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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216439
CHEMBL216439
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H24N2

Additional synonyms for CHEMBL216439 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c4ccccc24
Standard InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(1 ...
Download InChI
Standard InChI Key XFZUOWZQZTZZCP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216439

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
304.4 304.1939 4.18 0 19.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.34 4.27 2.41 3 23 0.66

Structural Alerts

There are no structural alerts for CHEMBL216439

Compound Cross References

ChemSpider ChemSpider:XFZUOWZQZTZZCP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216439



BindingDB 50196235
PubChem 16090821
PubChem: Thomson Pharma 24736857
ZINC ZINC000035065224

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