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| IUPAC Name: | 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one |
| Description: | Dimethyl (3-Oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate (CAS# 61260-15-9) is a reagent used in the synthesis of 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one, an inhibitor of both PARP-1 AND PARP-2 that shows standalone activity against BRCA1-deficient breast cancer cell lines. |
| Molecular Weight: | 242.17 |
| Molecular Formula: | C10H11O5P |
| Canonical SMILES: | COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC |
| InChI: | InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3 |
| InChI Key: | KEKUNQAVGWOYDW-UHFFFAOYSA-N |
| Appearance: | Solid |
| MDL: | MFCD16883476 |
| LogP: | 2.34150 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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