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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

ChEBI IDCHEBI:130703
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
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FormulaC25H25N3O3
Net Charge0
Average Mass415.493
Monoisotopic Mass415.18959
SMILESCOc1cccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)c4ccncc4)C[C@H]32)c1
InChIInChI=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
InChIKeyDVWAPASGEQQCHP-SMIHKQSGSA-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)-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)
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