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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 > carboxamide > secondary carboxamide > ro0480500-002
organooxygen compound > carboxamide > secondary carboxamide > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > ro0480500-002
organooxygen compound > ester > carboxylic ester > benzoate ester > ro0480500-002
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > ro0480500-002
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > ro0480500-002
organic aromatic compound > phenols > ro0480500-002
organofluorine compound > fluorobenzenes > monofluorobenzenes > ro0480500-002
organooxygen compound > carbonyl compound > ketone > aromatic ketone > ro0480500-002
... > 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 > ro0480500-002
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > pyridinecarboxamide > ro0480500-002
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > pyridinecarboxamide > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > pyridinecarboxamide > ro0480500-002
organooxygen compound > carboxamide > pyridinecarboxamide > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > pyridinecarboxamide > ro0480500-002
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azepanes > ro0480500-002
organic heterocyclic compound > organonitrogen heterocyclic compound > azepanes > ro0480500-002
organic heterocyclic compound > organic heteromonocyclic compound > azepanes > ro0480500-002

Preferred term

ro0480500-002  

Type

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

Broader concept

charge

  • 0

formula

  • C27H26FN3O6

has_role

inchi

  • InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1

inchikey

  • VYPRIFLEMOQRJK-TZIWHRDSSA-N

mass

  • 507.518

monoisotopicmass

  • 507.18056

smiles

  • COC1=CC=C(O)C(C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)C2=CC=NC=C2)=C1F

subset

  • 3_STAR

synonym EXACT

  • (3R,4R)-3-[(pyridin-4-ylcarbonyl)amino]azepan-4-yl 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate
  • RO0480500-002

synonym RELATED

  • (3R,4R)-3-[(pyridin-4-ylcarbonyl)amino]azepan-4-yl 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzoate
  • (4R)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3R)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester
  • RO48

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:43183

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