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ChemSpider 2D Image | SB269652 | C27H30N4O

SB269652

  • Molecular FormulaC27H30N4O
  • Average mass426.553 Da
  • Monoisotopic mass426.241974 Da
  • ChemSpider ID26000574
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Indole-2-carboxamide, N-[trans-4-[2-(7-cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]- [ACD/Index Name]
N-{trans-4-[2-(7-Cyan-3,4-dihydro-2(1H)-isochinolinyl)ethyl]cyclohexyl}-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-{trans-4-[2-(7-Cyano-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]cyclohexyl}-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
N-{trans-4-[2-(7-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-1H-indole-2-carboxamide [ACD/IUPAC Name]
SB269652
​SB-269,652
​SB269652
​SB-269652
10.1021/jm000090i
215802-15-6 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Dopamine Receptor MedChem Express HY-12324
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-12324
      SB269652 is the first drug-like allosteric modulator of the dopamine D2 receptor (D2R); a new chemical probe that can differentiate D2R monomers from dimers or oligomers depending on the observed phar macology. MedChem Express

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 62.80
ACD/KOC (pH 5.5): 169.23
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 2903.53
ACD/KOC (pH 7.4): 7824.97
Polar Surface Area: 72 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

Click to predict properties on the Chemicalize site






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