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CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

2 Drugs in Development

2 Drugs in Development

Synopsis

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Chemistry

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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

APTO-253

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 Formula	C₂₂H₁₄FN₅
Molecular Weight	367.4 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	367.12332363 g/mol
Monoisotopic Mass	367.12332363 g/mol
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	589
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