CHEBI:133537 - FX1

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ChEBI Name FX1 ChEBI ID CHEBI:133537 Definition A member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H9ClN2O4S2 Net Charge 0 Average Mass 368.818 Monoisotopic Mass 367.96923 InChI InChI=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- InChIKey VISHSGZPGQKEFX-KHPPLWFESA-N SMILES O=C/1NC=2C(\C1=C/3\SC(N(C3=O)CCC(=O)O)=S)=CC(=CC2)Cl Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Number Type Source 23386351 Reaxys Registry Number Reaxys Citations Types Sources 27482887 PubMed citation SUBMITTER 27505670 PubMed citation SUBMITTER Last Modified 04 November 2016