| BioID | bio2230 |
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| Name | ROXATIDINE ACETATE HYDROCHLORIDE |
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| ChEMBL ID | CHEMBL2104871 |
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| Molecular Formula | C19H29ClN2O4 |
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| Molecular Weight | 384.9 |
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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 | ALTAT|HOE 062 [ROXATIDINE]|HOE 760|HOE-760|NSC-760384|PIFATIDINE HYDROCHLORIDE|ROXATIDINE ACETATE HCL|ROXATIDINE ACETATE HYDROCHLORIDE|TZU-0460 |
|---|
| Smiles | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl |
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| Inchi | InChI=1S/C19H28N2O4.ClH/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);1H |
|---|
| Inchi Key | FEWCTJHCXOHWNL-UHFFFAOYSA-N |
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| Molecular Species | BASE |
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| Targets | 11.0 |
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| Bioactivities | 19.0 |
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| Np Likeness Score | -1.29 |
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| Records Key | ['SID144206053', 'SID144206507', 'ROXATIDINE ACETATE HYDROCHLORIDE', 'SID170465941', 'SID49681593', 'Roxatidine acetate hydrochloride', 'ROXATIDINE (ACETATE HYDROCHLORIDE)', 'Roxatidine (Acetate Hydrochloride)', 'Roxatidine (Acetate Hydrochloride)', 'SAM001246547'] |
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| Records Name | ['SID144206053', 'SID144206507', 'ROXATIDINE ACETATE HYDROCHLORIDE', 'SID170465941', 'SID49681593', 'Roxatidine acetate hydrochloride', 'ROXATIDINE (ACETATE HYDROCHLORIDE)', 'Roxatidine (Acetate Hydrochloride)', 'Roxatidine (Acetate Hydrochloride)', 'C0164931'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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