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| Ligand Name: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB136 |
PubChem:
90680707
|
Synonym(s):
- chembl3286879
- bdbm50516761
- q27452990
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3286879 |
| Canonical SMILES: OB(O)c1sc2ccccc2c1\C=C\C(O)=O |
| Standard InChI: InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+ |
| Molecular Formula: C11H9BO4S |
Mol. Weight: 248.03146 |
logP: 0.6789 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 77.76 |