ChemSpider 2D Image | LM10 | C11H8FN5

LM10

  • Molecular FormulaC11H8FN5
  • Average mass229.213 Da
  • Monoisotopic mass229.076370 Da
  • ChemSpider ID26631080

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1316695-35-8 [RN]
1H-Indole, 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]- [ACD/Index Name]
6-Fluor-3-[(E)-2-(1H-tetrazol-5-yl)vinyl]-1H-indol [German] [ACD/IUPAC Name]
6-Fluoro-3-[(E)-2-(1H-tetrazol-5-yl)vinyl]-1H-indole [ACD/IUPAC Name]
6-Fluoro-3-[(E)-2-(1H-tétrazol-5-yl)vinyl]-1H-indole [French] [ACD/IUPAC Name]
LM10
(E)-3-(2-(1H-tetrazol-5-yl)vinyl)-6-fluoro-1H-indole
(E)-3-(2-(1H-Tetrazol-5-yl)-vinyl)-6-fluoro-1H-indole
[1316695-35-8] [RN]
6-fluoro-3-[(1E)-2-(2H-1,2,3,4-tetrazol-5-yl)ethenyl]-1H-indole
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 5794
      Other Oxygenases/Oxidases Tocris Bioscience 5794
      Oxygenases/Oxidases Tocris Bioscience 5794
      Selective tryptophan 2,3-dioxygenase (TDO) inhibitor Tocris Bioscience 5794
      Selective tryptophan 2,3-dioxygenase (TDO) inhibitor (IC50 values are 0.62 and 2 ?M for human and mouse TDO, respectively). Exhibits selectivity for TDO over IDO, MAO-A, MAO-B, and a panel of receptors and transporters. Reduces growth of TDO-expressing P815 mastocytoma tumors in mice. Orally bioavailable. Tocris Bioscience 5794
      Selective tryptophan 2,3-dioxygenase (TDO) inhibitor (IC50 values are 0.62 and 2 muM for human and mouse TDO, respectively). Exhibits selectivity for TDO over IDO, MAO-A, MAO-B, and a panel of receptors and transporters. Reduces growth of TDO-expressing P815 mastocytoma tumors in mice. Orally bioavailable. Tocris Bioscience 5794
      TDO Tocris Bioscience 5794

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 522.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.8±32.9 °C
Index of Refraction: 1.829
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.10
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 70 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 90.7±3.0 dyne/cm
Molar Volume: 147.3±3.0 cm3

Click to predict properties on the Chemicalize site


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