Purine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17258 | |
|---|---|---|
| ChEMBL: | CHEMBL302239 | |
| PubChem: | 1044 | |
| IUPAC: | 7H-purine | |
| Standard InChI: | InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) | |
| Standard InChI Key: | KDCGOANMDULRCW-UHFFFAOYSA-N | |
| SMILES: | c1ncc2c(n1)[nH]cn2 | |
Molecular propeties
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| AlogP: | 0.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 120.04 | |
| Topological polar surface area: | 54.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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