| BioID | bio2054 |
|---|
| Name | BETACETYLMETHADOL |
|---|
| ChEMBL ID | CHEMBL2105619 |
|---|
| Molecular Formula | C23H31NO2 |
|---|
| Molecular Weight | 353.51 |
|---|
| Molecular Weight (Monoisotopic) | 353.2355 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACSCN-9607|BETACETILMETADOL|BETACETYLMETHADOL|IDS-NB-003 |
|---|
| Smiles | CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1 |
|---|
| Inchi Key | XBMIVRRWGCYBTQ-GCJKJVERSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.13 |
|---|
| Records Key | ['BETACETYLMETHADOL', '(-)-alpha-(3S,6R)-acetyl-methadol', 'COVC-3360213325'] |
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| Records Name | ['BETACETYLMETHADOL', 'Acetic acid 4-dimethylamino-1-ethyl-2,2-diphenyl-pentyl ester', 'BETACETYLMETHADOL'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
