Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:39081 - linkable sunitinib analogue
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
linkable sunitinib analogue
ChEBI ID
CHEBI:39081
Definition
An analogue of sunitinib in which the 2-(diethylamino)ethyl amide group is replaced by 3-aminopropyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C19H21FN4O2
Net Charge
0
Average Mass
356.39420
Monoisotopic Mass
356.16485
InChI
InChI=1S/C19H21FN4O2/c1-
10-
16(23-
11(2)
17(10)
19(26)
22-
7-
3-
6-
21)
9-
14-
13-
8-
12(20)
4-
5-
15(13)
24-
18(14)
25/h4-
5,8-
9,23H,3,6-
7,21H2,1-
2H3,(H,22,26)
(H,24,25)
/b14-
9-
InChIKey
ZJVJBYFEMNIAJZ-ZROIWOOFSA-N
SMILES
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCCN
ChEBI Ontology
Outgoing
linkable sunitinib analogue (
CHEBI:39081
)
has functional parent
sunitinib (
CHEBI:38940
)
linkable sunitinib analogue (
CHEBI:39081
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
linkable sunitinib analogue (
CHEBI:39081
)
is a
organofluorine compound (
CHEBI:37143
)
linkable sunitinib analogue (
CHEBI:39081
)
is a
oxindoles (
CHEBI:38459
)
linkable sunitinib analogue (
CHEBI:39081
)
is a
pyrroles (
CHEBI:26455
)
IUPAC Name
N
-
(3-
aminopropyl)-
5-
[(
Z
)-
(5-
fluoro-
2-
oxo-
1,2-
dihydro-
3
H
-
indol-
3-
ylidene)methyl]-
2,4-
dimethyl-
1
H
-
pyrrole-
3-
carboxamide
Registry Number
Type
Source
19052097
Reaxys Registry Number
Reaxys
Last Modified
22 August 2011
General Comment
2007-08-01
Analogue of sunitinib used in protein-binding studies.