Metabolite Olaparib M10 metabolite
- Name
- Olaparib M10 metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 450.47
Monoisotopic: 450.1703334 - Chemical Formula
- C24H23FN4O4
- InChI Key
- ZXEUVLDIXBFJCR-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H23FN4O4/c25-19-8-7-15(21(30)20-16-3-1-2-4-17(16)22(31)27-26-20)13-18(19)24(33)29-11-9-28(10-12-29)23(32)14-5-6-14/h1-4,7-8,13-14,21,30H,5-6,9-12H2,(H,27,31)
- IUPAC Name
- 4-{[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorophenyl](hydroxy)methyl}-1,2-dihydrophthalazin-1-one
- SMILES
- OC(C1=CC=C(F)C(=C1)C(=O)N1CCN(CC1)C(=O)C1CC1)C1=NNC(=O)C2=CC=CC=C12
- Reactions
- Olaparib Olaparib M10 metabolite
- Olaparib M10 metabolite Olaparib M12 metabolite
- Olaparib Olaparib M10 metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 202.72641 predictedDeepCCS 1.0 (2019) [M+H]+ 205.12198 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.0345 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 107436521
- Predicted Properties
Property Value Source Water Solubility 0.101 mg/mL ALOGPS logP 2.26 ALOGPS logP 1.25 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 9.88 Chemaxon pKa (Strongest Basic) -0.94 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.31 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 118.87 m3·mol-1 Chemaxon Polarizability 45.41 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon