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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL425867
CHEMBL425867
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26N2O

Additional synonyms for CHEMBL425867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc4ccccc14
Standard InChI InChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24 ...
Download InChI
Standard InChI Key XBLBQWNQIGPMRE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL425867

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 3.94 4 23.55 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.78 1.87 1.7 2 25 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL425867. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XBLBQWNQIGPMRE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL425867



BindingDB 50159009
PubChem 11407133

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