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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL562244
CHEMBL562244
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24N2O

Additional synonyms for CHEMBL562244 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC(CCN1)C(Oc2ccccc2c3ccccc3)c4cccnc4
Standard InChI InChI=1S/C23H24N2O/c1-2-7-18(8-3-1)21-10-4-5-11-22(21)26-23( ...
Download InChI
Standard InChI Key ORQNDGDHUCGODU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL562244

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
344.5 344.1889 3.95 5 34.15 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.16 3.79 1.18 3 26 0.76

Structural Alerts

There are no structural alerts for CHEMBL562244

Compound Cross References

ChemSpider ChemSpider:ORQNDGDHUCGODU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL562244



BindingDB 50294264
PubChem 44188274
PubChem: Thomson Pharma 85183915

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