Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H18N2O5S |
| Molecular Weight | 314.357 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)NC1=CC=C(C=C1OC2CCCCC2)[N+]([O-])=O
InChI
InChIKey=KTDZCOWXCWUPEO-UHFFFAOYSA-N
InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
| Molecular Formula | C13H18N2O5S |
| Molecular Weight | 314.357 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18063374 |
0.61 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:33:45 GMT 2025
by
admin
on
Wed Apr 02 14:33:45 GMT 2025
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| Record UNII |
9SP55KM2KS
|
| Record Status |
Validated (UNII)
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| Record Version |
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9SP55KM2KS
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DTXSID8041084
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NS-398
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123653-11-2
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admin on Wed Apr 02 14:33:45 GMT 2025 , Edited by admin on Wed Apr 02 14:33:45 GMT 2025
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4553
Created by
admin on Wed Apr 02 14:33:45 GMT 2025 , Edited by admin on Wed Apr 02 14:33:45 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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