CHEBI:94244 - 2-[4-oxo-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-oxo-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
ChEBI ID CHEBI:94244
Stars This entity has been manually annotated by a third party.
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Formula C26H26N4O6S4
Net Charge 0
Average Mass 618.773
Monoisotopic Mass 618.07352
InChI InChI=1S/C26H26N4O6S4/c31-25-23(38-26(37)29(25)15-16-39(32,33)34)17-20-18-30(21-7-3-1-4-8-21)27-24(20)19-9-11-22(12-10-19)40(35,36)28-13-5-2-6-14-28/h1,3-4,7-12,17-18H,2,5-6,13-16H2,(H,32,33,34)
InChIKey CULPOYNTOOOYIX-UHFFFAOYSA-N
SMILES C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O)C5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[4-oxo-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:94244) is a pyrazoles (CHEBI:26410)
2-[4-oxo-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:94244) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-4867 LINCS
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