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CHEBI:130628 - [(1R,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:130628
ChEBI Name[(1R,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC24H27ClN2O3
Net Charge0
Average Mass426.944
Monoisotopic Mass426.17102
SMILESO=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN2O3/c25-18-7-5-16(6-8-18)13-26-21-14-27(24(29)17-9-11-30-12-10-17)20-4-2-1-3-19(20)23(21)22(26)15-28/h1-8,17,21-23,28H,9-15H2/t21-,22-,23+/m0/s1
InChIKeyKGAZZJOVSJKWCZ-RJGXRXQPSA-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,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-oxanyl)methanone (CHEBI:130628) is a aminoquinoline (CHEBI:36709)
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LSM-42177LINCS