CHEBI:130095 - (1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

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ChEBI Name (1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
ChEBI ID CHEBI:130095
Stars This entity has been manually annotated by a third party.
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Formula C25H23FN4O3
Net Charge 0
Average Mass 446.474
Monoisotopic Mass 446.17542
InChI InChI=1S/C25H23FN4O3/c26-16-6-5-8-18(12-16)28-25(33)29-14-21-24(19-9-1-2-10-20(19)29)22(15-31)30(21)23(32)13-17-7-3-4-11-27-17/h1-12,21-22,24,31H,13-15H2,(H,28,33)/t21-,22+,24+/m0/s1
InChIKey PJKYSCCIDOXZLC-WMTXJRDZSA-N
SMILES C1[C@H]2[C@H]([C@H](N2C(=O)CC3=CC=CC=N3)CO)C4=CC=CC=C4N1C(=O)NC5=CC(=CC=C5)F
ChEBI Ontology
Outgoing (1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide (CHEBI:130095) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-41645 LINCS
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