| BioID | bio200477 |
|---|
| Name | SALMETEROL XINAFOATE |
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| ChEMBL ID | CHEMBL1082607 |
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| Molecular Formula | C36H45NO7 |
|---|
| Molecular Weight | 603.76 |
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| Molecular Weight (Monoisotopic) | 415.2723 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | GR 33343 G|GR-33343 G|GR-33343X|LIPO-202|SALMETEROL 1-HYDROXY-2-NAPHTHOATE|SALMETEROL XINAFOATE|SEREVENT |
|---|
| Smiles | O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O |
|---|
| Inchi | InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14) |
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| Inchi Key | XTZNCVSCVHTPAI-UHFFFAOYSA-N |
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| Molecular Species | BASE |
|---|
| Targets | 74.0 |
|---|
| Bioactivities | 141.0 |
|---|
| Np Likeness Score | 0.2 |
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| Records Key | ['SALMETEROL XINAFOATE', 'Salmeterol xinafoate', 'SID56320806', 'SID29215171', 'SID50107004', 'SID90341116', 'salmeterol xinafoate', 'NCGC00094372-01', 'SID26753648', 'SID144204822', 'SID170465397', 'SID56320805', 'Salmeterol (xinafoate)', 'SALMETEROL XINAFOATE', 'SALMETEROL XINAFOATE', 'Salmeterol xinafoate', 'SALMETEROL (XINAFOATE)', 'Salmeterol (xinafoate)', 'Salmeterol (xinafoate)'] |
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| Records Name | ['SALMETEROL XINAFOATE', 'Salmeterol xinafoate', 'SID56320806', 'SID29215171', 'SID50107004', 'SID90341116', 'salmeterol xinafoate', 'Salmeterol xinafoate', 'SID26753648', 'SID144204822', 'SID170465397', 'SID56320805', 'Salmeterol (xinafoate)', 'SALMETEROL XINAFOATE', 'SALMETEROL XINAFOATE', 'Salmeterol xinafoate', 'SALMETEROL (XINAFOATE)', 'Salmeterol (xinafoate)', 'Salmeterol (xinafoate)'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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