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CHEBI:133537 - FX1

ChEBI IDCHEBI:133537
ChEBI NameFX1
Stars
DefinitionA member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group.
Last Modified4 November 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC14H9ClN2O4S2
Net Charge0
Average Mass368.823
Monoisotopic Mass367.96923
SMILESO=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S
InChIInChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
InChIKeyVISHSGZPGQKEFX-KHPPLWFESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
FX1 (CHEBI:133537) has functional parent 3-methyleneoxindole (CHEBI:17920)
FX1 (CHEBI:133537) has functional parent rhodanine (CHEBI:8830)
FX1 (CHEBI:133537) has role antineoplastic agent (CHEBI:35610)
FX1 (CHEBI:133537) is a monocarboxylic acid (CHEBI:25384)
FX1 (CHEBI:133537) is a organochlorine compound (CHEBI:36683)
FX1 (CHEBI:133537) is a oxindoles (CHEBI:38459)
FX1 (CHEBI:133537) is a thiazolidinone (CHEBI:48891)
IUPAC Name 
3-[(5Z)-5-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Registry NumbersSources
Reaxys:23386351Reaxys
Citations