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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL17691
CHEMBL17691
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H44N4O10

Additional synonyms for CHEMBL17691 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCN(CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O) ...
Download SMILES
Standard InChI InChI=1S/C24H44N4O10/c1-2-3-4-5-6-7-8-25(15-20(29)30)9-10-26 ...
Download InChI
Standard InChI Key IYLSLQVYJFYPCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL17691

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
548.6 548.3057 -0.02 26 199.46 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 1 14 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.67 10.93 1.74 -4.2 0 38 0.09

Structural Alerts

There are 12 structural alerts for CHEMBL17691. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYLSLQVYJFYPCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL17691



PubChem 44271505
ZINC ZINC000043409176

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