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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 > organonitrogen heterocyclic compound > piperidines > dacomitinib
organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > dacomitinib
organic heterocyclic compound > organic heteromonocyclic compound > piperidines > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > dacomitinib
organooxygen compound > carboxamide > secondary carboxamide > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > dacomitinib
organochlorine compound > chlorobenzenes > monochlorobenzenes > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > dacomitinib
organofluorine compound > fluorobenzenes > monofluorobenzenes > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enamide > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > dacomitinib
organooxygen compound > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > dacomitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > dacomitinib

Preferred term

dacomitinib  

Type

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

Broader concept

charge

  • 0

formula

  • C24H25ClFN5O2

has_role

inchi

  • InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+

inchikey

  • LVXJQMNHJWSHET-AATRIKPKSA-N

mass

  • 469.940

monoisotopicmass

  • 469.16808

smiles

  • ClC=1C=C(NC2=NC=NC=3C2=CC(NC(=O)/C=C/CN4CCCCC4)=C(OC)C3)C=CC1F

subset

  • 3_STAR

synonym EXACT

  • (2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide

synonym RELATED

  • dacomitinib
  • dacomitinibum
  • PF-00299804
  • PF 00299804-03
  • PF-00299804-03

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132268

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