EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:115596 - 5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
| Formula | C28H26N4O4S |
| Net Charge | 0 |
| Average Mass | 514.607 |
| Monoisotopic Mass | 514.16748 |
| SMILES | COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1 |
| InChI | InChI=1S/C28H26N4O4S/c1-36-21-14-12-19(13-15-21)28-22(18-31(30-28)20-7-3-2-4-8-20)24-17-23(25-9-6-16-37-25)29-32(24)26(33)10-5-11-27(34)35/h2-4,6-9,12-16,18,24H,5,10-11,17H2,1H3,(H,34,35) |
| InChIKey | BLGRDCIMLYXWFQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (CHEBI:115596) is a pyrazoles (CHEBI:26410) |
| 5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (CHEBI:115596) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27053 | LINCS |