PDB CCD ID: | 3DL |
Number of entries in BioLiP: | 1 |
Chemical formula: | C17 H12 N2 O3 |
InChI: | InChI=1S/C17H12N2O3/c20-14-3-1-2-13(8-14)16-10-18-9-15(19-16)11-4-6-12(7-5-11)17(21)22/h1-10,20H,(H,21,22) |
InChIKey: | RUXBJTDGOHITBG-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(O)c3ccc(c2nc(c1cc(O)ccc1)cnc2)cc3 | CACTVS 3.385 | Oc1cccc(c1)c2cncc(n2)c3ccc(cc3)C(O)=O | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O |
|
Name: | 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid |
ChEMBL: | CHEMBL3359881 |
ZINC: | ZINC000219974676 |