EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759829 - nt-0796

Default Structure
ChEBI IDCHEBI:759829
ChEBI Nament-0796
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H27N3O4
Net Charge0
Average Mass409.486
Monoisotopic Mass409.20016
SMILESCC(C)OC(=O)[C@@H](Cc1ncccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C23H27N3O4/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyUMUQEMHROZVOTF-LJQANCHMSA-N
Roles Classification
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)
nt-0796 (CHEBI:759829) has role cardiovascular drug (CHEBI:35554)
nt-0796 (CHEBI:759829) is a indanes (CHEBI:46940)
Synonym  Source
Nt-0796ChEMBL
Citations