Laudanidine
Representations & DB's id
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| ChEBI: | CHEBI:76101 | |
|---|---|---|
| ChEMBL: | CHEMBL251625 | |
| PubChem: | 821396 | |
| IUPAC: | 5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1 | |
| Standard InChI Key: | MPYHGNAJOKCMAQ-INIZCTEOSA-N | |
| SMILES: | COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(OC)c(c2)OC | |
Molecular propeties
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| AlogP: | 3.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 343.18 | |
| Topological polar surface area: | 51.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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