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Ligand Download |
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| Ligand Name: 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole | ||
| HET ID: 74S | PubChem: 138753102 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[N@+]1(CCc2ccccc2)[C@@H]2CC[C@H]1C[C@@H](C2)n1nnc(c1)Cn1c2ccccc2c2c1cccc2 | ||
| Standard InChI: InChI=1S/C31H34N5/c1-36(18-17-23-9-3-2-4-10-23)26-15-16-27(36)20-25(19-26)35-22-24(32-33-35)21-34-30-13-7-5-11-28(30)29-12-6-8-14-31(29)34/h2-14,22,25-27H,15-21H2,1H3/q+1/t25-,26-,27+,36+ | ||
| Molecular Formula: C31H34N5+ | Mol. Weight: 476.63516 | Heavy Atoms: 36 |
| Charge: 1 | Is Chiral: True | logP: 5.9483 |
| HBD: 0 | HBA: 4 | TPSA: 35.64 |
| #Bonds: 45 | #Rotatable Bonds: 6 | Shape Complexity: 0.3548387 |
| Stereocomplexity: 0.12903225 | ||