Ligand |
||
 | ||
| Ligand Name: (R)-2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB926 | PubChem: 134828063 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(C)C\C=C\C(=O)Nc1cccc(c1)[C@@H](OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1 | ||
| Standard InChI: InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1 | ||
| Molecular Formula: C28H34N4O4S | Mol. Weight: 522.2301 | logP: 4.6427 |
| HBD: 2 | HBA: 7 | |
| #Rotatable Bonds: 11 | TPSA: 95.0 | |