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Ligand Download |
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| Ligand Name: R-ethopropazine | ||
| HET ID: BUW | PubChem: 688098 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCN([C@@H](CN1c2ccccc2Sc2c1cccc2)C)CC | ||
| Standard InChI: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1 | ||
| Molecular Formula: C19H24N2S | Mol. Weight: 312.47226 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: True | logP: 5.0846 |
| HBD: 0 | HBA: 2 | TPSA: 31.78 |
| #Bonds: 25 | #Rotatable Bonds: 5 | Shape Complexity: 0.36842105 |
| Stereocomplexity: 0.05263158 | ||