PDB CCD ID: | RL9 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C17 H13 F N2 O3 |
InChI: | InChI=1S/C17H13FN2O3/c18-14-3-1-12(17(22)23)8-13(14)9-20-16(21)11-2-4-15-10(7-11)5-6-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23) |
InChIKey: | JKFYNJOLPXQHQS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | OC(=O)c1ccc(F)c(CNC(=O)c2ccc3[nH]ccc3c2)c1 | ACDLabs 12.01 | O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c(F)cc1 | OpenEye OEToolkits 2.0.7 | c1cc2c(cc[nH]2)cc1C(=O)NCc3cc(ccc3F)C(=O)O |
|
Name: | 4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid |