Dataset
![molecular Image]()
PHIP
Chemical Info
| InChI | InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16) |
|---|---|
| SMILES | CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1 |
| InChI Key | UQVKZNNCIHJZLS-UHFFFAOYSA-N |
| Molecular Formula | C13H12N4 |
| Exact Mass | 224.106 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229357 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T10:01:35.959394 |
| MetadataModified | 2025-02-08T19:04:14.833091 |
| MetadataPublished | 2019-03-22 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1213271 | ChEMBL |
| DB08398 | DrugBank |
| PIQ | PDBe |
| C16038 | KEGG Ligand |
| 228873 | Brenda |
| J258.694K | Nikkaji |
| DTXSID3037628 | EPA CompTox Dashboard |
| HY-118716 | MedChemExpress |
| 228874 | Brenda |
| CB4716839 | ChemicalBook |
| ZINC000001850101 | ZINC |
| 76290 | ChEBI |
| SCHEMBL151718 | SureChEMBL |
| 33683 | Brenda |
| HMDB0041008 | Human Metabolome Database |
| 909C6UN66T | FDA SRS |
| PD004436 | ProbesDrugs |
| 105650-23-5 | ACToR |
| 1530 | PubChem |
| 14773663 | PubChem: Thomson Pharma |
| 917825 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |