| BioID | bio197272 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2148186 |
|---|
| Molecular Formula | C12H13NO6 |
|---|
| Molecular Weight | 267.24 |
|---|
| Molecular Weight (Monoisotopic) | 267.0743 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Dimethyl 2-(2-Nitrobenzyl)Malonate |
|---|
| Smiles | COC(=O)C(Cc1ccccc1[N+](=O)[O-])C(=O)OC |
|---|
| Inchi | InChI=1S/C12H13NO6/c1-18-11(14)9(12(15)19-2)7-8-5-3-4-6-10(8)13(16)17/h3-6,9H,7H2,1-2H3 |
|---|
| Inchi Key | JTPCEKIPDRPTRV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -0.58 |
|---|
| Records Key | ['22'] |
|---|
| Records Name | ['Dimethyl 2-(2-nitrobenzyl)malonate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
