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Also known as: 1360622-01-0, Gs-248, Fn57bdr4da, 1h-benzimidazole-5-carboxamide, 2-((2,6-dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-n-(trans-4-(trifluoromethyl)cyclohexyl)-, 2-((2,6-dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-n-(trans-4-(trifluoromethyl)cyclohexyl)-1h-benzimidazole-5-carboxamide, Vipoglanstat [inn]

Molecular Formula

C₃₀H₃₄Cl₂F₅N₅O₃

Molecular Weight

678.5 g/mol

InChI Key

PFORUFFGGNOLPJ-UHFFFAOYSA-N

FDA UNII

FN57BDR4DA

VIPOGLANSTAT is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.

1 2D Structure

Vipoglanstat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C30H34Cl2F5N5O3/c1-29(2,3)27(44)38-13-15-5-10-19(31)25(24(15)32)41-28-40-20-11-18(22(45-14-23(33)34)12-21(20)42(28)4)26(43)39-17-8-6-16(7-9-17)30(35,36)37/h5,10-12,16-17,23H,6-9,13-14H2,1-4H3,(H,38,44)(H,39,43)(H,40,41)

2.1.3 InChI Key

PFORUFFGGNOLPJ-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

FN57BDR4DA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1360622-01-0

2. Gs-248

3. Fn57bdr4da

4. 1h-benzimidazole-5-carboxamide, 2-((2,6-dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-n-(trans-4-(trifluoromethyl)cyclohexyl)-

5. 2-((2,6-dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-n-(trans-4-(trifluoromethyl)cyclohexyl)-1h-benzimidazole-5-carboxamide

6. Vipoglanstat [inn]

7. Unii-fn57bdr4da

8. Bi-1029539

9. Orb1738606

10. Chembl3694493

11. Schembl10169877

12. Schembl11970119

13. Schembl29589517

14. Schembl30789348

15. Gtpl12209

16. Pforuffggnolpj-qaqduykdsa-n

17. Bdbm124265

18. Gs248

19. Da-78897

20. Ms-31082

21. Bi1029539

22. Hy-147416

23. Bi 1029539

24. Cs-0564159

25. Us8759537, 1

26. 2-((2,6-dichloro-3-(pivalamidomethyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-n-(trans-4-(trifluoromethyl)cyclohexyl)-1h-benzo[d]imidazole-5-carboxamide

27. 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-n-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide

28. 2-{2,6-dichloro-3-[(2,2-dimethylpropanamido)methyl]anilino}-6-(2,2-difluoroethoxy)-1-methyl-n-[trans-4-(trifluoromethyl)cyclohexyl]-1h-benzimidazole-5-carboxamide

2.4 Create Date

2012-03-05

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₄Cl₂F₅N₅O₃
Molecular Weight	678.5 g/mol
XLogP3	7.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	97.3
Heavy Atom Count	45
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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