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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL211766
CHEMBL211766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H21NO2

Additional synonyms for CHEMBL211766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccc2c(C3CCCCC3)c(cn2c1)c4ccccc4
Standard InChI InChI=1S/C21H21NO2/c23-21(24)17-11-12-19-20(16-9-5-2-6-10-16 ...
Download InChI
Standard InChI Key QTRMFVAMRMWLMN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL211766

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
319.4 319.1572 4.86 3 41.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.35 - 6.44 3.3 3 24 0.75

Structural Alerts

There are no structural alerts for CHEMBL211766

Compound Cross References

ChemSpider ChemSpider:QTRMFVAMRMWLMN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL211766



BindingDB 50187135
PubChem 16072892
ZINC ZINC000035001690

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