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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
38
Total Number of Articles : 70
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| PubChem |
1549120
|
| Molecular Formula |
C15H13NO3S2 |
| SMILES |
C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
| InChI |
InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8- |
| synonyms |
- epalrestat
- 82159-09-9
- Kinedak
- Epalrestatum
- Epalrestat [INN]
- Ono 2235
- Ono-2235
- 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
- Aldonil
- Aldorin
- Tanglin
- 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- CHEMBL56337
- 5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
- 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- CHEBI:31539
- 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
- MFCD00865484
- 424DV0807X
- {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
- Epalrestatum [Latin]
- ONO-2
- {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
- ONO 2
- Kinedak (TN)
- DTXSID1046479
- ONO2235
- UNII-424DV0807X
- 2-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
- NCGC00164613-01
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| Properties |
| Property |
Value |
| MW |
319.4 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
4 |
| Exact Mass |
319.03368562 g/mol |
| Monoisotopic Mass |
319.03368562 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
519 |
| xlogp |
3.8 |
| Topological Polar Surface Area |
115 |
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