| PDB CCD ID: | KHU |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C21 H16 F N5 O2 |
| InChI: | InChI=1S/C21H16FN5O2/c1-14(28)24-15-5-4-6-16(13-15)26-12-10-20(29)21(25-26)19-9-11-23-27(19)18-8-3-2-7-17(18)22/h2-13H,1H3,(H,24,28) |
| InChIKey: | UROQMGYHXBJWAK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CC(=O)Nc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F | CACTVS 3.385
OpenEye OEToolkits 2.0.7 | CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F |
|
| Name: | N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide |
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