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:149827 - CID 3191469
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
CID 3191469
ChEBI ID
CHEBI:149827
Stars
This entity has been manually annotated by a third party.
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
C30H32N6O5
Net Charge
0
Average Mass
556.623
Monoisotopic Mass
556.24342
InChI
InChI=1S/C30H32N6O5/c1-
20(37)
32-
22-
11-
13-
23(14-
12-
22)
36(28(38)
19-
35-
27-
8-
4-
3-
7-
26(27)
33-
34-
35)
29(21-
9-
15-
24(40-
2)
16-
10-
21)
30(39)
31-
18-
25-
6-
5-
17-
41-
25/h3-
4,7-
16,25,29H,5-
6,17-
19H2,1-
2H3,(H,31,39)
(H,32,37)
InChIKey
KMZDAUWGOMFZCP-UHFFFAOYSA-N
SMILES
O=C(N(C(C1=CC=C(OC)C=C1)C(=O)NCC2OCCC2)C3=CC=C(NC(=O)C)C=C3)CN4N=NC=5C4=CC=CC5
Roles Classification
Biological Role
(s):
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
CID 3191469 (
CHEBI:149827
)
has role
anticoronaviral agent (
CHEBI:149553
)
CID 3191469 (
CHEBI:149827
)
is a
acetamides (
CHEBI:22160
)
CID 3191469 (
CHEBI:149827
)
is a
anilide (
CHEBI:13248
)
General Comment
2020-05-22
anti-coronaviral activity data of this compound obtained from ChEMBL