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2 Drugs in Development

2 Drugs in Development

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Also known as: 1835667-63-4, Unii-0xt2cpr891, Befotertinib [inn], 0xt2cpr891, Surmana, D-0316

Molecular Formula

C₂₉H₃₂F₃N₇O₂

Molecular Weight

567.6 g/mol

InChI Key

USOCZVZOXKTJTI-UHFFFAOYSA-N

FDA UNII

0XT2CPR891

BEFOTERTINIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.

1 2D Structure

Befotertinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

2.1.2 InChI

InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36)

2.1.3 InChI Key

USOCZVZOXKTJTI-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

0XT2CPR891

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1835667-63-4

2. Unii-0xt2cpr891

3. Befotertinib [inn]

4. 0xt2cpr891

5. Surmana

6. D-0316

7. N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

8. D0316

9. 2-propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-

10. N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)prop-2-enamide

11. Compound 4 [wo2019218987a1]

12. D 0316

13. Compound 4 (wo2019218987a1)

14. N-(2-(2-(dimethylamino)ethyl-methylamino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)indol-3-yl)pyrimidin-2-yl)amino)phenyl)prop-2-enamide

15. Refchem:116874

16. D-0316 [who-dd]

17. Befotertinib [who-dd]

18. Orb1303551

19. Chembl5095167

20. Schembl19337178

21. Schembl29774263

22. Schembl30595515

23. Gtpl12951

24. Usoczvzoxktjti-uhfffaoysa-n

25. Glxc-26863

26. Akos040757081

27. Da-71363

28. Ms-30266

29. Hy-137433

30. Cs-0138633

31. F78035

32. N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide

2.4 Create Date

2017-10-07

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₂F₃N₇O₂
Molecular Weight	567.6 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	87.6
Heavy Atom Count	41
Formal Charge	0
Complexity	863
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