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Search term: BKWJAKQVGHWELA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | adavosertib | C27H32N8O2

adavosertib

  • Molecular FormulaC27H32N8O2
  • Average mass500.595 Da
  • Monoisotopic mass500.264832 Da
  • ChemSpider ID24808590

More details:

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

1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-2-YL]-6-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-2-(PROP-2-EN-1-YL)PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)- [ACD/Index Name]
955365-80-7 [RN]
adavosertib [INN]
adavosertib [French] [INN]
adavosertib [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10667 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Wee1 inhibitor TargetMol T2077

    • Bio Activity:

      Cell Cycle/Checkpoint TargetMol T2077
      Cell Cycle/DNA Damage MedChem Express HY-10993
      Cell Cycle/DNA Damage; MedChem Express HY-10993
      MK-1775 is a potent and selective Wee1 inhibitor with IC50 of 5.2 nM; hinders G2 DNA damage checkpoint. MedChem Express
      MK-1775 is a potent and selective Wee1 inhibitor with IC50 of 5.2 nM; hinders G2 DNA damage checkpoint.; IC50 Value: 5.2 nM; Target: Wee1; in vitro: MK-1775 inhibits Wee1 kinase in an ATP-competitive manner. MedChem Express HY-10993
      Wee1 MedChem Express HY-10993
      Wee1 TargetMol T2077

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 36.27
Polar Surface Area: 101 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 387.2±3.0 cm3

Click to predict properties on the Chemicalize site


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