EMBL-EBI | Chemical Biology Resources | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:755557 - jnj-39393406

Default Structure
ChEBI IDCHEBI:755557
ChEBI Namejnj-39393406
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC19H18F2N6O3
Net Charge0
Average Mass416.388
Monoisotopic Mass416.14084
SMILESCN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1
InChIInChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)
InChIKeyIURMHZBQEYNQOH-UHFFFAOYSA-N
Roles Classification
Applications:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
jnj-39393406 (CHEBI:755557) has role antidepressant (CHEBI:35469)
jnj-39393406 (CHEBI:755557) has role antipsychotic agent (CHEBI:35476)
jnj-39393406 (CHEBI:755557) is a benzodioxoles (CHEBI:38298)
Synonym  Source
Jnj-39393406ChEMBL