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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142343
CHEMBL142343
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H26N2O2

Additional synonyms for CHEMBL142343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)NCC1CCCc2c1c3cc(OC)ccc3n2C
Standard InChI InChI=1S/C19H26N2O2/c1-4-6-18(22)20-12-13-7-5-8-17-19(13)15- ...
Download InChI
Standard InChI Key VQIPBUUNMHLVAZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142343

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
314.4 314.1994 3.52 5 43.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.4 3.4 2 23 0.92

Structural Alerts

There are 1 structural alerts for CHEMBL142343. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQIPBUUNMHLVAZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142343



PubChem 10543296
PubChem: Thomson Pharma 15570081

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