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| Ligand Name: 3-(dihydroxyboranyl)-5-acetamidobenzoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1494 |
PubChem:
44119344
|
Synonym(s):
- 3-acetamido-5-boronobenzoic acid
- 108749-15-1
- 3-acetamido-5-carboxybenzeneboronic acid
- c9h10bno5
- chembl574842
- schembl3450025
- dtxsid40657153
- acmc-209916
- act11002
- anw-15976
- mfcd08436066
- akos015837740
- zinc169743993
- bc001324
- 3-acetamido-5-(dihydroxyboryl)benzoic acid
- ft-0687832
- x1614
- a-3608
- (3-acetamido-5-carboxy)phenylboronic acid, aldrichcpr
show 18 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL574842 |
| Canonical SMILES: CC(=O)Nc1cc(cc(c1)C(O)=O)B(O)O |
| Standard InChI: InChI=1S/C9H10BNO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4,15-16H,1H3,(H,11,12)(H,13,14) |
| Molecular Formula: C9H10BNO5 |
Mol. Weight: 223.0652 |
logP: -0.977 |
| HBD: 4 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 106.86 |