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CHEBI:92490 - LSM-2613

ChEBI IDCHEBI:92490
ChEBI NameLSM-2613
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H22ClN5O2S
Net Charge0
Average Mass455.971
Monoisotopic Mass455.11827
SMILESCc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChIKeyJGPJQFOROWSRRS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-2613 (CHEBI:92490) is a organonitrogen heterocyclic compound (CHEBI:38101)
LSM-2613 (CHEBI:92490) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual XrefsDatabases
LSM-2613LINCS
D01652KEGG DRUG