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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118663
CHEMBL118663
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H50N.Cl

Additional synonyms for CHEMBL118663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
Standard InChI InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17- ...
Download InChI
Standard InChI Key SFVFIFLLYFPGHH-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118663

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
388.7 388.3943 8.26 19 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.92 3.92 1 28 0.17

Structural Alerts

There are 13 structural alerts for CHEMBL118663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFVFIFLLYFPGHH-UHFFFAOYSA-M
PubChem SID: 144207617

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118663



ACToR 50957-62-5 122-19-0
eMolecules 479282
EPA CompTox Dashboard DTXSID2025139
FDA SRS 0OUO26BB88
MolPort MolPort-003-926-077
PubChem 31204
PubChem: Thomson Pharma 14929595
SureChEMBL SCHEMBL23690

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SFVFIFLLYFPGHH-UHFFFAOYSA-M spacer
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