    MOLECULAR FORMULA
    C21H25N2NaO3
    CROSS REFERENCES
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    canSAR856334
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight376.18
    AlogP-1.54
    HBond donors1
    HBond acceptors5
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856334.