Ligand |
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| Ligand Name: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide | ||
| HET ID: FJR | PubChem: 19573880 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1ccc(cc1)NC(=O)c1cc2cccc(c2oc1=N)O | ||
| Standard InChI: InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21) | ||
| Molecular Formula: C17H14N2O3 | Mol. Weight: 294.30466 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 3.3513 |
| HBD: 3 | HBA: 5 | TPSA: 86.32 |
| #Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.05882353 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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