CHEBI:133537 - FX1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name FX1
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A member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group.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
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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-
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.
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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)
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 Waiting for Citations Types Sources
27482887 PubMed citation SUBMITTER
27505670 PubMed citation SUBMITTER
Last Modified
04 November 2016