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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34549 - BMS 379224
Main
ChEBI Ontology
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ChEBI Name
BMS 379224
ChEBI ID
CHEBI:34549
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C23H20F2N5O5PS
Net Charge
0
Average Mass
547.473
Monoisotopic Mass
547.08908
InChI
InChI=1S/C23H20F2N5O5PS/c1-
15(22-
29-
21(10-
37-
22)
17-
4-
2-
16(9-
26)
3-
5-
17)
23(11-
30-
13-
27-
12-
28-
30,34-
14-
35-
36(31,32)
33)
19-
7-
6-
18(24)
8-
20(19)
25/h2-
8,10,12-
13,15H,11,14H2,1H3,(H2,31,32,33)
/t15-
,23+/m0/s1
InChIKey
SYTNEMZCCLUTNX-NPMXOYFQSA-N
SMILES
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](Cn1cncn1)(OCOP(O)(O)=O)c1ccc(F)cc1F
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
BMS 379224 (
CHEBI:34549
)
is a
amine (
CHEBI:32952
)
Synonym
Source
BMS 379224
KEGG COMPOUND
Manual Xref
Database
C14817
KEGG COMPOUND
View more database links
Last Modified
28 July 2014