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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > acalabrutinib
organooxygen compound > carboxamide > secondary carboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > acalabrutinib
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > acalabrutinib
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > tertiary carboxamide > acalabrutinib
organooxygen compound > carboxamide > tertiary carboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > acalabrutinib
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > acalabrutinib
organic aromatic compound > aromatic amine > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > acalabrutinib
organooxygen compound > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > acalabrutinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > acalabrutinib
organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > acalabrutinib
organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinecarboxamide > acalabrutinib

Preferred term

acalabrutinib  

Type

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

Broader concept

charge

  • 0

formula

  • C26H23N7O2

has_role

inchi

  • InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1

inchikey

  • WDENQIQQYWYTPO-IBGZPJMESA-N

mass

  • 465.517

monoisotopicmass

  • 465.19132

smiles

  • [H][C@]1(CCCN1C(=O)C#CC)C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1

subset

  • 3_STAR

synonym EXACT

  • 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide

synonym RELATED

  • 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridyl)benzamide
  • acalabrutinib
  • acalabrutinibum
  • ACP-196
  • Calquence
  • (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167707

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