| PDB CCD ID: | 7AY |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H18 Cl N3 O4 |
| InChI: | InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30) |
| InChIKey: | KFUNYNPQHKSQRQ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl | | CACTVS 3.385 | Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(Cl)c4ccc(cc14)C#N | | OpenEye OEToolkits 2.0.6 | Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N |
|
| Name: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile;
JLJ651 |
| ChEMBL: | CHEMBL3937452 |
| ZINC: | ZINC000584905077 |
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