Dataset
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Bicalutamide
Chemical Info
| InChI | InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) |
|---|---|
| SMILES | CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F |
| InChI Key | LKJPYSCBVHEWIU-UHFFFAOYSA-N |
| Molecular Formula | C18H14F4N2O4S |
| Exact Mass | 430.061 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00280905 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T09:32:47.305589 |
| MetadataModified | 2025-02-09T09:32:47.517223 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SAM001246612 | NIH Clinical Collection |
| 12014029 | PubChem: Drugs of the Future |
| DB01128 | DrugBank |
| CHEMBL409 | ChEMBL |
| 18525 | BindingDB |
| J636.420I | Nikkaji |
| CASODEX | rxnorm |
| BICALUTAMIDE | rxnorm |
| ICI176,334-1 | clinicaltrials |
| BICALUTAMIDE | clinicaltrials |
| CASODEX | clinicaltrials |
| ICI 176,334 | clinicaltrials |
| ICI-176334 | clinicaltrials |
| HY-14249 | MedChemExpress |
| A0Z3NAU9DP | FDA SRS |
| DTXSID2022678 | EPA CompTox Dashboard |
| 367 | DrugCentral |
| BICALUTAMIDE | DailyMed |
| 2863 | Guide to Pharmacology |
| 144093 | ChEBI |
| PA164746255 | PharmGKB |
| HMDB0015260 | Human Metabolome Database |
| bicalutamide | DailyMed |
| CB7457827 | ChemicalBook |
| 14807515 | PubChem: Thomson Pharma |
| 2375 | PubChem |
| PD000730 | ProbesDrugs |
| LSM-1437 | LINCS |
| SCHEMBL3611 | SureChEMBL |
| Bicalutamide(Casodex) | Selleck |
| bicalutamide | Atlas |
| 901471 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |