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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 > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > volasertib
... > 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 > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > volasertib
organooxygen compound > carboxamide > secondary carboxamide > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > volasertib
organic aromatic compound > aromatic amine > anilines > substituted aniline > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > anilines > substituted aniline > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > anilines > substituted aniline > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > volasertib
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > volasertib
... > 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 > volasertib
... > 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 > volasertib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pteridines > volasertib
organic heterocyclic compound > organonitrogen heterocyclic compound > pteridines > volasertib
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > pteridines > volasertib
organic aromatic compound > heteroarene > pteridines > volasertib
organic heterocyclic compound > heteroarene > pteridines > volasertib

Preferred term

volasertib  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50N8O3

has_role

inchi

  • InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1

inchikey

  • SXNJFOWDRLKDSF-STROYTFGSA-N

mass

  • 618.827

monoisotopicmass

  • 618.40059

smiles

  • CC[C@H]1N(C(C)C)C2=NC(NC3=C(OC)C=C(C=C3)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O

subset

  • 3_STAR

synonym EXACT

  • N-{(1r,4R)-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-6-oxo-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide

synonym RELATED

  • BI 6727
  • BI-6727
  • BI6727
  • volasertib
  • volasertibum

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231358

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