ChemSpider 2D Image | Silmitasertib | C19H12ClN3O2


  • Molecular FormulaC19H12ClN3O2
  • Average mass349.771 Da
  • Monoisotopic mass349.061798 Da
  • ChemSpider ID25057795

More details:

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

1009820-21-6 [RN]
5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid [ACD/IUPAC Name]
5-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
5-[(3-Chlorphenyl)amino]benzo[c][2,6]naphthyridin-8-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-[(3-chlorophényl)amino]benzo[c][2,6]naphtyridine-8-carboxylique [French] [ACD/IUPAC Name]
Benzo[c][2,6]naphthyridine-8-carboxylic acid, 5-[(3-chlorophenyl)amino]- [ACD/Index Name]
Silmitasertib [Wiki]

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

9213 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29194]
    • Safety:

      20/21/22 Novochemy [NC-29194]
      20/21/36/37/39 Novochemy [NC-29194]
      GHS07; GHS09 Novochemy [NC-29194]
      H332; H403 Novochemy [NC-29194]
      IRRITANT Matrix Scientific 090615
      P301+P310; P337+P313 Novochemy [NC-29194]
      R52/53 Novochemy [NC-29194]
      Warning Novochemy [NC-29194]
    • Target Organs:

      Casein Kinase inhibitor TargetMol T2259
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-50855
      Cell Cycle/DNA Damage; MedChem Express HY-50855
      CK2 MedChem Express HY-50855
      CK2 TargetMol T2259
      CX-4945 (Silmitasertib) is a potent and selective ATP-competitive small molecule protein kinase CK2 inhibitor with a Ki and an IC50 of 0.38 and 1 nM for recombinant human CK2?, respectively. MedChem Express HY-50855
      Metabolism TargetMol T2259

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.789
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 31.04
ACD/KOC (pH 5.5): 117.86
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 8.07
Polar Surface Area: 75 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site