CHEBI:130703 - [(1S,2aS,8bS)-1-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone

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ChEBI Name [(1S,2aS,8bS)-1-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone
ChEBI ID CHEBI:130703
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/c1-31-19-6-4-5-17(13-19)14-27-22-15-28(25(30)18-9-11-26-12-10-18)21-8-3-2-7-20(21)24(22)23(27)16-29/h2-13,22-24,29H,14-16H2,1H3/t22-,23-,24+/m1/s1
InChIKey DVWAPASGEQQCHP-SMIHKQSGSA-N
SMILES COC1=CC=CC(=C1)CN2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@H]2CO)C(=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)-1-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-4-ylmethanone (CHEBI:130703) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-42252 LINCS
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