| BioID | bio197108 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2012668 |
|---|
| Molecular Formula | C12H13N5O2S |
|---|
| Molecular Weight | 291.34 |
|---|
| Molecular Weight (Monoisotopic) | 291.079 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 4'-ethynyl-4'-thio-2'-deoxyadenosine |
|---|
| Smiles | C#C[C@]1(CO)S[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O |
|---|
| Inchi | InChI=1S/C12H13N5O2S/c1-2-12(4-18)7(19)3-8(20-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,5-8,18-19H,3-4H2,(H2,13,14,15)/t7-,8+,12+/m0/s1 |
|---|
| Inchi Key | UJXHMQHTBRBLIZ-JOAULVNJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 18.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | 0.42 |
|---|
| Records Key | [41, 4'-ethynyl-4'-thio-2'-deoxyadenosine"]" |
|---|
| Records Name | ['9-[2-Deoxy-4-ethynyl-4-thio-beta-D-erythro-pentofuranosyl]adenine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
