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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38912 - Ro 31-8220
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ChEBI Ontology
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ChEBI Name
Ro 31-8220
ChEBI ID
CHEBI:38912
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H23N5O2S
Net Charge
0
Average Mass
457.54862
Monoisotopic Mass
457.15725
InChI
InChI=1S/C25H23N5O2S/c1-
29-
13-
17(15-
7-
2-
4-
9-
19(15)
29)
21-
22(24(32)
28-
23(21)
31)
18-
14-
30(11-
6-
12-
33-
25(26)
27)
20-
10-
5-
3-
8-
16(18)
20/h2-
5,7-
10,13-
14H,6,11-
12H2,1H3,(H3,26,27)
(H,28,31,32)
InChIKey
DSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES
Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12
Roles Classification
Biological Role
(s):
EC 2.7.11.13 (protein kinase C) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Ro 31-8220 (
CHEBI:38912
)
has functional parent
maleimide (
CHEBI:16072
)
Ro 31-8220 (
CHEBI:38912
)
has role
EC 2.7.11.13 (protein kinase C) inhibitor (
CHEBI:37700
)
Ro 31-8220 (
CHEBI:38912
)
is a
imidothiocarbamic ester (
CHEBI:38914
)
Ro 31-8220 (
CHEBI:38912
)
is a
indoles (
CHEBI:24828
)
Ro 31-8220 (
CHEBI:38912
)
is a
maleimides (
CHEBI:55417
)
IUPAC Name
3-
{3-
[4-
(1-
methyl-
1
H
-
indol-
3-
yl)-
2,5-
dioxo-
2,5-
dihydro-
1
H
-
pyrrol-
3-
yl]-
1
H
-
indol-
1-
yl}propyl carbamimidothioate
Synonyms
Sources
3-
{3-
[4-
(1-
methyl-
1
H
-
indol-
3-
yl)-
2,5-
dioxo-
2,5-
dihydro-
1
H
-
pyrrol-
3-
yl]-
1
H
-
indol-
1-
yl}propyl imidothiocarbamate
IUPAC
Ro 31 8220
ChemIDplus
Manual Xref
Database
LSM-2125
LINCS
View more database links
Registry Numbers
Types
Sources
125314-64-9
CAS Registry Number
ChemIDplus
5366323
Beilstein Registry Number
Beilstein
Last Modified
24 February 2016