| BioID | bio199544 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1927677 |
|---|
| Molecular Formula | C16H19N5O2 |
|---|
| Molecular Weight | 313.36 |
|---|
| Molecular Weight (Monoisotopic) | 313.1539 |
|---|
| 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)Amino]Caffeine |
|---|
| Smiles | Cn1c(=O)c2c(nc(NCCc3ccccc3)n2C)n(C)c1=O |
|---|
| Inchi | InChI=1S/C16H19N5O2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)17-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18) |
|---|
| Inchi Key | PDMRCZKKXHBCCP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.19 |
|---|
| Records Key | ['4c'] |
|---|
| Records Name | ['8-[(2-Phenylethyl)amino]caffeine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
