EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129319 - LSM-40870

ChEBI IDCHEBI:129319
ChEBI NameLSM-40870
Stars
DownloadsMolfile
FormulaC22H23N3O3
Net Charge0
Average Mass377.444
Monoisotopic Mass377.17394
SMILESCC=Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1
InChIInChI=1S/C22H23N3O3/c1-2-3-15-4-6-16(7-5-15)21-18-12-24(13-20(27)25(18)19(21)14-26)22(28)17-8-10-23-11-9-17/h2-11,18-19,21,26H,12-14H2,1H3/t18-,19+,21-/m0/s1
InChIKeyBOAKHLQELDSFEV-ZVDOUQERSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-40870 (CHEBI:129319) is a azetidines (CHEBI:38777)
LSM-40870 (CHEBI:129319) is a benzenes (CHEBI:22712)
LSM-40870 (CHEBI:129319) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40870LINCS