EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125104 - 2-[[(1S,5R)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]thiazole

ChEBI IDCHEBI:125104
ChEBI Name2-[[(1S,5R)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]thiazole
Stars
DownloadsMolfile
FormulaC20H20N4S
Net Charge0
Average Mass348.475
Monoisotopic Mass348.14087
SMILESc1cc(-c2ccc(C3[C@@H]4CN(Cc5nccs5)C[C@H]3N4)cc2)ccn1
InChIInChI=1S/C20H20N4S/c1-3-16(4-2-14(1)15-5-7-21-8-6-15)20-17-11-24(12-18(20)23-17)13-19-22-9-10-25-19/h1-10,17-18,20,23H,11-13H2/t17-,18+,20?
InChIKeyUAJVUZANJCWABF-UFRUDQCGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(1S,5R)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]thiazole (CHEBI:125104) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36566LINCS