| PDB CCD ID: | 5ZJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 Cl F3 N4 O3 |
| InChI: | InChI=1S/C16H14ClF3N4O3/c17-11-7-9(1-2-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27) |
| InChIKey: | RILFZGUYWVKTMS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | FC(F)(F)c1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F | | ACDLabs 12.01 | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(c(Cl)c1)C(F)(F)F |
|
| Name: | 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione |
| ChEMBL: | CHEMBL5070819 |
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