ChemSpider 2D Image | tegobuvir | C25H14F7N5

tegobuvir

  • Molecular FormulaC25H14F7N5
  • Average mass517.401 Da
  • Monoisotopic mass517.113770 Da
  • ChemSpider ID25069714

More details:






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

1000787-75-6 [RN]
5-({6-[2,4-Bis(trifluormethyl)phenyl]-3-pyridazinyl}methyl)-2-(2-fluorphenyl)-5H-imidazo[4,5-c]pyridin [German] [ACD/IUPAC Name]
5-({6-[2,4-Bis(trifluoromethyl)phenyl]-3-pyridazinyl}methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine [ACD/IUPAC Name]
5-({6-[2,4-Bis(trifluorométhyl)phényl]-3-pyridazinyl}méthyl)-2-(2-fluorophényl)-5H-imidazo[4,5-c]pyridine [French] [ACD/IUPAC Name]
5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)- [ACD/Index Name]
5NOK5X389M
9254
tegobuvir [Spanish] [INN]
tégobuvir [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GS-333126 [DBID]
GS-9190 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-10544
      Anti-infection; MedChem Express HY-10544
      HCV MedChem Express HY-10544
      Tegobuvir (GS-9190; GS 333126) is a non-nucleoside nonstructural protein (NS)5B polymerase inhibitor. MedChem Express
      Tegobuvir (GS-9190; GS 333126) is a non-nucleoside nonstructural protein (NS)5B polymerase inhibitor.; IC50 Value: ; Target: HCV; Tegobuvir is a novel imidazopyridine inhibitor of hepatitis C virus (HCV) RNA replication in vitro and has demonstrated potent antiviral activity in patients chronically infected with genotype 1 (GT1) HCV. MedChem Express HY-10544
      Tegobuvir (GS-9190; GS 333126) is a non-nucleoside nonstructural protein (NS)5B polymerase inhibitor.;IC50 Value: ;Target: HCV;Tegobuvir is a novel imidazopyridine inhibitor of hepatitis C virus (HCV) RNA replication in vitro and has demonstrated potent antiviral activity in patients chronically infected with genotype 1 (GT1) HCV. Tegobuvir exhibits reduced activity against GT2a (JFH1) subgenomic replicons and GT2a (J6/JFH1) infectious virus, suggesting that the compd.'s mechanism of action involves a genotype-specific viral component. MedChem Express HY-10544

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 558.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 14.71
ACD/KOC (pH 5.5): 67.52
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 168.49
ACD/KOC (pH 7.4): 773.33
Polar Surface Area: 54 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 352.5±7.0 cm3

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