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Ligand Download |
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| Ligand Name: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | ||
| HET ID: 82G | PubChem: 123132216 | |
| DrugBank: - | ChEMBL: CHEMBL4080018 | |
| Canonical SMILES: CN([C@H]1CN(C[C@@H]1c1cn(c2c1cccc2)C)[C@H]1CCc2c1c(F)ccc2)C | ||
| Standard InChI: InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 | ||
| Molecular Formula: C24H28FN3 | Mol. Weight: 377.49762 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: True | logP: 4.2722 |
| HBD: 0 | HBA: 3 | TPSA: 11.41 |
| #Bonds: 35 | #Rotatable Bonds: 3 | Shape Complexity: 0.41666666 |
| Stereocomplexity: 0.16666667 | ||