Ligand |
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| Ligand Name: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | ||
| HET ID: XMF | PubChem: 5289586 | |
| DrugBank: - | ChEMBL: CHEMBL1236828 | |
| Canonical SMILES: OCC1(CCN(CC1)c1ccncc1)CN1CCN(CC1=O)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl | ||
| Standard InChI: InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(33)17-31)18-26(19-32)7-11-29(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,32H,7-8,11-14,17-19H2 | ||
| Molecular Formula: C26H29ClN4O4S | Mol. Weight: 529.05084 | Heavy Atoms: 36 |
| Charge: 0 | Is Chiral: False | logP: 4.0218 |
| HBD: 1 | HBA: 8 | TPSA: 102.43 |
| #Bonds: 40 | #Rotatable Bonds: 6 | Shape Complexity: 0.3846154 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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