Ligand |
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| Ligand Name: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide | ||
| HET ID: FJU | PubChem: 150819982 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCc1cccc(c1)NC(=O)c1cc2cccc(c2oc1=N)O | ||
| Standard InChI: InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22) | ||
| Molecular Formula: C18H16N2O3 | Mol. Weight: 308.33124 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 3.6053 |
| HBD: 3 | HBA: 5 | TPSA: 86.32 |
| #Bonds: 25 | #Rotatable Bonds: 4 | Shape Complexity: 0.11111111 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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