EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:92731 - 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol

ChEBI IDCHEBI:92731
ChEBI Name2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
Stars
DownloadsMolfile
FormulaC17H23ClN6O2
Net Charge0
Average Mass378.864
Monoisotopic Mass378.15710
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCCC2)n1
InChIInChI=1S/C17H23ClN6O2/c1-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-2-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyZMPSLQHVIXWVTO-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)
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol (CHEBI:92731) is a methoxybenzenes (CHEBI:51683)
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol (CHEBI:92731) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-2920LINCS