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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL164471
CHEMBL164471
Compound Name
ChEMBL Synonyms QF-0703B
Max Phase 0
Trade Names
Molecular Formula C22H23FN2O3

Additional synonyms for CHEMBL164471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2c(noc2c1)C3CCN(CCC4CCc5occc5C4=O)CC3
Standard InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5 ...
Download InChI
Standard InChI Key QKOGDLJCRXBSED-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL164471

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
382.4 382.1693 4.57 4 59.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.34 2.51 1.53 3 28 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL164471. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QKOGDLJCRXBSED-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL164471



BindingDB 50409500
PubChem 10022781
PubChem: Thomson Pharma 15004242

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