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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8979 - SB 228357
Main
ChEBI Ontology
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ChEBI Name
SB 228357
ChEBI ID
CHEBI:8979
Stars
This entity has been manually annotated by a third party.
Supplier Information
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SDF
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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 (Br
o
nsted 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