CHEBI:126123 - 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone

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ChEBI Name 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone
ChEBI ID CHEBI:126123
Stars This entity has been manually annotated by a third party.
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Formula C19H23N3O3
Net Charge 0
Average Mass 341.405
Monoisotopic Mass 341.17394
InChI InChI=1S/C19H23N3O3/c1-2-5-18(24)22-9-16-19(14-6-3-4-7-15(14)22)17(10-23)21(16)8-13-11-25-12-20-13/h3-4,6-7,11-12,16-17,19,23H,2,5,8-10H2,1H3/t16-,17+,19+/m0/s1
InChIKey DJJJRMTZLLUIKB-YQVWRLOYSA-N
SMILES CCCC(=O)N1C[C@H]2[C@H]([C@H](N2CC3=COC=N3)CO)C4=CC=CC=C41
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 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone (CHEBI:126123) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-37690 LINCS
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