Ligand |
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| Ligand Name: Resminostat | ||
| HET ID: P7D | PubChem: 11609955 | |
| DrugBank: DB12392 | ChEMBL: CHEMBL4296717 | |
| Canonical SMILES: ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C | ||
| Standard InChI: InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ | ||
| Molecular Formula: C16H19N3O4S | Mol. Weight: 349.40475 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 2.777 |
| HBD: 2 | HBA: 7 | TPSA: 100.02 |
| #Bonds: 25 | #Rotatable Bonds: 7 | Shape Complexity: 0.1875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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