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ChemSpider 2D Image | Olaparib | C24H23FN4O3

Olaparib

  • Molecular FormulaC24H23FN4O3
  • Average mass434.463 Da
  • Monoisotopic mass434.175415 Da
  • ChemSpider ID23343272

More details:



Featured data source



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

1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]- [ACD/Index Name]
1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine
4-(3-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-4-fluorbenzyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-(3-{[4-(Cyclopropylcarbonyl)-1-pipérazinyl]carbonyl}-4-fluorobenzyl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-(3-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-4-fluorobenzyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
4-(3-{[4-(Cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one
763113-22-0 [RN]
8685
Lynparza [Trade name]
More...

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

AZD 2281 [DBID]
AZD2281 [DBID]
AZD-2281 [DBID]
BR-40514 [DBID]
CCRIS 4693 [DBID]
KU-0059436 [DBID]
KU59436 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39192]
    • Safety:

      20/21/22 Novochemy [NC-39192]
      20/21/36/37/39 Novochemy [NC-39192]
      5 Axon Medchem 1464
      GHS07; GHS09 Novochemy [NC-39192]
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1464
      H332; H403 Novochemy [NC-39192]
      IRRITANT Matrix Scientific 058044
      L01XX46 Wikidata Q7083106
      no pictogram Axon Medchem 1464
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1464
      P332+P313; P305+P351+P338 Novochemy [NC-39192]
      R28, R38, R41, R48, R62, R63 LKT Labs [O4402]
      R52/53 Novochemy [NC-39192]
      Warning Novochemy [NC-39192]
      Warning Axon Medchem 1464
    • Target Organs:

      PARP inhibitor TargetMol T3015
    • Chemical Class:

      A member of the class of <element>N</element>-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free am ino group of <element>N</element>-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer. ChEBI CHEBI:83766
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10162
      Cell Cycle/DNA Damage; MedChem Express HY-10162
      Chromatin/Epigenetic TargetMol T3015
      Olaparib (AZD2281, KU0059436) is a potent PARP inhibitor with IC50 of 5 and 1 nM for PARP-1and PARP-2, respectively. MedChem Express
      Olaparib (AZD2281, KU0059436) is a potent PARP inhibitor with IC50 of 5 and 1 nM for PARP-1and PARP-2, respectively.; IC50 Value: 5 nM(PARP-1); 1 nM(PARP-2); Target: PARP; in vitro: Olaparib would act against BRCA1 or BRCA2 mutations. MedChem Express HY-10162
      PARP MedChem Express HY-10162
      PARP1/2 TargetMol T3015

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 87.59
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.59
Polar Surface Area: 82 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 301.8±7.0 cm3

Click to predict properties on the Chemicalize site






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