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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL323427
CHEMBL323427
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H32Cl2O5

Additional synonyms for CHEMBL323427 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCCCC=C(c1cc(Cl)c(OC)c(COC)c1)c2cc(Cl)c(OC)c(COC)c2
Standard InChI InChI=1S/C25H32Cl2O5/c1-28-10-8-6-7-9-21(17-11-19(15-29-2)24 ...
Download InChI
Standard InChI Key HCEPQVVZEUZILC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL323427

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
483.4 482.1627 6.55 13 46.15 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.95 5.95 2 32 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL323427. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HCEPQVVZEUZILC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL323427



PubChem 3009432
PubChem: Thomson Pharma 16578015
ZINC ZINC000026848480

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