| BioID | bio199659 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL449691 |
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| Molecular Formula | C10H8N2O3 |
|---|
| Molecular Weight | 204.19 |
|---|
| Molecular Weight (Monoisotopic) | 204.0535 |
|---|
| 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 | 2-(Hydroxy(2-Nitrophenyl)Methyl)Acrylonitrile|2-[Hydroxy(2-Nitrophenyl)Methyl]Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1ccccc1[N+](=O)[O-] |
|---|
| Inchi | InChI=1S/C10H8N2O3/c1-7(6-11)10(13)8-4-2-3-5-9(8)12(14)15/h2-5,10,13H,1H2 |
|---|
| Inchi Key | ZQZVKSQUPWEOJT-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.62 |
|---|
| Records Key | ['1', '16', '23'] |
|---|
| Records Name | ['2-[Hydroxy(2-nitrophenyl)methyl]acrylonitrile', '2-(hydroxy(2-nitrophenyl)methyl)acrylonitrile', '2-(Hydroxy(2-nitrophenyl)methyl)acrylonitrile'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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