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| Ligand Name: 2-CHLOROBENZAMIDOMETHYLBORONIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1496 |
PubChem:
70683815
|
Synonym(s):
- chembl2035289
- {[(2-chlorobenzoyl)amino]methyl}boronic acid
- (2-chlorobenzamido)methylboronic acid
- 1313392-67-4
- 2y2h
- 2y4a
- bdbm50385263
- q27458403
show 7 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL2035289 |
| Canonical SMILES: OB(O)CNC(=O)c1c(Cl)cccc1 |
| Standard InChI: InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12) |
| Molecular Formula: C8H9BClNO3 |
Mol. Weight: 213.0364 |
logP: 0.0818 |
| HBD: 3 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 69.56 |