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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL206224
CHEMBL206224
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16FNOS

Additional synonyms for CHEMBL206224 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)c2ccc(s2)c3ccc(NCCF)cc3
Standard InChI InChI=1S/C18H16FNOS/c19-11-12-20-15-5-1-13(2-6-15)17-9-10-18 ...
Download InChI
Standard InChI Key IURBGMBXCPTTCR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL206224

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
313.4 313.0937 5.17 5 32.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 2 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.39 2.98 4.22 4.21 3 22 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL206224. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IURBGMBXCPTTCR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL206224



BindingDB 50178546
PubChem 11623805
PubChem: Thomson Pharma 16726808
ZINC ZINC000028571835

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