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Ligand Download |
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| Ligand Name: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | ||
| HET ID: LQD | PubChem: 124037093 | |
| DrugBank: - | ChEMBL: CHEMBL4074159 | |
| Canonical SMILES: COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(c2c1cccc2)C)N(C)C | ||
| Standard InChI: InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 | ||
| Molecular Formula: C23H29N3O | Mol. Weight: 363.49585 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: True | logP: 3.6544 |
| HBD: 0 | HBA: 4 | TPSA: 20.64 |
| #Bonds: 32 | #Rotatable Bonds: 5 | Shape Complexity: 0.39130434 |
| Stereocomplexity: 0.08695652 | ||