ChemSpider 2D Image | Radotinib | C27H21F3N8O


  • Molecular FormulaC27H21F3N8O
  • Average mass530.504 Da
  • Monoisotopic mass530.179016 Da
  • ChemSpider ID17222861

More details:

Featured data source

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

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]-3-{[4-(2-pyrazinyl)-2-pyrimidinyl]amino}benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(2-pyrazinyl)-2-pyrimidinyl]amino}benzamide [ACD/IUPAC Name]
4-Méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]-3-{[4-(2-pyrazinyl)-2-pyrimidinyl]amino}benzamide [French] [ACD/IUPAC Name]
926037-48-1 [RN]
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(2-pyrazinyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
(Z)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzimidic acid

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

9242 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Bcr-Abl inhibitor TargetMol T2328
    • Bio Activity:

      Bcr-Abl MedChem Express HY-15728
      Bcr-Abl TargetMol T2328
      Protein Tyrosine Kinase/RTK MedChem Express HY-15728
      Protein Tyrosine Kinase/RTK; MedChem Express HY-15728
      Radotinib(IY-5511) is a novel and selective BCR-ABL1 tyrosine kinase inhibitor with IC50 of 34 nM for wild-type BCR-ABL1 kinase.; IC50 value: 34 nM [1]; Target: BCR-ABL1 inhibitor; Radotinib is a BCR-ABL1 specific 2nd-generation tyrosine kinase inhibitor. MedChem Express HY-15728
      Tyrosine Kinase/Adaptors TargetMol T2328

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 437.92
ACD/KOC (pH 5.5): 2085.36
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1074.67
ACD/KOC (pH 7.4): 5117.58
Polar Surface Area: 111 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 377.3±7.0 cm3

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