PDB CCD ID: | 105 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C12 H12 B Cl N2 O4 |
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) |
InChIKey: | LSXNXXCBOPILJR-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O | ACDLabs 10.04 | Clc1ccccc1c2noc(c2C(=O)NCB(O)O)C | CACTVS 3.341 | Cc1onc(c2ccccc2Cl)c1C(=O)NCB(O)O |
|
Name: | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID; CLOXACILLIN DERIVATIVE |
ChEMBL: | CHEMBL324688 |