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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL566533
CHEMBL566533
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28ClN3O3

Additional synonyms for CHEMBL566533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c4cccc(Cl)c4)ccc2[nH]1
Standard InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-16-18-15-21(7-8-22(18 ...
Download InChI
Standard InChI Key QSFMQTFAVWMEGW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL566533

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
442 441.1819 5.1 9 57.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.37 3.86 3.72 3 31 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL566533. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSFMQTFAVWMEGW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL566533



BindingDB 50300166
PubChem 45112462
PubChem: Thomson Pharma 92301396
ZINC ZINC000045253106

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