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CHEBI:748414 - carboxyamidotriazole

Default Structure
ChEBI IDCHEBI:748414
ChEBI Namecarboxyamidotriazole
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC17H12Cl3N5O2
Net Charge0
Average Mass424.675
Monoisotopic Mass423.00566
SMILESNC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
InChIInChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
InChIKeyWNRZHQBJSXRYJK-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
carboxyamidotriazole (CHEBI:748414) has role antineoplastic agent (CHEBI:35610)
carboxyamidotriazole (CHEBI:748414) is a benzophenones (CHEBI:22726)
Synonyms  Source
CarboxyamidotriazoleChEMBL
L 651582ChEMBL
NSC-609974ChEMBL
Citations