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Ligand Download |
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| Ligand Name: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | ||
| HET ID: 82D | PubChem: 124220776 | |
| DrugBank: - | ChEMBL: CHEMBL4075197 | |
| Canonical SMILES: CN([C@H]1CN(C[C@@H]1c1cn(c2c1cccc2)C)Cc1c(F)cccc1Br)C | ||
| Standard InChI: InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1 | ||
| Molecular Formula: C22H25BrFN3 | Mol. Weight: 430.3564 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: True | logP: 4.5474 |
| HBD: 0 | HBA: 3 | TPSA: 11.41 |
| #Bonds: 32 | #Rotatable Bonds: 4 | Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.09090909 | ||