| BioID | bio197736 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL227693 |
|---|
| Molecular Formula | C12H13NO3 |
|---|
| Molecular Weight | 219.24 |
|---|
| Molecular Weight (Monoisotopic) | 219.0895 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-((2,5-Dimethoxyphenyl)(Hydroxy)Methyl)Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1cc(OC)ccc1OC |
|---|
| Inchi | InChI=1S/C12H13NO3/c1-8(7-13)12(14)10-6-9(15-2)4-5-11(10)16-3/h4-6,12,14H,1H2,2-3H3 |
|---|
| Inchi Key | QRUSKTSIVKHBRI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.05 |
|---|
| Records Key | ['11'] |
|---|
| Records Name | ['2-((2,5-dimethoxyphenyl)(hydroxy)methyl)acrylonitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
