PDB CCD ID: | 3KE |
Number of entries in BioLiP: | 2 |
Chemical formula: | C24 H21 N5 O4 |
InChI: | InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32) |
InChIKey: | VUTBCSIBPMXNCZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 11.02 | O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4 | CACTVS 3.352 | COc1ccc(Cn2nnc(n2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(O)=O)cc1 | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O |
|
Name: | 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid; 4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid |
ChEMBL: | CHEMBL603623 |
ZINC: | ZINC000045386357 |