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| Ligand Name: [(1S)-1-[(2,6-difluorophenyl)formamido]ethyl]boronic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB762 |
PubChem:
53322678
|
Synonym(s):
- chembl1672823
- bdbm50337095
- (s)-1-(2,6-difluorobenzamido)ethaneboronic acid
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1672823 |
| Canonical SMILES: OB(O)[C@@H](C)NC(=O)c1c(F)cccc1F |
| Standard InChI: InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1 |
| Molecular Formula: C9H10BF2NO3 |
Mol. Weight: 229.07217 |
logP: 0.0951 |
| HBD: 3 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 69.56 |