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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL208221
CHEMBL208221
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H23ClN2O3

Additional synonyms for CHEMBL208221 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccc2c(c1)nc(c3ccc(OCc4cccc(Cl)c4)cc3)n2C5CCCC5
Standard InChI InChI=1S/C26H23ClN2O3/c27-20-5-3-4-17(14-20)16-32-22-11-8-18 ...
Download InChI
Standard InChI Key GGMAJVHFTDWJAA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL208221

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
446.9 446.1397 6.75 6 64.35 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.88 5.48 5.77 2.78 4 32 0.36

Structural Alerts

There are no structural alerts for CHEMBL208221

Compound Cross References

ChemSpider ChemSpider:GGMAJVHFTDWJAA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL208221



BindingDB 50181953
IBM Patent System 6DB31F4C23D9A22CDB2D9F67D414E778
PubChem 10204044
PubChem: Thomson Pharma 15202168
SureChEMBL SCHEMBL5517238
ZINC ZINC000036350373

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