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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284004
CHEMBL284004
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H22N2

Additional synonyms for CHEMBL284004 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCC(CCc2c[nH]c3ccccc23)CC1
Standard InChI InChI=1S/C16H22N2/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3- ...
Download InChI
Standard InChI Key AWLCIMZPQABRPU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284004

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
242.4 242.1783 3.44 3 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
- 9.6 3.66 1.51 2 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL284004

Compound Cross References

ChemSpider ChemSpider:AWLCIMZPQABRPU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284004



BindingDB 50029152
PubChem 12674088
ZINC ZINC000028758070

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