ChemSpider 2D Image | GSK3117391 | C22H33N3O4

GSK3117391

  • Molecular FormulaC22H33N3O4
  • Average mass403.515 Da
  • Monoisotopic mass403.247101 Da
  • ChemSpider ID45743499

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl}méthyl)amino]acétate de cyclopentyle [French] [ACD/IUPAC Name]
1018673-42-1 [RN]
Cyclohexaneacetic acid, α-[[[6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl]methyl]amino]-, cyclopentyl ester, (αS)- [ACD/Index Name]
CYCLOPENTYL (2S)-2-CYCLOHEXYL-2-[({6-[2-(HYDROXYCARBAMOYL)ETHYL]PYRIDIN-3-YL}METHYL)AMINO]ACETATE
Cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl}methyl)amino]acetate [ACD/IUPAC Name]
Cyclopentyl-(2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl}methyl)amino]acetat [German] [ACD/IUPAC Name]
GSK3117391
(?S)?-?-?[[[6-?[3-?(hydroxyamino)?-?3-?oxopropyl]?-?3-?pyridinyl]?methyl]?amino]?-?Cyclohexaneacetic acid, cyclopentyl ester
(2R)-2-azaniumyl-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoate
Cyclohexaneacetic acid, ?-[[[6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl]methyl]amino]-, cyclopentyl ester, (?S)-
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-19772
      Cell Cycle/DNA Damage; MedChem Express HY-19772
      HDAC MedChem Express HY-19772
      HDAC-IN-3 is a histone deacetylase (HDAC) inhibitor, extracted from patent WO/2008040934 A1.; Target: HDAC MedChem Express HY-19772
      HDAC-IN-3 is a histone deacetylase (HDAC) inhibitor, extracted from patent WO/2008040934 A1.;Target: HDAC MedChem Express HY-19772

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 19.34
ACD/KOC (pH 5.5): 224.15
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.21
ACD/KOC (pH 7.4): 535.57
Polar Surface Area: 101 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

Click to predict properties on the Chemicalize site


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