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    APTO 253

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Apto-253, 916151-99-0, Lor-253, Lt-253, Lt-253(former code), Lor-253(former code)
    Molecular Formula
    C22H14FN5
    Molecular Weight
    367.4  g/mol
    InChI Key
    NIRXBXIPHUTNNI-UHFFFAOYSA-N
    FDA UNII
    WB59MRW00U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
    2.1.2 InChI
    InChI=1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)
    2.1.3 InChI Key
    NIRXBXIPHUTNNI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6
    2.2 Other Identifiers
    2.2.1 UNII
    WB59MRW00U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Apto-253

    2.3.2 Depositor-Supplied Synonyms

    1. Apto-253

    2. 916151-99-0

    3. Lor-253

    4. Lt-253

    5. Lt-253(former Code)

    6. Lor-253(former Code)

    7. Apto253 Free Base

    8. Wb59mrw00u

    9. 916151-99-0 (free Base)

    10. 1h-imidazo(4,5-f)(1,10)phenanthroline, 2-(5-fluoro-2-methyl-1h-indol-3-yl)-

    11. 2-(5-fluoro-2-methyl-1h-indol-3-yl)-1h-imidazo(4,5-f)(1,10)phenanthroline

    12. Apto253

    13. Apto 253

    14. Lor253

    15. Unii-wb59mrw00u

    16. Chembl4297261

    17. Schembl10067266

    18. Lt-253lor-253

    19. Ex-a3460

    20. Lor-253;lt-253

    21. Nsc789042

    22. S6963

    23. Zinc137222115

    24. Cs-5226

    25. Nsc-789042

    26. Ncgc00484061-01

    27. Ac-36395

    28. Ba166663

    29. Hy-16291

    30. A13838

    31. E76865

    32. A915416

    2.4 Create Date
    2006-12-11
    3 Chemical and Physical Properties
    Molecular Weight 367.4 g/mol
    Molecular Formula C22H14FN5
    XLogP34.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass367.12332363 g/mol
    Monoisotopic Mass367.12332363 g/mol
    Topological Polar Surface Area70.2 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity589
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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