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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

ChEBI IDCHEBI:128248
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
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FormulaC25H25N3O3
Net Charge0
Average Mass415.493
Monoisotopic Mass415.18959
SMILESCOc1ccccc1CN1[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3[C@@H]2[C@@H]1CO
InChIInChI=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
InChIKeyAVFJRCXGABTTSO-GPXNEJASSA-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)
[(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)
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