Dataset
![molecular Image]()
Sulindac
Chemical Info
| InChI | InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
|---|---|
| SMILES | OC(=O)CC(=C(C)1)c(c3)c(ccc(F)3)C(=Cc(c2)ccc(S(C)=O)c2)1 |
| InChI Key | MLKXDPUZXIRXEP-MFOYZWKCSA-N |
| Molecular Formula | C20H17FO3S |
| Exact Mass | 356.088 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002492 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:27.141259 |
| MetadataModified | 2024-01-11T22:48:27.295154 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 50103504 | BindingDB |
| sulindac | DailyMed |
| CB3740374 | ChemicalBook |
| HMDB0014743 | Human Metabolome Database |
| 104047 | Brenda |
| 9352 | ChEBI |
| 2172 | Brenda |
| 184SNS8VUH | FDA SRS |
| LSM-43065 | LINCS |
| DTXSID4023624 | EPA CompTox Dashboard |
| 2534 | DrugCentral |
| 50012899 | BindingDB |
| 172615 | Brenda |
| HY-B0008 | MedChemExpress |
| SULINDAC | rxnorm |
| MK-231 | clinicaltrials |
| ARTRIBID | clinicaltrials |
| ARTHROCINE | clinicaltrials |
| SULINDAC | clinicaltrials |
| CLINORIL | clinicaltrials |
| SULINDAC | DailyMed |
| Sulindac(Clinoril) | Selleck |
| 1548887 | PubChem |
| DB00605 | DrugBank |
| 14828051 | PubChem: Thomson Pharma |
| PD001740 | ProbesDrugs |
| sulindac | Atlas |
| 32004-68-5 | ACToR |
| 38194-50-2 | ACToR |
| 9000-14-0 | ACToR |
| J3.501G | Nikkaji |
| 5425 | Guide to Pharmacology |
| SCHEMBL4202 | SureChEMBL |
| C01531 | KEGG Ligand |
| CHEMBL15770 | ChEMBL |
| SAM002554933 | NIH Clinical Collection |
| 594347 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |