| BioID | bio197122 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL449588 |
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| Molecular Formula | C18H16O2 |
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| Molecular Weight | 264.32 |
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| Molecular Weight (Monoisotopic) | 264.115 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 4-(2-Toluylethynyl)Dihydrocinnamic Acid |
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| Smiles | Cc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 |
|---|
| Inchi | InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20) |
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| Inchi Key | FODHWOBAQBTTFS-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 46.0 |
|---|
| Bioactivities | 131.0 |
|---|
| Np Likeness Score | -0.36 |
|---|
| Records Key | ['3, TUG-424', '20', '4, TUG-424', '10; TUG-424', 'TUG-424', '9, TUG-424', '19, TUG-424', '15; TUG-424', 'EUB0000959a', 'EUB0000959a', 'EUB0000959a', 'EUB0000959a'] |
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| Records Name | ['3-(4-(o-tolylethynyl)phenyl)propanoic acid', '3-(4-(o-Tolylethynyl)phenyl)propanoic acid', '4-(2-toluylethynyl)dihydrocinnamic acid', '3-(4-(o-tolylethynyl)phenyl)propanoic acid', '3-(4-(o-tolylethynyl)phenyl)propanoic acid', '3-(4-(o-tolylethynyl)phenyl)propanoic acid', '3-(4-(o-tolylethynyl)phenyl)propanoic acid', '3-(4-(o-tolylethynyl)phenyl)propanoic acid', 'CAY10587', 'CAY10587', 'CAY10587', 'CAY10587'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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