Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H |
|---|---|
| SMILES | N#Cc1ccc(cc1)c1nc2c(s1)cccc2 |
| InChI Key | FOURLJNIFQPOFD-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2S |
| Exact Mass | 236.292 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FOURLJNIFQPOFD-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FOURLJNIFQPOFD-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T02:37:41.935244 |
| MetadataModified | 2024-09-07T17:14:07.371060 |
| MetadataPublished | 2020-02-28 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 50293117 | BindingDB |
| DTXSID70363755 | EPA CompTox Dashboard |
| ZINC000001433321 | ZINC |
| J1.777.974E | Nikkaji |
| CHEMBL462617 | ChEMBL |
| 1512656 | PubChem |
| PD148577 | ProbesDrugs |
| 15985449 | PubChem: Thomson Pharma |
| SCHEMBL6807684 | SureChEMBL |
| 17930-02-8 | ACToR |
| 4354047 | eMolecules |
| 26324 | Brenda |
| MCULE-8111520680 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |