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| Ligand Name: 4-(dihydroxyboranylmethylsulfamoylmethyl)benzoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB581 |
PubChem:
49837191
|
Synonym(s):
- 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
- chembl1231477
- [(4-carboxyphenyl)methanesulfonylamino]methaneboronic acid
- schembl14861681
- bdbm50330785
- 4-(boronomethylsulfamoylmethyl)benzoic acid
- q27458535
show 6 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1231477 |
| Canonical SMILES: OB(O)CNS(=O)(=O)Cc1ccc(cc1)C(O)=O |
| Standard InChI: InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13) |
| Molecular Formula: C9H12BNO6S |
Mol. Weight: 273.04785 |
logP: -1.1838 |
| HBD: 4 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 123.93 |