ChemSpider 2D Image | NCL-00017509 | C15H12N6O

NCL-00017509

  • Molecular FormulaC15H12N6O
  • Average mass292.295 Da
  • Monoisotopic mass292.107269 Da
  • ChemSpider ID59710595

More details:

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

1507367-00-1 [RN]
2-{3-[(6-Ethinyl-9H-purin-2-yl)amino]phenyl}acetamid [German] [ACD/IUPAC Name]
2-{3-[(6-Ethynyl-9H-purin-2-yl)amino]phenyl}acetamide [ACD/IUPAC Name]
2-{3-[(6-Éthynyl-9H-purin-2-yl)amino]phényl}acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 3-[(6-ethynyl-9H-purin-2-yl)amino]- [ACD/Index Name]
NCL-00017509
[1507367-00-1] [RN]
2-(3-(6-Ethynyl-9H-purin-2-ylamino)phenyl)acetamide
2-[3-[(6-ethynyl-7H-purin-2-yl)amino]phenyl]acetamide
3-[(6-ethynyl-9H-purin-2-yl)amino]-benzeneacetamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 5150
      Kinases Tocris Bioscience 5150
      Nek2 Kinase Tocris Bioscience 5150
      Potent and reversible NIMA related kinase 2 (Nek2) inhibitor Tocris Bioscience 5150
      Potent and reversible NIMA related kinase 2 (Nek2) inhibitor (IC50 = 56 nM). Induces increased mitotic abnormalities and mitotic delay. Cell permeable and active in vivo. Tocris Bioscience 5150

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 67.06
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 65.88
Polar Surface Area: 110 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 98.0±5.0 dyne/cm
Molar Volume: 200.1±5.0 cm3

Click to predict properties on the Chemicalize site


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