CHEBI:34969 - SSR 125543

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ChEBI Name SSR 125543
ChEBI ID CHEBI:34969
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H28ClFN2OS
Net Charge 0
Average Mass 483.042
Monoisotopic Mass 482.15949
InChI InChI=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
InChIKey IEAKXXNRGSLYTQ-DEOSSOPVSA-N
SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SSR 125543 (CHEBI:34969) is a amine (CHEBI:32952)
Synonym Source
SSR 125543 KEGG COMPOUND
Manual Xref Database
C14129 KEGG COMPOUND
View more database links
Registry Number Type Source
752253-39-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014