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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL86187
CHEMBL86187
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23ClO4

Additional synonyms for CHEMBL86187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O
Standard InChI InChI=1S/C19H23ClO4/c1-2-3-4-5-6-7-10-23-18(21)16-12-15-11-1 ...
Download InChI
Standard InChI Key QBIUXXRPYQBUDC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL86187

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
350.8 350.1285 5.05 9 56.51 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.1 6.1 2 24 0.27

Structural Alerts

There are 20 structural alerts for CHEMBL86187. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBIUXXRPYQBUDC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL86187



Nikkaji J751.504I
PubChem 10760355
PubChem: Thomson Pharma 15797771
ZINC ZINC000043284783

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