| PDB CCD ID: | 6FQ |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C19 H10 N8 O2 |
| InChI: | InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26) |
| InChIKey: | NDVGJTJBERLSGL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 | | CACTVS 3.385 | O=C1NC(=O)C2=Cc3ccc(cc3N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N | | ACDLabs 12.01 | N2C(N=C1N(c3cc(C#N)ccc3C=C1C2=O)c5cc(c4nnnn4)ccc5)=O |
|
| Name: | 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile |
| ChEMBL: | CHEMBL2420480 |
| ZINC: | ZINC000096282687 |
zhanggroup.org