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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amine > ssr 125543
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amine > ssr 125543

Preferred term

ssr 125543  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H28ClFN2OS

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

mass

  • 483.042

monoisotopicmass

  • 482.15949

smiles

  • COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1

subset

  • 2_STAR

synonym EXACT

  • SSR 125543

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:34969

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