Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H15N3O2S.ClH |
| Molecular Weight | 301.792 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNCCNS(=O)(=O)C1=CC=CC2=CN=CC=C12
InChI
InChIKey=WGYFLDSVYRDHDI-UHFFFAOYSA-N
InChI=1S/C12H15N3O2S.ClH/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12;/h2-6,9,13,15H,7-8H2,1H3;1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H15N3O2S |
| Molecular Weight | 265.331 |
| 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: CHEMBL2094266 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2161662 |
36.0 µM [IC50] | ||
Target ID: CHEMBL4079 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11741218 |
100.0 µM [IC50] | ||
Target ID: CHEMBL2093867 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8824261 |
15.0 µM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 11:09:48 GMT 2025
by
admin
on
Wed Apr 02 11:09:48 GMT 2025
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| Record UNII |
YPR5E3J77X
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| Record Status |
Validated (UNII)
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| Record Version |
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116970-62-8
Created by
admin on Wed Apr 02 11:09:48 GMT 2025 , Edited by admin on Wed Apr 02 11:09:48 GMT 2025
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YPR5E3J77X
Created by
admin on Wed Apr 02 11:09:48 GMT 2025 , Edited by admin on Wed Apr 02 11:09:48 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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