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| Ligand Name: DIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1497 |
PubChem:
66561495
|
Synonym(s):
- chembl2035292
- (2-nitrobenzamido)methylboronic acid
- 1313392-69-6
- 2y2i
- 2y59
- bdbm50385268
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL2035292 |
| Canonical SMILES: OB(O)CNC(=O)c1ccccc1[N+]([O-])=O |
| Standard InChI: InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12) |
| Molecular Formula: C8H9BN2O5 |
Mol. Weight: 224.06046 |
logP: -0.6634 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 112.7 |