| BioID | bio81008 |
|---|
| Name | CINACIGUAT |
|---|
| ChEMBL ID | CHEMBL1236936 |
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| Molecular Formula | C36H39NO5 |
|---|
| Molecular Weight | 565.71 |
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| Molecular Weight (Monoisotopic) | 565.2828 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar60 |
|---|
| Target Name | None |
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| Synonyms | BAY 58-2667|CINACIGUAT|Cinaciguat |
|---|
| Smiles | O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 |
|---|
| Inchi | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) |
|---|
| Inchi Key | WPYWMXNXEZFMAK-UHFFFAOYSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 37.0 |
|---|
| Np Likeness Score | -0.46 |
|---|
| Records Key | ['Cinaciguat', '1, BAY 58-2667', 'CINACIGUAT', 'Cinaciguat', 'CINACIGUAT', 'Bay 58-2667', '1', 'Cinaciguat', 'EUB0001686a', 'EUB0001686a'] |
|---|
| Records Name | ['Cinaciguat', 'Cinaciguat', 'CINACIGUAT', 'Cinaciguat', 'CINACIGUAT', '4-(((4-carboxybutyl)(2-(4-phenethylbenzyloxy)phenethyl)amino)methyl)benzoic acid', 'Cinaciguat', 'Cinaciguat', 'Cinaciguat', 'Cinaciguat'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
