ChemSpider 2D Image | Encorafenib | C22H27ClFN7O4S

Encorafenib

  • Molecular FormulaC22H27ClFN7O4S
  • Average mass540.011 Da
  • Monoisotopic mass539.151794 Da
  • ChemSpider ID28536139
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(2S)-1-{[4-(3-{5-Chloro-2-fluoro-3-[(méthylsulfonyl)amino]phényl}-1-isopropyl-1H-pyrazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate de méthyle [French] [ACD/IUPAC Name]
1269440-17-6 [RN]
8L7891MRB6
9816
Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester [ACD/Index Name]
Encorafenib [INN] [USAN]
Encorafenib [Spanish] [INN]
Encorafénib [French] [INN]
Encorafenibum [Latin] [INN]
LGX818
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      LGX818 is an orally available mutated BRaf V600E inhibitor(IC50=0.3 nM) with potential antineoplastic activity. MedChem Express
      LGX818 is an orally available mutated BRaf V600E inhibitor(IC50=0.3 nM) with potential antineoplastic activity.; IC50 value: 0.3 nM (BRaf V600E biochemical); 2 nM (A375 cell proliferation) [1]; Target: mutated BRaf V600E; LGX818 is a drug candidate for the treatment of melanoma with the V600E mutation in the B-RAF kinase. MedChem Express HY-15605
      LGX818 is an orally available mutated BRaf V600E inhibitor(IC50=0.3 nM) with potential antineoplastic activity.;IC50 value: 0.3 nM (BRaf V600E biochemical); 2 nM (A375 cell proliferation) [1];Target: mutated BRaf V600ELGX818 is a drug candidate for the treatment of melanoma with the V600E mutation in the B-RAF kinase. The substance is being developed by Novartis, is in phase III clinical trials, and was disclosed at the spring 2013 American Chemical Society meeting in New Orleans.More information can be found in Patent WO2011025927A1. MedChem Express HY-15605
      MAPK MedChem Express HY-15605
      MAPK; MedChem Express HY-15605
      Raf MedChem Express HY-15605

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 65.63
ACD/KOC (pH 5.5): 628.31
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 34.07
Polar Surface Area: 149 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 371.7±7.0 cm3

Click to predict properties on the Chemicalize site





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