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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic ether > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiazoles > tak-632
organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzothiazoles > tak-632
organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > tak-632
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > tak-632
organooxygen compound > carboxamide > secondary carboxamide > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > tak-632
organofluorine compound > fluorobenzenes > monofluorobenzenes > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > cyclopropylcarboxamide > tak-632
organooxygen compound > carboxamide > cyclopropylcarboxamide > tak-632
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > cyclopropylcarboxamide > tak-632

Preferred term

tak-632  

Type

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

Broader concept

charge

  • 0

formula

  • C27H18F4N4O3S

has_role

inchi

  • InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)

inchikey

  • OJFKUJDRGJSAQB-UHFFFAOYSA-N

mass

  • 554.520

monoisotopicmass

  • 554.10357

smiles

  • FC1=C(NC(=O)CC2=CC(=CC=C2)C(F)(F)F)C=C(OC2=C(C#N)C3=C(C=C2)N=C(NC(=O)C2CC2)S3)C=C1

subset

  • 3_STAR

synonym EXACT

  • N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

synonym RELATED

  • N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide
  • N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide
  • TAK 632
  • TAK632

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167673

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