EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:107682 - 4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

ChEBI IDCHEBI:107682
ChEBI Name4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Stars
DownloadsMolfile
FormulaC26H22N4O3S
Net Charge0
Average Mass470.554
Monoisotopic Mass470.14126
SMILESO=C(O)CCC(=O)N1N=C(c2cccs2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H22N4O3S/c31-24(13-14-25(32)33)30-22(16-21(27-30)23-12-7-15-34-23)20-17-29(19-10-5-2-6-11-19)28-26(20)18-8-3-1-4-9-18/h1-12,15,17,22H,13-14,16H2,(H,32,33)
InChIKeyFAMKTXRFSGOAAK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (CHEBI:107682) is a pyrazoles (CHEBI:26410)
4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (CHEBI:107682) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-19061LINCS