Ligand |
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| Ligand Name: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB866 | PubChem: 118038535 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4241920 | |
| Canonical SMILES: C=CC(=O)N[C@H]1CCN(C1)c2ccc(C(=O)N)c(n2)Oc3ccc(cc3)Oc4ccccc4 | ||
| Standard InChI: InChI=1S/C25H24N4O4/c1-2-23(30)27-17-14-15-29(16-17)22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,30)/t17-/m0/s1 | ||
| Molecular Formula: C25H24N4O4 | Mol. Weight: 444.17975 | logP: 3.646 |
| HBD: 2 | HBA: 6 | |
| #Rotatable Bonds: 8 | TPSA: 106.78 | |