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

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ChEBI Name 4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
ChEBI ID CHEBI:107682
Stars This entity has been manually annotated by a third party.
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Formula C26H22N4O3S
Net Charge 0
Average Mass 470.545
Monoisotopic Mass 470.14126
InChI InChI=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)
InChIKey FAMKTXRFSGOAAK-UHFFFAOYSA-N
SMILES C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5
ChEBI Ontology
Outgoing 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 Xref Database
LSM-19061 LINCS
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