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    SJ733

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: (+)-sj733, 1424799-20-1, Sj-733, Sj733, Vt3a7na96k, (3s,4s)-n-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
    Molecular Formula
    C24H16F4N4O2
    Molecular Weight
    468.4  g/mol
    InChI Key
    VKCPFWKTFZAOTO-LEWJYISDSA-N
    FDA UNII
    VT3A7NA96K
    SJ-733 has been used in trials studying Malaria.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
    2.1.2 InChI
    InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1
    2.1.3 InChI Key
    VKCPFWKTFZAOTO-LEWJYISDSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    VT3A7NA96K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sj733

    2.3.2 Depositor-Supplied Synonyms

    1. (+)-sj733

    2. 1424799-20-1

    3. Sj-733

    4. Sj733

    5. Vt3a7na96k

    6. (3s,4s)-n-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide

    7. (3s,4s)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoro-ethyl)-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic Acid (3-cyano-4-fluoro-phenyl)-amide

    8. (3s,4s)-n-(3-cyano-4-fluorophenyl)-1-oxo-3-(pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

    9. Gtpl9723

    10. Chembl4207489

    11. Schembl14871903

    12. Vkcpfwktfzaoto-lewjyisdsa-n

    13. Akos040742855

    14. Cs-8066

    15. Db12659

    16. Da-48587

    17. Hy-19556

    18. Ms-28639

    19. Ns00073436

    20. (+)-sj557733

    21. G15923

    22. (+)-sj000557733

    23. En300-22861442

    24. Q27292006

    25. (3s,4s)-n-(3-cyano-4-fluorophenyl)-1-oxo-3-(pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 468.4 g/mol
    Molecular Formula C24H16F4N4O2
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area86.1
    Heavy Atom Count34
    Formal Charge0
    Complexity813
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1