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Chemistry, part 1

Content language

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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 > ana-12
organooxygen compound > carboxamide > secondary carboxamide > ana-12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > ana-12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > caprolactams > ana-12
organooxygen compound > carboxamide > lactam > caprolactams > ana-12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > caprolactams > ana-12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > caprolactams > ana-12
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > caprolactams > ana-12

Preferred term

ana-12  

Type

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

Broader concept

charge

  • 0

formula

  • C22H21N3O3S

has_functional_parent

has_role

inchi

  • InChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)

inchikey

  • TUSCYCAIGRVBMD-UHFFFAOYSA-N

mass

  • 407.487

monoisotopicmass

  • 407.13036

smiles

  • C1=C2C(=CC=C1)SC(=C2)C(=O)NC3=C(C=CC=C3)C(=O)NC4C(NCCCC4)=O

subset

  • 3_STAR

synonym EXACT

  • N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide

synonym RELATED

  • ANA12
  • TrkB antagonist

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140465

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