| PDB CCD ID: | 302 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H14 N4 O6 |
| InChI: | InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+ |
| InChIKey: | XHDKIDMFBWLHAX-GONBZBRSSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O | | CACTVS 3.341 | OC(=O)c1ccc(cc1)C=NOCCON=CC2=CC(=O)NC(=O)N2 | | CACTVS 3.341 | OC(=O)c1ccc(cc1)\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C=NOCCON=CC2=CC(=O)NC(=O)N2)C(=O)O | | ACDLabs 10.04 | O=C2NC(\C=N\OCCO\N=C\c1ccc(C(=O)O)cc1)=CC(=O)N2 |
|
| Name: | 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID |
| ChEMBL: | CHEMBL1213412 |
| DrugBank: | DB06990 |
| ZINC: | ZINC000016052150 |
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