| BioID | bio2560 |
|---|
| Name | ROXATIDINE ACETATE |
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| ChEMBL ID | CHEMBL46102 |
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| Molecular Formula | C19H28N2O4 |
|---|
| Molecular Weight | 348.44 |
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| Molecular Weight (Monoisotopic) | 348.2049 |
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| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | PIFATIDINE|ROXATIDINE ACETATE |
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| Smiles | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 |
|---|
| Inchi | InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23) |
|---|
| Inchi Key | SMTZFNFIKUPEJC-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 99.0 |
|---|
| Bioactivities | 218.0 |
|---|
| Np Likeness Score | -1.29 |
|---|
| Records Key | ['Roxatidine acetate', '7', 'Roxatidine acetate', 'ROXATIDINE', 'ROXATIDINE ACETATE', 'roxatidine acetate', 'ROXATIDINE ACETATE', 'Roxatidine (Acetate Hydrochloride)', 'ROXATIDINE ACETATE', 'roxatidine acetate', 'BA1001017'] |
|---|
| Records Name | ['Acetic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl ester', 'Acetic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl ester', 'Acetic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl ester', 'ROXATIDINE', 'ROXATIDINE ACETATE', 'Acetic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl ester', 'ROXATIDINE ACETATE', 'Roxatidine (Acetate Hydrochloride)', 'ROXATIDINE ACETATE', 'roxatidine acetate', 'ROXATIDINE ACETATE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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