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CHEBI:756959 - np-g2-044

Default Structure
ChEBI IDCHEBI:756959
ChEBI Namenp-g2-044
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H16F3N3O2
Net Charge0
Average Mass399.372
Monoisotopic Mass399.11946
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKeyXLLRLAABUFOJPC-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
np-g2-044 (CHEBI:756959) has role antineoplastic agent (CHEBI:35610)
np-g2-044 (CHEBI:756959) is a (trifluoromethyl)benzenes (CHEBI:83565)
Synonym  Source
NP-G2-044ChEMBL