| BioID | bio198296 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1927667 |
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| Molecular Formula | C16H18N4O2S |
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| Molecular Weight | 330.41 |
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| Molecular Weight (Monoisotopic) | 330.115 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 8-[(2-Phenylethyl)Sulfanyl]Caffeine|8-[(Phenylethyl)Sulfanyl]Caffeine |
|---|
| Smiles | Cn1c(=O)c2c(nc(SCCc3ccccc3)n2C)n(C)c1=O |
|---|
| Inchi | InChI=1S/C16H18N4O2S/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
|---|
| Inchi Key | BZPSFTGQEZGZRX-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 4.0 |
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| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -1.53 |
|---|
| Records Key | ['1a', '3c'] |
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| Records Name | ['8-[(Phenylethyl)sulfanyl]caffeine', '8-[(2-Phenylethyl)sulfanyl]caffeine'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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