ChemSpider 2D Image | CPI-0610 | C20H16ClN3O2

CPI-0610

  • Molecular FormulaC20H16ClN3O2
  • Average mass365.813 Da
  • Monoisotopic mass365.093109 Da
  • ChemSpider ID32738784

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1380087-89-7 [RN]
2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorophényl)-1-méthyl-4H-[1,2]oxazolo[5,4-d][2]benzazépin-4-yl]acétamide [French] [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorphenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamid [German] [ACD/IUPAC Name]
4H-Isoxazolo[5,4-d][2]benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4S)- [ACD/Index Name]
CPI-0610
U4017GUQ06
(4S)-6-(4-chlorophenyl)-1-methyl-4H-isoxazolo[5,4-d][2]benzazepine-4-acetamide
(S)-2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide
2-((4s)-6-(4-chlorophenyl)-1-methyl-4h-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide
More...

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

PubChem Substance ID 329825761 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organic heterotricyclic compound that is 4H-[1,2]oxazolo[5,4-d][2]benzazepine substituted by methyl, 2-amino-2-oxoethyl, and 4-chlorophenyl groups at positions 1, 4S and 6, respectively. It is a sm all molecule inhibitor of bromodomain and extra-terminal (BET) proteins and exhibits antineoplastic activity. ChEBI CHEBI:189653

    • Bio Activity:

      BET bromodomain MedChem Express HY-12863
      Cell Cycle/DNA Damage; MedChem Express HY-12863

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.64
ACD/KOC (pH 5.5): 657.17
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.66
ACD/KOC (pH 7.4): 657.36
Polar Surface Area: 81 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 258.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement