Details
Stereochemistry | ACHIRAL |
Molecular Formula | C6H8ClN3O4S2 |
Molecular Weight | 285.728 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=C(C=C(C(Cl)=C1)S(N)(=O)=O)S(N)(=O)=O
InChI
InChIKey=IHJCXVZDYSXXFT-UHFFFAOYSA-N
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
Molecular Formula | C6H8ClN3O4S2 |
Molecular Weight | 285.728 |
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: CHEMBL205 |
96.0 nM [IC50] | ||
Target ID: CHEMBL4789 |
4.17 µM [IC50] | ||
Target ID: CHEMBL3242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16039848 |
44.0 nM [Ki] | ||
Target ID: CHEMBL3594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16039848 |
39.0 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:14:42 GMT 2023
by
admin
on
Sat Dec 16 04:14:42 GMT 2023
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Record UNII |
3A52O8YREJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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121-30-2
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m3346
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PRIMARY | Merck Index | ||
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1057507
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67136
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93772
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3A52O8YREJ
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DTXSID1059521
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204-463-1
Created by
admin on Sat Dec 16 04:14:43 GMT 2023 , Edited by admin on Sat Dec 16 04:14:43 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> DEGRADENT |
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PARENT -> DERIVATIVE |
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PARENT -> METABOLITE |
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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