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Chemistry, part 1

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Concept information

organofluorine compound > afatinib
... > 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 > afatinib
... > 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 > afatinib
organic aromatic compound > aromatic ether > afatinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > afatinib
organooxygen compound > carboxamide > secondary carboxamide > afatinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > afatinib
organic heterocyclic compound > organic heteromonocyclic compound > furans > afatinib
organochlorine compound > chlorobenzenes > monochlorobenzenes > afatinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enamide > afatinib
... > 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 > afatinib
organooxygen compound > carboxamide > alpha,beta-unsaturated carboxylic acid amide > enamide > afatinib
... > 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 > afatinib

Preferred term

afatinib  

Type

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

Broader concept

charge

  • 0

formula

  • C24H25ClFN5O3

has_role

inchi

  • InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

inchikey

  • ULXXDDBFHOBEHA-CWDCEQMOSA-N

mass

  • 485.93800

monoisotopicmass

  • 485.16300

smiles

  • CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

subset

  • 3_STAR

synonym EXACT

  • (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

synonym RELATED

  • afatinib
  • afatinibum
  • BIBW 2992

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61390

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