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| Ligand Name: [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1137 |
PubChem:
5288987
|
Synonym(s):
- acylglycineboronic acid, 10
- schembl4327723
- chembl1234635
- bdbm39812
- db02841
- q27093802
- n-(dihydroxyborylmethyl)-2-ethoxynaphthalene-1-carboxamide
- ({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid
show 7 synonym(s)
|
| DrugBank: DB02841 |
ChEMBL: CHEMBL1234635 |
| Canonical SMILES: OB(O)CNC(=O)c(c(cc1)OCC)c(c12)cccc2 |
| Standard InChI: InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17) |
| Molecular Formula: C14H16BNO4 |
Mol. Weight: 273.11725 |
logP: 0.9803 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 5 | TPSA: 78.79 |