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CHEBI:95081 - LSM-6333

ChEBI IDCHEBI:95081
ChEBI NameLSM-6333
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC23H25ClN4O2S
Net Charge0
Average Mass456.999
Monoisotopic Mass456.13867
SMILESCc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIInChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1
InChIKeyDNVXATUJJDPFDM-QGZVFWFLSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-6333 (CHEBI:95081) is a tert-butyl ester (CHEBI:140402)
LSM-6333 (CHEBI:95081) is a organonitrogen heterocyclic compound (CHEBI:38101)
LSM-6333 (CHEBI:95081) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual XrefsDatabases
LSM-6333LINCS