| PDB CCD ID: | 29T |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C21 H16 N4 O4 |
| InChI: | InChI=1S/C21H16N4O4/c22-13-15-12-16-17(6-3-8-25(16)14-15)29-19-5-2-1-4-18(19)28-11-10-24-9-7-20(26)23-21(24)27/h1-9,12,14H,10-11H2,(H,23,26,27) |
| InChIKey: | UUVBMMWJHPNLHN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1NC(=O)N(CCOc2ccccc2Oc3cccn4cc(cc34)C#N)C=C1 | | OpenEye OEToolkits 1.7.6 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N | | ACDLabs 12.01 | N#Cc4cc3n(cccc3Oc2ccccc2OCCN1C=CC(=O)NC1=O)c4 |
|
| Name: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile |
| ChEMBL: | CHEMBL3342974 |
| ZINC: | ZINC000095920816 |
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