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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223836
CHEMBL223836
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H17FN2O

Additional synonyms for CHEMBL223836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccccc1c2cccc(F)c2)C3=NCCN3
Standard InChI InChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15( ...
Download InChI
Standard InChI Key OOYTZYZXCMCMSZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL223836

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
284.3 284.1325 3.26 4 33.62 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.91 3.69 1.8 2 21 0.93

Structural Alerts

There are no structural alerts for CHEMBL223836

Compound Cross References

ChemSpider ChemSpider:OOYTZYZXCMCMSZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223836



BindingDB 50002903
PubChem 11211035
PubChem: Thomson Pharma 16401222

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