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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL320168
CHEMBL320168
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H22FNO2

Additional synonyms for CHEMBL320168 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(CCCOc2c(C)cc(cc2C)c3cccc(F)c3)on1
Standard InChI InChI=1S/C21H22FNO2/c1-14-10-18(17-6-4-7-19(22)13-17)11-15(2 ...
Download InChI
Standard InChI Key JZOMCWIDFPUMDU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL320168

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
339.4 339.1635 5.42 6 35.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.98 5.98 3 25 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL320168. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JZOMCWIDFPUMDU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL320168



Nikkaji J687.346D
PubChem 515997
PubChem: Thomson Pharma 15495818
ZINC ZINC000003590504

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