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| Ligand Name: Pinacol 5-Diformylaminomethylbenzo[b]thiophen-2-ylboronate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1441 |
PubChem:
23655305
|
Synonym(s):
- chembl235073
- {5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid
- 2i72
- bdbm50225378
- q27467002
- {5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid
- 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL235073 |
| Canonical SMILES: OB(O)c(s1)cc(c12)cc(cc2)CN(C=O)C=O |
| Standard InChI: InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2 |
| Molecular Formula: C11H10BNO4S |
Mol. Weight: 263.04236 |
logP: -0.3041 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 77.84 |