General Information of the Compound
| Compound ID |
CP0046223
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| Compound Name |
2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
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| Synonyms |
Epalrestatum
2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine
424DV0807X
5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
82159-09-9
Aldorin (TN)
C15H13NO3S2
CHEBI:31539
CHEMBL56337
Epalrestat
Epalrestat (JAN/INN)
Epalrestat [INN]
Epalrestatum
Epalrestatum [Latin]
Kinedak
Kinedak (TN)
ONO 2
ONO-2
Ono 2
Ono 2235
Ono-2235
UNII-424DV0807X
epalrestat
{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
{5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
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| Structure |
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| Formula |
C15H13NO3S2
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| Molecular Weight |
319.407
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| Canonical SMILES |
C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
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| 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-
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| InChIKey |
CHNUOJQWGUIOLD-NFZZJPOKSA-N
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| CAS |
82159-09-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03217, ATP-binding cassette sub-family C member 2
Protein ID: PT03222, ATP-binding cassette sub-family C member 3
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Clinical Information about the Compound