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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic ether > regorafenib
organochlorine compound > chlorobenzenes > monochlorobenzenes > regorafenib
organofluorine compound > fluorobenzenes > monofluorobenzenes > regorafenib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > phenylureas > regorafenib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > pyridinecarboxamide > regorafenib
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > pyridinecarboxamide > regorafenib
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > pyridinecarboxamide > regorafenib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > pyridinecarboxamide > regorafenib
organooxygen compound > carboxamide > pyridinecarboxamide > regorafenib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > pyridinecarboxamide > regorafenib

Preferred term

regorafenib  

Type

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

Broader concept

charge

  • 0

formula

  • C21H15ClF4N4O3

has_role

inchi

  • InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)

inchikey

  • FNHKPVJBJVTLMP-UHFFFAOYSA-N

mass

  • 482.816

monoisotopicmass

  • 482.07688

smiles

  • C1(=C(C=C(C=C1)NC(NC2=CC=C(C=C2F)OC3=CC=NC(=C3)C(NC)=O)=O)C(F)(F)F)Cl

subset

  • 3_STAR

synonym EXACT

  • 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

synonym RELATED

  • BAY 73-4506
  • regorafenib
  • regorafenibum
  • Regorafenibum

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68647

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