Ligand |
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| Ligand Name: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | ||
| HET ID: XMI | PubChem: 446344 | |
| DrugBank: - | ChEMBL: CHEMBL1236831 | |
| Canonical SMILES: Clc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCN(C(=O)C1)CC1CCN(CC1)c1ccncc1 | ||
| Standard InChI: InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-16-24(4-2-20(21)15-22)34(32,33)30-14-13-29(25(31)18-30)17-19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,15-16,19H,7-8,11-14,17-18H2 | ||
| 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 | Ligand Type: Small Molecule | |
Binding Affinity |
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