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Ligand Download |
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| Ligand Name: [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE | ||
| HET ID: ZEN | PubChem: 446399 | |
| DrugBank: DB01836 | ChEMBL: CHEMBL270527 | |
| Canonical SMILES: Clc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1 | ||
| Standard InChI: InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2 | ||
| Molecular Formula: C25H27ClN4O3S | Mol. Weight: 499.02487 | Heavy Atoms: 34 |
| Charge: 0 | Is Chiral: False | logP: 4.6593 |
| HBD: 0 | HBA: 7 | TPSA: 82.2 |
| #Bonds: 38 | #Rotatable Bonds: 5 | Shape Complexity: 0.36 |
| Stereocomplexity: 0.0 | ||