ChemSpider 2D Image | tesevatinib | C24H25Cl2FN4O2

tesevatinib

  • Molecular FormulaC24H25Cl2FN4O2
  • Average mass491.385 Da
  • Monoisotopic mass490.133850 Da
  • ChemSpider ID32699556

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Quinazolinamine, N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-[[(3aR,6aS)-octahydro-2-methylcyclopenta[c]pyrrol-5-yl]methoxy]- [ACD/Index Name]
781613-23-8 [RN]
F6XM2TN5A1
KD-019
KD-020
N-(3,4-Dichlor-2-fluorphenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine [ACD/IUPAC Name]
N-(3,4-Dichloro-2-fluorophényl)-6-méthoxy-7-{[(3aR,5r,6aS)-2-méthyloctahydrocyclopenta[c]pyrrol-5-yl]méthoxy}-4-quinazolinamine [French] [ACD/IUPAC Name]
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}quinazolin-4-amine
tesevatinib [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10079 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at posi tions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. ChEBI CHEBI:167674

    • Bio Activity:

      EGFR MedChem Express HY-13314
      EGFR VEGFR MedChem Express HY-13314
      JAK/STAT Signaling MedChem Express HY-13314
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-13314
      XL647 is an orally bioavailable small-molecule receptor tyrosine kinase inhibitor with potential antineoplastic activity; inhibits EGFR, HER2, VEGFR and EphB4 kinase. MedChem Express , HY-13314
      XL647 is an orally bioavailable small-molecule receptor tyrosine kinase inhibitor with potential antineoplastic activity; inhibits EGFR, HER2, VEGFR and EphB4 kinase.; MedChem Express HY-13314

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 10.76
ACD/KOC (pH 5.5): 21.97
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 55.85
ACD/KOC (pH 7.4): 114.00
Polar Surface Area: 60 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 362.2±3.0 cm3

Click to predict properties on the Chemicalize site


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