| PDB CCD ID: | G1W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C26 H22 F N O6 S |
| InChI: | InChI=1S/C26H22FNO6S/c1-34-26(31)24-22(15-17-7-10-20(11-8-17)35(32,33)14-13-29)25(30)21-12-9-18(27)16-23(21)28(24)19-5-3-2-4-6-19/h2-12,16,29H,13-15H2,1H3 |
| InChIKey: | RWVFVOHUWIBKDI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COC(=O)C1=C(Cc2ccc(cc2)[S](=O)(=O)CCO)C(=O)c3ccc(F)cc3N1c4ccccc4 | | ACDLabs 12.01 | O=S(=O)(c1ccc(cc1)CC=3C(=O)c2c(cc(F)cc2)N(C=3C(=O)OC)c4ccccc4)CCO | | OpenEye OEToolkits 1.7.6 | COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO |
|
| Name: | methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate |
| ChEMBL: | CHEMBL2204111 |
| ZINC: | ZINC000095557905 |
