Ligand |
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| Ligand Name: 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile | ||
| HET ID: B6T | PubChem: 133054007 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#Cc1cnc2n1nc(c1ccccc1)c(c2O)C(C)C | ||
| Standard InChI: InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-20-12(8-17)9-18-16(20)15(13)21/h3-7,9-10,21H,1-2H3 | ||
| Molecular Formula: C16H14N4O | Mol. Weight: 278.30856 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: False | logP: 3.09698 |
| HBD: 1 | HBA: 5 | TPSA: 74.21 |
| #Bonds: 23 | #Rotatable Bonds: 2 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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