CHEBI:109473 - 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester

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ChEBI Name 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester
ChEBI ID CHEBI:109473
Stars This entity has been manually annotated by a third party.
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Formula C22H28N4O6S
Net Charge 0
Average Mass 476.548
Monoisotopic Mass 476.17296
InChI InChI=1S/C22H28N4O6S/c1-12-23-22-26(24-12)20(27)19(33-22)17(25-8-6-13(7-9-25)21(28)32-5)14-10-15(29-2)18(31-4)16(11-14)30-3/h10-11,13,17,27H,6-9H2,1-5H3
InChIKey UJLJXZUPIYSLTG-UHFFFAOYSA-N
SMILES CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)OC)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester (CHEBI:109473) is a carboxylic acid (CHEBI:33575)
1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester (CHEBI:109473) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-20870 LINCS
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