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Search term: CC(C)C1=C\C(=N/O)C(C)=CC1=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-Methyl-5-(1-Methylethyl)cyclohexa-2,5-Diene-1,4-Dione 1-Oxime | C10H13NO2

2-Methyl-5-(1-Methylethyl)cyclohexa-2,5-Diene-1,4-Dione 1-Oxime

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID26328700

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(Hydroxyimino)-2-isopropyl-5-methyl-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4E)-4-(Hydroxyimino)-2-isopropyl-5-methyl-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4E)-4-(Hydroxyimino)-2-isopropyl-5-méthyl-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
17302-61-3 [RN]
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-, 1-oxime, (1E)- [ACD/Index Name]
2-Methyl-5-(1-Methylethyl)cyclohexa-2,5-Diene-1,4-Dione 1-Oxime
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-, 1-oxime [ACD/Index Name]
2,5-Cyclohexadiene-1,4-dione,2-methyl-5-(1-methylethyl)-,1-oxime
MFCD22572808
Poloxime
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-77195
      Cell Cycle/DNA Damage; MedChem Express HY-77195
      Polo-like Kinase (PLK) MedChem Express HY-77195
      The phosphoserine/phosphothreonine recognition site of the polo-box domain of polo-like kinase 1 is the binding pocket for thymoquinone and its analogue poloxime. MedChem Express http://www.medchemexpress.com/cephalomannine.html, HY-77195
      The phosphoserine/phosphothreonine recognition site of the polo-box domain of polo-like kinase 1 is the binding pocket for thymoquinone and its analogue poloxime. Both small molecules displace phosphopeptides bound with the polo-box domain in a slow but noncovalent binding mode.;IC50 value:;Target:Poloxime displaces phosphopeptides bound with the polo-box domain in a slow but noncovalent binding mode. MedChem Express HY-77195

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

Density: 1.1±0.1 g/cm3
Boiling Point: 296.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.3±6.0 kJ/mol
Flash Point: 133.3±25.4 °C
Index of Refraction: 1.534
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 57.71
ACD/KOC (pH 5.5): 614.42
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 66.16
Polar Surface Area: 50 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 161.7±7.0 cm3

Click to predict properties on the Chemicalize site


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