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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7322
CHEMBL7322
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25NO5

Additional synonyms for CHEMBL7322 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CCNCC(O)C(=O)Oc2ccccc2C)cc1OC
Standard InChI InChI=1S/C20H25NO5/c1-14-6-4-5-7-17(14)26-20(23)16(22)13-21- ...
Download InChI
Standard InChI Key QRHJQXLPEOKPSF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7322

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
359.4 359.1733 2.11 9 77.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.38 7.77 2.87 2.27 2 26 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL7322. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QRHJQXLPEOKPSF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7322



PubChem 44263997

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