(+)-Phenazocine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL94350 | |
| PubChem: | 3048356 | |
| IUPAC: | (1S,9S,13S)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol | |
| Standard InChI: | InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m1/s1 | |
| Standard InChI Key: | ZQHYKVKNPWDQSL-XGRCMKMKSA-N | |
| SMILES: | Oc1ccc2c(c1)[C@@]1(C)CCN([C@@H](C2)[C@H]1C)CCc1ccccc1 | |
Molecular propeties
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| AlogP: | 4.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 321.21 | |
| Topological polar surface area: | 23.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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