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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL140277
CHEMBL140277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26FNO3

Additional synonyms for CHEMBL140277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CF)N1CCC(CC1)OC(=O)C(O)(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C22H26FNO3/c1-17(16-23)24-14-12-20(13-15-24)27-21(2 ...
Download InChI
Standard InChI Key QWPPCJAQJNIVOY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL140277

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
371.5 371.1897 3.29 6 49.77 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 7.53 2.92 2.55 2 27 0.79

Structural Alerts

There are 4 structural alerts for CHEMBL140277. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QWPPCJAQJNIVOY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL140277



Nikkaji J1.446.156F
PubChem 10761745
PubChem: Thomson Pharma 15799220

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