Wikidata entity: Q8063128
C₁₆H₁₅N₇O₂ (P274)
Quantities
| P2067 | mass | 337.129 |
| P233 | canonical SMILES | String | C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC=C(C=C4)O)N | ??? |
| P31 | instance of | ... | Q113145171 (type of chemical entity) | type of chemical entity |
| P129 | physically interacts with | ... | Q3062781 (Adenosine A1 receptor) | Adenosine A1 receptor |
| P129 | physically interacts with | ... | Q21116154 (Adenosine A3 receptor) | Adenosine A3 receptor |
| P129 | physically interacts with | ... | Q21116162 (Adenosine A2a receptor) | Adenosine A2a receptor |
| P129 | physically interacts with | ... | Q21116164 (Adenosine A2b receptor) | Adenosine A2b receptor |
| P279 | subclass of | ... | Q11173 (chemical compound) | chemical compound |
| P231 | CAS Registry Number | 139180-30-6 |
| P683 | ChEBI ID | 92361 |
| P592 | ChEMBL ID | CHEMBL113142 |
| P661 | ChemSpider ID | 153646 |
| P715 | DrugBank ID | DB08770 |
| P8494 | DSSTOX compound identifier | DTXCID7083445 |
| P3117 | DSSTox substance ID | DTXSID80160954 |
| P232 | EC number | 689-671-4 |
| P2566 | ECHA Substance Infocard ID | 100.216.533 |
| P646 | Freebase ID | /m/04q7jct |
| P595 | Guide to Pharmacology Ligand ID | 405 |
| P2057 | Human Metabolome Database ID | HMDB0244568 |
| P234 | InChI | InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) |
| P235 | InChIKey | PWTBZOIUWZOPFT-UHFFFAOYSA-N |
| P6366 | Microsoft Academic ID (discontinued) | 2776015576 |
| P3636 | PDB ligand ID | ZMA |
| P638 | PDB structure ID | 3VG9 |
| P638 | PDB structure ID | 5K2B |
| P638 | PDB structure ID | 5IU4 |
| P638 | PDB structure ID | 5K2C |
| P638 | PDB structure ID | 3PWH |
| P638 | PDB structure ID | 3EML |
| P638 | PDB structure ID | 3VGA |
| P638 | PDB structure ID | 4EIY |
| P638 | PDB structure ID | 5K2D |
| P638 | PDB structure ID | 5K2A |
| P11199 | Probes And Drugs ID | PD004548 |
| P662 | PubChem CID | 176407 |
| P2877 | SureChEMBL ID | 194966 |
| P11089 | UniChem compound ID | 27352 |
| P652 | UNII | 5NIC36BO71 |
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