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    Fonadelpar

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 515138-06-4, Fonadelpar [usan], Nps-005, Sjp-0035, Fk5zad810z, 2-((3-(2-(4-isopropyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)ethyl)-5-methylbenzo[d]isoxazol-6-yl)oxy)acetic acid
    Molecular Formula
    C25H23F3N2O4S
    Molecular Weight
    504.5  g/mol
    InChI Key
    WWKYLBGQYALEDL-UHFFFAOYSA-N
    FDA UNII
    FK5ZAD810Z
    Fonadelpar is under investigation in clinical trial NCT03527212 (A Study to Assess the Safety and Effectiveness of SJP-0035 for the Treatment of Patients With Dry Eye Disease).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[5-methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]oxy]acetic acid
    2.1.2 InChI
    InChI=1S/C25H23F3N2O4S/c1-13(2)23-21(35-24(29-23)15-4-6-16(7-5-15)25(26,27)28)9-8-18-17-10-14(3)19(33-12-22(31)32)11-20(17)34-30-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,31,32)
    2.1.3 InChI Key
    WWKYLBGQYALEDL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(C=C1OCC(=O)O)ON=C2CCC3=C(N=C(S3)C4=CC=C(C=C4)C(F)(F)F)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    FK5ZAD810Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 515138-06-4

    2. Fonadelpar [usan]

    3. Nps-005

    4. Sjp-0035

    5. Fk5zad810z

    6. 2-((3-(2-(4-isopropyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)ethyl)-5-methylbenzo[d]isoxazol-6-yl)oxy)acetic Acid

    7. 2-[[5-methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]oxy]acetic Acid

    8. Acetic Acid, 2-((5-methyl-3-(2-(4-(1-methylethyl)-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)ethyl)-1,2-benzisoxazol-6-yl)oxy)-

    9. Unii-fk5zad810z

    10. Fonadelpar [inn]

    11. Fonadelpar (usan/inn)

    12. Fonadelpar [who-dd]

    13. Schembl1765984

    14. Chembl3545186

    15. Wwkylbgqyaledl-uhfffaoysa-n

    16. Akos040741758

    17. Sb18835

    18. Hy-17633

    19. Cs-0016824

    20. D10880

    21. (3-(2-(4-isopropyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)ethyl-5-methyl-1,2-benzisoxazol-6-yl)oxyacetic Acid

    22. 2-((5-methyl-3-(2-(4-(1-methylethyl)-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)ethyl)-1,2-benzisoxazol-6-yl)oxy)acetic Acid

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 504.5 g/mol
    Molecular Formula C25H23F3N2O4S
    XLogP36.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area114
    Heavy Atom Count35
    Formal Charge0
    Complexity719
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1