ChemSpider 2D Image | JNJ-40411813 | C20H25ClN2O

JNJ-40411813

  • Molecular FormulaC20H25ClN2O
  • Average mass344.878 Da
  • Monoisotopic mass344.165527 Da
  • ChemSpider ID28424210

More details:






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

1127498-03-6 [RN]
1-Butyl-3-chlor-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-Butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone [ACD/IUPAC Name]
1-Butyl-3-chloro-4-(4-phényl-1-pipéridinyl)-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)- [ACD/Index Name]
JNJ-40411813
1-?butyl-?3-?chloro-?4-?(4-?phenyl-?1-?piperidinyl)?-2(1H)?-?Pyridinone
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2(1H)-one
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
ADX71149
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

612BYT76F3 [DBID]
UNII:612BYT76F3 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      GPCR/G protein MedChem Express HY-15748
      GPCR/G protein; MedChem Express HY-15748
      JNJ-40411813 is a novel positive allosteric modulator of the metabotropic Glutamate 2 receptor (mGlu2R) with EC50 of 147 nM. MedChem Express
      JNJ-40411813 is a novel positive allosteric modulator of the metabotropic Glutamate 2 receptor (mGlu2R) with EC50 of 147 nM.; IC50 value: 147 nM(EC50); Target: mGlu2R; JNJ-40411813 displayed an optimal interplay between potency, selectivity, favorable ADMET/PK and cardiovascular safety profile, and central EEG activity. MedChem Express HY-15748
      JNJ-40411813 is a novel positive allosteric modulator of the metabotropic Glutamate 2 receptor (mGlu2R) with EC50 of 147 nM.;IC50 value: 147 nM(EC50);Target: mGlu2RJNJ-40411813 displayed an optimal interplay between potency, selectivity, favorable ADMET/PK and cardiovascular safety profile, and central EEG activity. JNJ-40411813 has been investigated in the clinic for schizophrenia and anxious depression disorders. MedChem Express HY-15748
      mGluR MedChem Express HY-15748

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

Density: 1.2±0.1 g/cm3
Boiling Point: 463.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.1±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.08
ACD/KOC (pH 5.5): 2811.90
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.09
ACD/KOC (pH 7.4): 2812.00
Polar Surface Area: 24 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

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