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Ligand Name: PHENYLACETAMIDOMETHYL BORONIC ACID |
Ligand Type: non-polymer |
Ligand ID: COVPDB808 |
PubChem:
9920615
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Synonym(s):
- (2-phenylacetamido)methylboronic acid
- 114640-50-5
- acylglycineboronic acid, 6
- chembl1275918
- schembl14873552
- bdbm39809
- q27460379
show 6 synonym(s)
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DrugBank: - |
ChEMBL: CHEMBL1275918 |
Canonical SMILES: OB(O)CNC(=O)Cc1ccccc1 |
Standard InChI: InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) |
Molecular Formula: C9H12BNO3 |
Mol. Weight: 193.09102 |
logP: -0.6427 |
HBD: 3 | HBA: 3 |
#Rotatable Bonds: 4 | TPSA: 69.56 |