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CHEBI:34969 - SSR 125543

ChEBI IDCHEBI:34969
ChEBI NameSSR 125543
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H28ClFN2OS
Net Charge0
Average Mass483.052
Monoisotopic Mass482.15949
SMILESC#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1
InChIInChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
InChIKeyIEAKXXNRGSLYTQ-DEOSSOPVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SSR 125543 (CHEBI:34969) is a amine (CHEBI:32952)
Synonym  Source
SSR 125543KEGG COMPOUND
Manual XrefsDatabases
C14129KEGG COMPOUND
Registry NumbersSources
CAS:752253-39-7KEGG COMPOUND