Bioactive Compound Details
| BioID | bio198960 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1927668 |
| Molecular Formula | C16H18N4O3S |
| Molecular Weight | 346.41 |
| Molecular Weight (Monoisotopic) | 346.11 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 8-[(2-Phenoxyethyl)Sulfanyl]Caffeine |
| Smiles | Cn1c(=O)c2c(nc(SCCOc3ccccc3)n2C)n(C)c1=O |
| Inchi | InChI=1S/C16H18N4O3S/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-10-9-23-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| Inchi Key | MBWPYWXSJLMKGV-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -1.74 |
| Records Key | ['3d'] |
| Records Name | ['8-[(2-Phenoxyethyl)sulfanyl]caffeine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
