| PDB CCD ID: | QRO |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H10 F2 N2 O4 |
| InChI: | InChI=1S/C13H10F2N2O4/c14-8-4-2-6(5-9(8)15)1-3-7-10(12(19)20)16-13(21)17-11(7)18/h2,4-5H,1,3H2,(H,19,20)(H2,16,17,18,21) |
| InChIKey: | KTXYBNZQKHWXBC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | OC(=O)C1=C(CCc2ccc(F)c(F)c2)C(=O)NC(=O)N1 | | OpenEye OEToolkits 1.7.6 | c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(F)c(F)c2 |
|
| Name: | 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3991402 |
| ZINC: | ZINC000095920675 |
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