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Home > Fluorides > 1316695-35-8
1316695-35-8 | 1H-Indole, 6-fluoro-3-[(1E)-2-(2H-tetrazol-5-yl)ethenyl]-
CAS No: 1316695-35-8 Catalog No: AG000ZJU MDL No:MFCD26097257
Product Description
Catalog Number:
AG000ZJU
Chemical Name:
1H-Indole, 6-fluoro-3-[(1E)-2-(2H-tetrazol-5-yl)ethenyl]-
CAS Number:
1316695-35-8
Molecular Formula:
C11H8FN5
Molecular Weight:
229.2131
MDL Number:
MFCD26097257
IUPAC Name:
6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
InChI:
InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChI Key:
JDBSZVDIUIRSDG-DAFODLJHSA-N
SMILES:
Fc1ccc2c(c1)[nH]cc2/C=C/c1n[nH]nn1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
229.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.218g/mol
Monoisotopic Mass:
229.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase. | Proceedings of the National Academy of Sciences of the United States of America 20120214 |
| Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. | Journal of medicinal chemistry 20110811 |
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