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Chemistry, part 3

Content language

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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 > tirabrutinib

Preferred term

tirabrutinib  

Type

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

Broader concept

charge

  • 0

formula

  • C25H22N6O3

inchi

  • InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1

inchikey

  • SEJLPXCPMNSRAM-GOSISDBHSA-N

mass

  • 454.490

monoisotopicmass

  • 454.17534

smiles

  • CC#CC(N1CC[C@@](C1)([H])N2C=3C(=C(N)N=CN3)N(C4=CC=C(C=C4)OC5=CC=CC=C5)C2=O)=O

subset

  • 2_STAR

synonym RELATED

  • 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
  • GS-4059
  • ONO-4059
  • ONO4059

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232544

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