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

ChEBI IDCHEBI:94244
ChEBI Name2-[4-oxo-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
Stars
DownloadsMolfile
FormulaC26H26N4O6S4
Net Charge0
Average Mass618.784
Monoisotopic Mass618.07352
SMILESO=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)O
InChIInChI=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)
InChIKeyCULPOYNTOOOYIX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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LSM-4867LINCS