| BioID | bio854 |
|---|
| Name | ISOXEPAC |
|---|
| ChEMBL ID | CHEMBL33211 |
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| Molecular Formula | C16H12O4 |
|---|
| Molecular Weight | 268.27 |
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| Molecular Weight (Monoisotopic) | 268.0736 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar11 |
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| Target Name | Proto-oncogene c-RAF (c-RAF) |
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| Synonyms | HP 549|HP-549|ISOXEPAC|ISOXEPACO|Isoxepac|NSC-300907|OLOPATADINE RELATED COMPOUND C|P 720549|P-720549 |
|---|
| Smiles | O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 |
|---|
| Inchi | InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18) |
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| Inchi Key | QFGMXJOBTNZHEL-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 36.0 |
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| Np Likeness Score | 0.14 |
|---|
| Records Key | ['Isoxpec', '10', '7', 'SID170466166', '40', 'Isoxepac', 'ISOXEPAC', 'ISOXEPAC', '11', '2', 'Isoxepac', 'Isoxepac'] |
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| Records Name | ['(11-Oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid', '6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid', '2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid', 'SID170466166', '2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid', 'Isoxepac', 'ISOXEPAC', 'ISOXEPAC', '6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid', '2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid', 'Isoxepac', 'Isoxepac'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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