EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110101 - LSM-21528

ChEBI IDCHEBI:110101
ChEBI NameLSM-21528
Stars
DownloadsMolfile
FormulaC25H32FN3O3
Net Charge0
Average Mass441.547
Monoisotopic Mass441.24277
SMILESCC=Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccccc1F)O2
InChIInChI=1S/C25H32FN3O3/c1-5-8-19-11-21-24(27-12-19)32-23(17(2)13-29(25(21)31)18(3)16-30)15-28(4)14-20-9-6-7-10-22(20)26/h5-12,17-18,23,30H,13-16H2,1-4H3/t17-,18+,23-/m0/s1
InChIKeyBFKPGMXAQGECHU-IXFSTUDKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-21528 (CHEBI:110101) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-21528LINCS