Cinaciguat C36H39NO5 structure

C36H39NO5 structure
Molecular Formula C36H39NO5
Average mass 565.699 Da
Density 1.2±0.1 g/cm3
Boiling Point 731.0±60.0 °C at 760 mmHg
Flash Point 395.9±32.9 °C
Molar Refractivity 165.5±0.3 cm3
Polarizability 65.6±0.5 10-24cm3
Surface Tension 53.2±3.0 dyne/cm
Molar Volume 474.6±3.0 cm3
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Guanylate cyclase activator TargetMol T1984
    • Bio Activity:

      Cinaciguat (BAY 58-2667) is the first of a new class of soluble guanylate cyclase (sGC) activators in clinical development for acute decompensated heart failure. MedChem Express http://www.medchemexpress.com/vernakalant.html, HY-14181
      Cinaciguat (BAY 58-2667) is the first of a new class of soluble guanylate cyclase (sGC) activators in clinical development for acute decompensated heart failure. ;IC50 value:;Target: sGC activatorCinaciguat has potent preload- and afterload-reducing effects, increasing cardiac output. Cinaciguat causes potent and sustained fetal pulmonary vasodilation that is augmented in the presence of oxidized sGC and speculate that Cinaciguat may have therapeutic potential for severe neonatal pulmonary hypertension. MedChem Express HY-14181
      Enzyme TargetMol T1984
      Guanylate Cyclase MedChem Express HY-14181
      Others MedChem Express HY-14181
      sGC TargetMol T1984

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 277.38
ACD/KOC (pH 5.5): 248.63
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 115.61
ACD/KOC (pH 7.4): 103.62
Polar Surface Area: 87 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 474.6±3.0 cm3

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