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CHEBI:130760 - [(1S,2aS,8bS)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:130760
ChEBI Name[(1S,2aS,8bS)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone
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DownloadsMolfile
FormulaC24H22FN3O2
Net Charge0
Average Mass403.457
Monoisotopic Mass403.16961
SMILESO=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F
InChIInChI=1S/C24H22FN3O2/c25-19-7-3-1-5-17(19)13-27-21-14-28(24(30)16-9-11-26-12-10-16)20-8-4-2-6-18(20)23(21)22(27)15-29/h1-12,21-23,29H,13-15H2/t21-,22-,23+/m1/s1
InChIKeyDIEPUCPGCIJAKU-ZLNRFVROSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[(1S,2aS,8bS)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone (CHEBI:130760) is a aminoquinoline (CHEBI:36709)
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