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    UNII-6A6FX0J03K

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Facinicline [inn], Facinicline free base, 677306-35-3, 6a6fx0j03k, Chembl2151439, 677306-35-3 (free base)
    Molecular Formula
    C15H18N4O
    Molecular Weight
    270.33  g/mol
    InChI Key
    TXCYUSKWBHUVEP-CYBMUJFWSA-N
    FDA UNII
    6A6FX0J03K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1
    2.1.3 InChI Key
    TXCYUSKWBHUVEP-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)NC(=O)C3=NNC4=CC=CC=C43
    2.1.5 Isomeric SMILES
    C1CN2CCC1[C@@H](C2)NC(=O)C3=NNC4=CC=CC=C43
    2.2 Other Identifiers
    2.2.1 UNII
    6A6FX0J03K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Facinicline [inn]

    2. Facinicline Free Base

    3. 677306-35-3

    4. 6a6fx0j03k

    5. Chembl2151439

    6. 677306-35-3 (free Base)

    7. 1h-indazole-3-carboxamide, N-(3s)-1-azabicyclo(2.2.2)oct-3-yl-

    8. N-((3s)-1-azabicyclo(2.2.2)octan-3-yl)-1h-indazole-3-carboxamide

    9. (s)-n-(quinuclidin-3-yl)-1h-indazole-3-carboxamide

    10. Unii-6a6fx0j03k

    11. N-[(3s)-1-azabicyclo[2.2.2]octan-3-yl]-1h-indazole-3-carboxamide

    12. Rg 3487

    13. Mem63908

    14. Rg3487 Free Base

    15. Schembl45329

    16. Facinicline [who-dd]

    17. Mem3454 Free Base

    18. Rg-3487 Free Base

    19. Mem 3454 Free Base

    20. Mem-3454 Free Base

    21. Dtxsid90218011

    22. Ro-5313534 Free Base

    23. Bdbm50393245

    24. Zinc34057058

    25. Db05586

    26. Q27264402

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 270.33 g/mol
    Molecular Formula C15H18N4O
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass270.14806121 g/mol
    Monoisotopic Mass270.14806121 g/mol
    Topological Polar Surface Area61 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity380
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in alzheimer's disease, neurologic disorders, and schizophrenia and schizoaffective disorders.

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