| BioID | bio200352 |
|---|
| Name | ALADORIAN SODIUM |
|---|
| ChEMBL ID | CHEMBL2105757 |
|---|
| Molecular Formula | C12H12NNaO4S |
|---|
| Molecular Weight | 289.29 |
|---|
| Molecular Weight (Monoisotopic) | 267.0565 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | ALADORIAN SODIUM|ARM-036 NA|ARM036NA|S-36 NA|S-44121-2|S36NA|S44121-2 |
|---|
| Smiles | COc1ccc2c(c1)CN(C(=O)C(=O)[O-])CCS2.[Na+] |
|---|
| Inchi | InChI=1S/C12H13NO4S.Na/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16;/h2-3,6H,4-5,7H2,1H3,(H,15,16);/q;+1/p-1 |
|---|
| Inchi Key | OUNBYSZUAWDKLT-UHFFFAOYSA-M |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.94 |
|---|
| Records Key | ['ALADORIAN SODIUM', 'ARM036, S36; Na'] |
|---|
| Records Name | ['ALADORIAN SODIUM', 'sodium 2-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)-2-oxoacetate'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
