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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > maleate salt > bgt226

Preferred term

bgt226  

Type

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

Broader concept

charge

  • 0

formula

  • C32H29F3N6O6

has_part

has_role

inchi

  • InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

inchikey

  • YUXMAKUNSXIEKN-BTJKTKAUSA-N

mass

  • 650.60450

monoisotopicmass

  • 650.21007

smiles

  • OC(=O)/C=C/C(O)=O.COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1

subset

  • 3_STAR

synonym EXACT

  • 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (2Z)-but-2-enedioate

synonym RELATED

  • 4-{4-[8-(6-methoxypyridin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl}piperazin-1-ium (2Z)-3-carboxyacrylate
  • BGT226 maleate salt
  • NVP-BGT226

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:71953

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