| PDB CCD ID: | XEK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H19 Cl2 F N4 O4 |
| InChI: | InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38) |
| InChIKey: | KIJKUSPNZALBLD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c5cccnc5 | | ACDLabs 12.01 | O=C1NC(=O)N(C)C=C1C=1C=C(c2cc(OCc3ccccc3Cl)c(F)c(Cl)c2)C(=O)N(C=1)c1cccnc1 | | OpenEye OEToolkits 2.0.7 | CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)c3cc(c(c(c3)Cl)F)OCc4ccccc4Cl)c5cccnc5 |
|
| Name: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione |
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