EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8980 - SB 243213

ChEBI IDCHEBI:8980
ChEBI NameSB 243213
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H19F3N4O2
Net Charge0
Average Mass428.414
Monoisotopic Mass428.14601
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
InChIInChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
InChIKeyZETBBVYSBABLHL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SB 243213 (CHEBI:8980) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
SB 243213KEGG COMPOUND
Manual XrefsDatabases
C11743KEGG COMPOUND