CHEBI:8979 - SB 228357

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SB 228357
ChEBI ID CHEBI:8979
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C22H17F4N3O2
C22H17F4N3O2
Net Charge 0
Average Mass 431.384
Monoisotopic Mass 431.12569
InChI InChI=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)
InChIKey RRJLJKRFFRZRAF-UHFFFAOYSA-N
SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SB 228357 (CHEBI:8979) is a indolyl carboxylic acid (CHEBI:46867)
Synonym Source
SB 228357 KEGG COMPOUND
Manual Xrefs Databases
C11742 KEGG COMPOUND
LSM-19980 LINCS
View more database links
Last Modified
25 February 2016