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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2177257
CHEMBL2177257
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H26O4

Additional synonyms for CHEMBL2177257 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCc1cc(OC)c2C=C(Cc3ccccc3OC)C(=O)Oc2c1
Standard InChI InChI=1S/C23H26O4/c1-4-5-6-9-16-12-21(26-3)19-15-18(23(24)27 ...
Download InChI
Standard InChI Key VZYCAUIYIZSPQY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2177257

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
366.5 366.1831 6.11 8 44.76 -


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
- - 7.28 7.28 2 27 0.32

Structural Alerts

There are 6 structural alerts for CHEMBL2177257. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VZYCAUIYIZSPQY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2177257



BindingDB 50398229
PubChem 70677953
PubChem: Thomson Pharma 160643233
ZINC ZINC000095578651

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