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Ligand Download |
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| Ligand Name: 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | ||
| HET ID: D01 | PubChem: 9547923 | |
| DrugBank: DB07605 | ChEMBL: CHEMBL1232037 | |
| Canonical SMILES: Clc1ccc2c(c1)cc([nH]2)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)[n+]([O-])ccc2 | ||
| Standard InChI: InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2 | ||
| Molecular Formula: C20H17ClN4O4S2 | Mol. Weight: 476.9564 | Heavy Atoms: 31 |
| Charge: 0 | Is Chiral: False | logP: 4.5678 |
| HBD: 1 | HBA: 7 | TPSA: 135.56 |
| #Bonds: 36 | #Rotatable Bonds: 4 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | ||