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CHEBI:124949 - [(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:124949
ChEBI Name[(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
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DownloadsMolfile
FormulaC28H27N3O3
Net Charge0
Average Mass453.542
Monoisotopic Mass453.20524
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3C)cc1
InChIInChI=1S/C28H27N3O3/c1-30-25-10-7-20(4-3-19-5-8-22(34-2)9-6-19)17-24(25)27-23(26(30)18-32)13-16-31(27)28(33)21-11-14-29-15-12-21/h5-12,14-15,17,23,26-27,32H,13,16,18H2,1-2H3/t23-,26+,27-/m0/s1
InChIKeyDGLRKLGEBQNZIM-RNJDCESWSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone (CHEBI:124949) is a pyrroloquinoline (CHEBI:50918)
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