Ligand |
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| Ligand Name: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | ||
| HET ID: XME | PubChem: 9600424, 6323539 | |
| DrugBank: - | ChEMBL: CHEMBL1236827 | |
| Canonical SMILES: O/N=C/C1(CCN(CC1)c1ccncc1)CN1CCN(CC1=O)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl | ||
| Standard InChI: InChI=1S/C26H28ClN5O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)37(35,36)32-14-13-31(25(33)17-32)19-26(18-29-34)7-11-30(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,18,34H,7-8,11-14,17,19H2/b29-18+ | ||
| Molecular Formula: C26H28ClN5O4S | Mol. Weight: 542.0496 | Heavy Atoms: 37 |
| Charge: 0 | Is Chiral: False | logP: 4.4895 |
| HBD: 1 | HBA: 9 | TPSA: 114.79 |
| #Bonds: 41 | #Rotatable Bonds: 6 | Shape Complexity: 0.34615386 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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