Dataset
Imazaquin
Chemical Info
InChI | InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) |
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SMILES | OC(=O)c(c2)c(nc(c3)c(ccc3)2)C(N1)=NC(C)(C(C)C)C(=O)1 |
InChI Key | CABMTIJINOIHOD-UHFFFAOYSA-N |
Molecular Formula | C17H17N3O3 |
Exact Mass | 311.127 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-WA000188 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:01.654950 |
MetadataModified | 2024-01-11T22:50:01.808948 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1447880 | ChEMBL |
C05076 | KEGG Ligand |
502856 | eMolecules |
54739 | PubChem |
124344774 | PubChem: Thomson Pharma |
PD039691 | ProbesDrugs |
SCHEMBL18804 | SureChEMBL |
81335-37-7 | ACToR |
4296 | Brenda |
CB4212023 | ChemicalBook |
HY-W040189 | MedChemExpress |
8LZY7C31XA | FDA SRS |
DTXSID3024152 | EPA CompTox Dashboard |
147361 | ChEBI |
50486241 | BindingDB |
MolPort-000-774-505 | MolPort |
MCULE-5064495052 | Mcule |
MolPort-002-508-200 | MolPort |
J364.773K | Nikkaji |
The data in this table is sourced from UniChem at EBI. |