ChemSpider 2D Image | SB-277011 | C28H30N4O

SB-277011

  • Molecular FormulaC28H30N4O
  • Average mass438.564 Da
  • Monoisotopic mass438.241974 Da
  • ChemSpider ID21259195

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

215803-78-4 [RN]
4-Quinolinecarboxamide, N-[trans-4-[2-(6-cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]- [ACD/Index Name]
N-{trans-4-[2-(6-Cyan-3,4-dihydro-2(1H)-isochinolinyl)ethyl]cyclohexyl}-4-chinolincarboxamid [German] [ACD/IUPAC Name]
N-{trans-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]cyclohexyl}-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-{trans-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-4-quinolinecarboxamide [ACD/IUPAC Name]
N-{trans-4-[2-(6-cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]cyclohexyl}quinoline-4-carboxamide
SB-277011
1226917-67-4 [RN]
MFCD08690601
N-((1r,4r)-4-(2-(6-cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)quinoline-4-carboxamide
More...

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

SB 277011 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Dopamine Receptor MedChem Express HY-10847
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-10847
      SB-277011 is a potent and delective dopamine D3 receptor antagonist (pKi values are 8.0, 6.0, 5.0 and <5.2 for D3, D2, 5-HT1D and 5-HT1B respectively); brain penetrant. MedChem Express
      SB-277011 is a potent and delective dopamine D3 receptor antagonist (pKi values are 8.0, 6.0, 5.0 and <5.2 for D3, D2, 5-HT1D and 5-HT1B respectively); brain penetrant.;IC50 value: 8.0 (pKi);Target: D3 receptor MedChem Express HY-10847

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 17.27
ACD/KOC (pH 5.5): 65.29
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 830.04
ACD/KOC (pH 7.4): 3137.06
Polar Surface Area: 69 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 355.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement