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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL110948
CHEMBL110948
Compound Name
ChEMBL Synonyms QF-0610B
Max Phase 0
Trade Names
Molecular Formula C22H23FN2O2S

Additional synonyms for CHEMBL110948 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2c(noc2c1)C3CCN(CCC4CCc5sccc5C4=O)CC3
Standard InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14- ...
Download InChI
Standard InChI Key YXDUNIOKKMVMKO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL110948

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
398.5 398.1464 5.04 4 46.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.31 3.09 2.14 3 28 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL110948. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YXDUNIOKKMVMKO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL110948



BindingDB 50409515
Nikkaji J1.158.492F
PubChem 10367486
PubChem: Thomson Pharma 15701281

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