| BioID | bio197734 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL226711 |
|---|
| Molecular Formula | C13H16NO5P |
|---|
| Molecular Weight | 297.25 |
|---|
| Molecular Weight (Monoisotopic) | 297.0766 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3-(2-Cyanoacetyl)Phenyl Diethyl Phosphate |
|---|
| Smiles | CCOP(=O)(OCC)Oc1cccc(C(=O)CC#N)c1 |
|---|
| Inchi | InChI=1S/C13H16NO5P/c1-3-17-20(16,18-4-2)19-12-7-5-6-11(10-12)13(15)8-9-14/h5-7,10H,3-4,8H2,1-2H3 |
|---|
| Inchi Key | QAKLCHHPNCSIJW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.57 |
|---|
| Records Key | ['5h'] |
|---|
| Records Name | ['3-(2-cyanoacetyl)phenyl diethyl Phosphate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
