EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127970 - LSM-39526

ChEBI IDCHEBI:127970
ChEBI NameLSM-39526
Stars
DownloadsMolfile
FormulaC25H30FN3O2
Net Charge0
Average Mass423.532
Monoisotopic Mass423.23221
SMILESCC=Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1
InChIInChI=1S/C25H30FN3O2/c1-2-5-18-6-8-19(9-7-18)24-22-16-28(14-3-4-15-29(22)23(24)17-30)25(31)27-21-12-10-20(26)11-13-21/h2,5-13,22-24,30H,3-4,14-17H2,1H3,(H,27,31)/t22-,23-,24-/m1/s1
InChIKeyXNACUZIZQDXWGE-WXFUMESZSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-39526 (CHEBI:127970) is a azetidines (CHEBI:38777)
LSM-39526 (CHEBI:127970) is a benzenes (CHEBI:22712)
LSM-39526 (CHEBI:127970) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39526LINCS