| BioID | bio199472 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL160035 |
|---|
| 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 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Hydroxy(4-Nitrophenyl)Methyl)Acrylonitrile|2-[Hydroxy(4-Nitrophenyl)Methyl]Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1ccc([N+](=O)[O-])cc1 |
|---|
| Inchi | InChI=1S/C10H8N2O3/c1-7(6-11)10(13)8-2-4-9(5-3-8)12(14)15/h2-5,10,13H,1H2 |
|---|
| Inchi Key | KSSHQPCVMZULSQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 14.0 |
|---|
| Bioactivities | 65.0 |
|---|
| Np Likeness Score | -0.61 |
|---|
| Records Key | ['4', '3', '15', '3'] |
|---|
| Records Name | ['2-[Hydroxy-(4-nitro-phenyl)-methyl]-acrylonitrile', '2-[Hydroxy(4-nitrophenyl)methyl]acrylonitrile', '2-(hydroxy(4-nitrophenyl)methyl)acrylonitrile', '2-(hydroxy(4-nitrophenyl)methyl)acrylonitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
