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| Ligand Name: N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB54 |
PubChem:
2815
|
Synonym(s):
- chembl324688
- cloxacillin derivative
- acylglycineboronic acid, 9
- bdbm50115620
- q27451578
- n-(dihydroxyborylmethyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide
- [({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid
- 3-(2-chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole-4-carboxylic acid dihydroxyboranylmethyl-amide
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL324688 |
| Canonical SMILES: OB(O)CNC(=O)c1c(C)onc1-c2ccccc2Cl |
| Standard InChI: InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) |
| Molecular Formula: C12H12BClN2O4 |
Mol. Weight: 294.05786 |
logP: 1.04522 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 95.59 |