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CHEBI:80012 - Ro 18-5364

ChEBI IDCHEBI:80012
ChEBI NameRo 18-5364
Stars
DownloadsMolfile
FormulaC22H25N3O3S
Net Charge0
Average Mass411.527
Monoisotopic Mass411.16166
SMILESCOc1ccnc(CS(=O)c2nc3cc4c(cc3n2)C(C)(C)C(=O)C4(C)C)c1C
InChIInChI=1S/C22H25N3O3S/c1-12-17(23-8-7-18(12)28-6)11-29(27)20-24-15-9-13-14(10-16(15)25-20)22(4,5)19(26)21(13,2)3/h7-10H,11H2,1-6H3,(H,24,25)
InChIKeyYBCJDBBYBFMVEG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ro 18-5364 (CHEBI:80012) is a benzimidazoles (CHEBI:22715)
Ro 18-5364 (CHEBI:80012) is a sulfoxide (CHEBI:22063)
Manual XrefsDatabases
C15665KEGG COMPOUND
Registry NumbersSources
CAS:101387-98-8KEGG COMPOUND