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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 > organonitrogen heterocyclic compound > piperidines > dinaciclib
organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > dinaciclib
organic heterocyclic compound > organic heteromonocyclic compound > piperidines > dinaciclib
... > 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 > dinaciclib
... > 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 > dinaciclib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > primary alcohol > dinaciclib
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > dinaciclib
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > dinaciclib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > dinaciclib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > dinaciclib

Preferred term

dinaciclib  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N6O2

has_role

inchi

  • InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1

inchikey

  • PIMQWRZWLQKKBJ-SFHVURJKSA-N

mass

  • 396.495

monoisotopicmass

  • 396.22737

smiles

  • CCC1=C2N=C(C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1)N1CCCC[C@H]1CCO

subset

  • 3_STAR

synonym EXACT

  • 2-[(2S)-1-(3-ethyl-7-{[(1-oxidopyridin-3-yl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)piperidin-2-yl]ethanol

synonym RELATED

  • 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
  • (2S)-1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol
  • dinaciclib
  • dinaciclibum
  • MK 7965
  • MK-7965
  • MK7965
  • SCH 727965
  • SCH-727965
  • SCH727965

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95060

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