| PDB CCD ID: | 6UY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H15 F N4 O3 |
| InChI: | InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1 |
| InChIKey: | PCBMXBZZXJYVCE-MRXNPFEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N | | CACTVS 3.385 | Nc1nccnc1C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c3ccccc3 | | OpenEye OEToolkits 2.0.5 | c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N | | CACTVS 3.385 | Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3 |
|
| Name: | [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate |
| ChEMBL: | CHEMBL4440337 |
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