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CHEBI:124955 - (3aR,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

ChEBI IDCHEBI:124955
ChEBI Name(3aR,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
Stars
DownloadsMolfile
FormulaC29H28FN3O3
Net Charge0
Average Mass485.559
Monoisotopic Mass485.21147
SMILESCOc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N(C)[C@@H]2CO
InChIInChI=1S/C29H28FN3O3/c1-32-25-13-12-20(11-10-19-6-5-7-21(30)16-19)17-23(25)28-22(26(32)18-34)14-15-33(28)29(35)31-24-8-3-4-9-27(24)36-2/h3-9,12-13,16-17,22,26,28,34H,14-15,18H2,1-2H3,(H,31,35)/t22-,26+,28-/m0/s1
InChIKeyFQSGLAJUBUSVPO-MDBQKXLBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aR,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-N-(2-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:124955) is a pyrroloquinoline (CHEBI:50918)
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