CHEBI:127913 - [(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

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ChEBI Name [(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
ChEBI ID CHEBI:127913
Stars This entity has been manually annotated by a third party.
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Formula C24H22ClFN2O3S
Net Charge 0
Average Mass 472.961
Monoisotopic Mass 472.10237
InChI InChI=1S/C24H22ClFN2O3S/c25-20-7-3-1-5-16(20)13-27-22-14-28(32(30,31)18-11-9-17(26)10-12-18)21-8-4-2-6-19(21)24(22)23(27)15-29/h1-12,22-24,29H,13-15H2/t22-,23+,24+/m1/s1
InChIKey IJAJYIACEINGRL-SGNDLWITSA-N
SMILES C1[C@@H]2[C@@H]([C@@H](N2CC3=CC=CC=C3Cl)CO)C4=CC=CC=C4N1S(=O)(=O)C5=CC=C(C=C5)F
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 [(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol (CHEBI:127913) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-39469 LINCS
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