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CHEBI:120593 - 5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester

Default Structure
ChEBI IDCHEBI:120593
ChEBI Name5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H23N7O3
Net Charge0
Average Mass385.428
Monoisotopic Mass385.18624
SMILESCCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C)CC1
InChIInChI=1S/C18H23N7O3/c1-3-27-18(26)15-14(12-23-10-6-13(2)7-11-23)25(22-19-15)17-16(20-28-21-17)24-8-4-5-9-24/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeySWLRMOYLLOZQCB-UHFFFAOYSA-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)
5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester (CHEBI:120593) is a aralkylamine (CHEBI:18000)
Manual XrefsDatabases
LSM-32036LINCS