loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X

Technical details about APTO-253, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. 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

2D Structure

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 Weight 367.4 g/mol
Molecular Formula C22H14FN5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass367.12332363 g/mol
Monoisotopic Mass367.12332363 g/mol
Topological Polar Surface Area70.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Post Enquiry
POST ENQUIRY