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CHEBI:758819 - ninerafaxstat

Default Structure
ChEBI IDCHEBI:758819
ChEBI Nameninerafaxstat
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H29N3O5
Net Charge0
Average Mass415.490
Monoisotopic Mass415.21072
SMILESCOc1ccc(CN2CCN(CCOC(=O)c3cccnc3)CC2)c(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-27-19-7-6-18(20(28-2)21(19)29-3)16-25-11-9-24(10-12-25)13-14-30-22(26)17-5-4-8-23-15-17/h4-8,15H,9-14,16H2,1-3H3
InChIKeyAGVJLPKGBKSLKF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
ninerafaxstat (CHEBI:758819) has role cardiovascular drug (CHEBI:35554)
ninerafaxstat (CHEBI:758819) is a pyridinemonocarboxylic acid (CHEBI:26420)
Synonyms  Source
IMB-1018972ChEMBL
NinerafaxstatChEMBL