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CHEBI:748449 - nrx195183

Default Structure
ChEBI IDCHEBI:748449
ChEBI Namenrx195183
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H22ClF2NO4
Net Charge0
Average Mass437.870
Monoisotopic Mass437.12054
SMILESCC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl
InChIInChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
InChIKeyPNAWUIKCVQSLFG-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nrx195183 (CHEBI:748449) has role antineoplastic agent (CHEBI:35610)
nrx195183 (CHEBI:748449) is a aromatic amide (CHEBI:62733)
Synonyms  Source
AGN 195183ChEMBL
AGN-195183ChEMBL
Irx-5183ChEMBL
IRX5183ChEMBL
NRX-195183ChEMBL
NRX195183ChEMBL
Citations