| BioID | bio199334 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL260880 |
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| Molecular Formula | C20H20O8P2 |
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| Molecular Weight | 450.32 |
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| Molecular Weight (Monoisotopic) | 450.0633 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) |
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| Smiles | O=P(O)(O)C(O)(COc1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O |
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| Inchi | InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) |
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| Inchi Key | NWIARQRYIRVYCM-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 10.0 |
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| Np Likeness Score | -0.29 |
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| Records Key | ['38', 'BPH-676'] |
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| Records Name | [1-Hydroxy-2-([1',1',3'1'']terphenyl-3''-yloxy)-ethylidene-1,1-bisphosphonic Acid", "[1-Hydroxy-1-phosphono-2-([1,1',3',1'']terphenyl-3''-yloxy)-ethyl]-phosphonic acid"]" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
