| BioID | bio197613 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL309598 |
|---|
| Molecular Formula | C10H6N2O4 |
|---|
| Molecular Weight | 218.17 |
|---|
| Molecular Weight (Monoisotopic) | 218.0328 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Hydroxy(3,4,5-Trihydroxyphenyl)Methylene)Malononitrile |
|---|
| Smiles | N#CC(C#N)=C(O)c1cc(O)c(O)c(O)c1 |
|---|
| Inchi | InChI=1S/C10H6N2O4/c11-3-6(4-12)9(15)5-1-7(13)10(16)8(14)2-5/h1-2,13-16H |
|---|
| Inchi Key | VSCANEKTHPFSLU-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 0.72 |
|---|
| Records Key | ['44', '118'] |
|---|
| Records Name | ['2-[Hydroxy-(3,4,5-trihydroxy-phenyl)-methylene]-malononitrile', '2-(hydroxy(3,4,5-trihydroxyphenyl)methylene)malononitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
