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Ligand Download |
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| Ligand Name: (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline | ||
| HET ID: LQE | PubChem: 137349702 | |
| DrugBank: - | ChEMBL: CHEMBL4097892 | |
| Canonical SMILES: COc1cccc(c1)C[C@@H]1CN(C)[C@@H]2[C@@H](C1)Cc1c(C2)cccc1OC | ||
| Standard InChI: InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1 | ||
| Molecular Formula: C23H29NO2 | Mol. Weight: 351.48187 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: True | logP: 3.9195 |
| HBD: 0 | HBA: 3 | TPSA: 21.7 |
| #Bonds: 32 | #Rotatable Bonds: 4 | Shape Complexity: 0.47826087 |
| Stereocomplexity: 0.13043478 | ||