CHEBI:128248 - [(1R,2aS,8bS)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone

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ChEBI Name [(1R,2aS,8bS)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
ChEBI ID CHEBI:128248
Stars This entity has been manually annotated by a third party.
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Formula C25H25N3O3
Net Charge 0
Average Mass 415.485
Monoisotopic Mass 415.18959
InChI InChI=1S/C25H25N3O3/c1-31-23-11-5-2-7-18(23)14-27-21-15-28(25(30)17-8-6-12-26-13-17)20-10-4-3-9-19(20)24(21)22(27)16-29/h2-13,21-22,24,29H,14-16H2,1H3/t21-,22+,24+/m1/s1
InChIKey AVFJRCXGABTTSO-GPXNEJASSA-N
SMILES COC1=CC=CC=C1CN2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@@H]2CO)C(=O)C5=CN=CC=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 [(1R,2aS,8bS)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone (CHEBI:128248) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-39803 LINCS
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