| PDB CCD ID: | M9A |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C23 H16 F N3 O4 |
| InChI: | InChI=1S/C23H16FN3O4/c24-17-12-16-11-15(14-25)5-6-18(16)21(13-17)31-20-4-2-1-3-19(20)30-10-9-27-8-7-22(28)26-23(27)29/h1-8,11-13H,9-10H2,(H,26,28,29) |
| InChIKey: | CZZSYVLCOGCXLL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Fc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c4ccc(cc4c1)C#N | | ACDLabs 12.01 | c4(C#N)ccc1c(cc(cc1Oc3ccccc3OCCN2C=CC(NC2=O)=O)F)c4 | | OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F |
|
| Name: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile |
| ChEMBL: | CHEMBL3342990 |
| ZINC: | ZINC000299820856 |
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