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| Ligand Name: [(1S)-1-{[2-(propan-2-yl)phenyl]formamido}ethyl]boronic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB732 |
PubChem:
53320256
|
Synonym(s):
- chembl1672905
- bdbm50337097
- (s)-1-(2-(propan-2-yl)benzamido)ethaneboronic acid
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1672905 |
| Canonical SMILES: OB(O)[C@@H](C)NC(=O)c1ccccc1C(C)C |
| Standard InChI: InChI=1S/C12H18BNO3/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16)17/h4-9,16-17H,1-3H3,(H,14,15)/t9-/m1/s1 |
| Molecular Formula: C12H18BNO3 |
Mol. Weight: 235.13797 |
logP: 0.9403 |
| HBD: 3 | HBA: 3 |
| #Rotatable Bonds: 4 | TPSA: 69.56 |