| BioID | bio198057 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1569494 |
|---|
| Molecular Formula | C12H11NO6 |
|---|
| Molecular Weight | 265.22 |
|---|
| Molecular Weight (Monoisotopic) | 265.0586 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Dimethyl 2-(2-Nitrobenzylidene)Malonate |
|---|
| Smiles | COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OC |
|---|
| Inchi | InChI=1S/C12H11NO6/c1-18-11(14)9(12(15)19-2)7-8-5-3-4-6-10(8)13(16)17/h3-7H,1-2H3 |
|---|
| Inchi Key | LKLMASCOTOBEMT-UHFFFAOYSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 46.0 |
|---|
| Bioactivities | 65.0 |
|---|
| Np Likeness Score | -0.66 |
|---|
| Records Key | ['1, NCI126224', 'SID26664573', 'TableS15, Cpd16', '0126224:01'] |
|---|
| Records Name | ['Dimethyl 2-(2-nitrobenzylidene)malonate', 'SID26664573', 'dimethyl 2-(2-nitrobenzylidene)malonate', 'CO-ADD:0136388'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
