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

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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
ChEBI ID CHEBI:130760
Stars This entity has been manually annotated by a third party.
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Formula C24H22FN3O2
Net Charge 0
Average Mass 403.450
Monoisotopic Mass 403.16961
InChI InChI=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
InChIKey DIEPUCPGCIJAKU-ZLNRFVROSA-N
SMILES C1[C@@H]2[C@@H]([C@H](N2CC3=CC=CC=C3F)CO)C4=CC=CC=C4N1C(=O)C5=CC=NC=C5
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing [(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)
Manual Xref Database
LSM-42309 LINCS
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