Ligand |
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| Ligand Name: N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1463 | PubChem: 134457621 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4102146 | |
| Canonical SMILES: COc1cc(OC)c(Cl)c(c1Cl)COc2cnc(nc2)Nc3c(NC(=O)C=C)cccc3F | ||
| Standard InChI: InChI=1S/C22H19Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h4-10H,1,11H2,2-3H3,(H,28,30)(H,26,27,29) | ||
| Molecular Formula: C22H19Cl2FN4O4 | Mol. Weight: 492.07675 | logP: 5.3868 |
| HBD: 2 | HBA: 7 | |
| #Rotatable Bonds: 9 | TPSA: 94.6 | |