compound 21n [PMID: 17656086]

chemical compound

ChemicalSubstance group_of_stereoisomers Q27076420

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Key Facts

Canonical SMILES: CCN(C1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC^[1]
Chemical formula: C₃₀H₃₆FN₅O₃S₂^[2]
Subclass of: 17656086] — subclass of (P279): chemical compound^[3]
Isomeric SMILES: CCN([C@@H]1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC^[4]
Mass: 597.22436 dalton^[5]

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CCN(C1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC

Chemical formula C₃₀H₃₆FN₅O₃S₂

Isomeric smiles CCN([C@@H]1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC

Mass +597.22436

External References (9)

Chembl id CHEMBL235920

Chemspider id 30787589

Guide to pharmacology ligand id 8750

Inchi InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1

Inchikey YCOQGGMZWKBBGI-UIDYPRJRSA-N

Probes and drugs id PD051265

Pubchem cid 24825377

Surechembl id 14288119

Unichem compound id 60481

🏷️ Also known as

en compound 21n [PMID: 17656086]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[1] ↑ compound 21n [PMID: 17656086] — canonical SMILES (P233): CCN(C1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC. PubChem. Retrieved 2016-10-03. wikidata.org.
[2] ↑ compound 21n [PMID: 17656086] — chemical formula (P274): C₃₀H₃₆FN₅O₃S₂. PubChem. Retrieved 2016-10-03. wikidata.org.
[3] ↑ compound 21n [PMID: 17656086] — subclass of (P279): chemical compound. wikidata.org.
[4] ↑ compound 21n [PMID: 17656086] — isomeric SMILES (P2017): CCN([C@@H]1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3)C4=CC=CS4)C5=CC=C(C=C5)OC. PubChem. Retrieved 2016-10-03. wikidata.org.
[5] ↑ compound 21n [PMID: 17656086] — mass (P2067): 597.22436 dalton. PubChem. Retrieved 2016-10-03. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA

4ort.xyz Knowledge Graph. (2026). compound 21n [PMID: 17656086]. Retrieved May 3, 2026, from https://4ort.xyz/entity/compound-21n-pmid-17656086-

MLA

“compound 21n [PMID: 17656086].” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/compound-21n-pmid-17656086-.

BibTeX

@misc{4ortxyz_compound-21n-pmid-17656086-_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{compound 21n [PMID: 17656086]}}, year = {2026}, url = {https://4ort.xyz/entity/compound-21n-pmid-17656086-}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): compound 21n [PMID: 17656086] — https://4ort.xyz/entity/compound-21n-pmid-17656086- (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/compound-21n-pmid-17656086- · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

16w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Isomeric smiles → CCN([C@@H]1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(N=C(N3

Chembl id → CHEMBL235920

Subclass of → chemical compound

Chemical formula → C₃₀H₃₆FN₅O₃S₂

+ 13 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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