| PDB CCD ID: | BNU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H18 Br N3 O3 |
| InChI: | InChI=1S/C16H18BrN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23) |
| InChIKey: | DAPHRWWQHCSXBW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)CC | | CACTVS 3.370 | CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3CCNCC3 | | OpenEye OEToolkits 1.7.6 | CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O |
|
| Name: | 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid |
| ChEMBL: | CHEMBL1193910 |
| ZINC: | ZINC000028765646 |
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