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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282822
CHEMBL282822
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26N2O

Additional synonyms for CHEMBL282822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N(CCCCN2CCC(C2)c3ccccc3)Cc4ccccc14
Standard InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6 ...
Download InChI
Standard InChI Key ILQNTXCJQDSEDV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL282822

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
334.5 334.2045 3.91 6 23.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.93 3.06 .66 2 25 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL282822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ILQNTXCJQDSEDV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282822



BindingDB 50077662
Nikkaji J1.110.889J
PubChem 44278364

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