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CHEBI:8979 - SB 228357

ChEBI IDCHEBI:8979
ChEBI NameSB 228357
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC22H17F4N3O2
Net Charge0
Average Mass431.389
Monoisotopic Mass431.12569
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2
InChIInChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
InChIKeyRRJLJKRFFRZRAF-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 228357 (CHEBI:8979) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
SB 228357KEGG COMPOUND
Manual XrefsDatabases
C11742KEGG COMPOUND
LSM-19980LINCS