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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567689
CHEMBL567689
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28N2O2

Additional synonyms for CHEMBL567689 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc2c(C)cccc2n1Cc3ccc(CCC(=O)OCC)cc3
Standard InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)1 ...
Download InChI
Standard InChI Key QUBIVVJKQGLAJX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL567689

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
364.5 364.2151 4.84 8 44.12 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.61 5.87 5.86 3 27 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL567689. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QUBIVVJKQGLAJX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567689



BindingDB 50303982
PubChem 45488124
ZINC ZINC000045256399

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