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CHEBI:760543 - jnj-64413739

Default Structure
ChEBI IDCHEBI:760543
ChEBI Namejnj-64413739
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H14F4N6O
Net Charge0
Average Mass406.343
Monoisotopic Mass406.11652
SMILESC[C@H]1Cc2c(ncn2-c2ncccn2)CN1C(=O)c1ccnc(C(F)(F)F)c1F
InChIInChI=1S/C18H14F4N6O/c1-10-7-13-12(26-9-28(13)17-24-4-2-5-25-17)8-27(10)16(29)11-3-6-23-15(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3/t10-/m0/s1
InChIKeySCOIVZGSRYMPAQ-JTQLQIEISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
jnj-64413739 (CHEBI:760543) is a aromatic carboxylic acid (CHEBI:33859)
jnj-64413739 (CHEBI:760543) is a pyridinemonocarboxylic acid (CHEBI:26420)