| PDB CCD ID: | 7AX |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C23 H17 N3 O4 |
| InChI: | InChI=1S/C23H17N3O4/c24-15-16-5-6-17-7-8-19(14-18(17)13-16)30-21-4-2-1-3-20(21)29-12-11-26-10-9-22(27)25-23(26)28/h1-10,13-14H,11-12H2,(H,25,27,28) |
| InChIKey: | KULHKTUYJZTZIY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1NC(=O)N(CCOc2ccccc2Oc3ccc4ccc(cc4c3)C#N)C=C1 | | ACDLabs 12.01 | c2c1ccc(cc1cc(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)C#N | | OpenEye OEToolkits 2.0.6 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N |
|
| Name: | 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile;
JLJ649 |
| ChEMBL: | CHEMBL3983638 |
| ZINC: | ZINC000584905080 |
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