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CHEBI:127740 - [(1S,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone

ChEBI IDCHEBI:127740
ChEBI Name[(1S,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
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FormulaC26H32N2O3
Net Charge0
Average Mass420.553
Monoisotopic Mass420.24129
SMILESCOc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21
InChIInChI=1S/C26H32N2O3/c1-31-24-14-8-5-11-19(24)15-27-22-16-28(26(30)18-9-3-2-4-10-18)21-13-7-6-12-20(21)25(22)23(27)17-29/h5-8,11-14,18,22-23,25,29H,2-4,9-10,15-17H2,1H3/t22-,23+,25+/m0/s1
InChIKeyWTXSGWSQTIWVGJ-JBRSBNLGSA-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,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone (CHEBI:127740) is a aminoquinoline (CHEBI:36709)
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