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=C1C=CN=C2
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
Sat Dec 16 18:26:39 GMT 2023
by
admin
on
Sat Dec 16 18:26:39 GMT 2023
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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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-
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9904471
Created by
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116970-62-8
Created by
admin on Sat Dec 16 18:26:39 GMT 2023 , Edited by admin on Sat Dec 16 18:26:39 GMT 2023
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YPR5E3J77X
Created by
admin on Sat Dec 16 18:26:39 GMT 2023 , Edited by admin on Sat Dec 16 18:26:39 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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