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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL209823
CHEMBL209823
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H11FN2O2

Additional synonyms for CHEMBL209823 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c3cc4c(F)cccc4[nH]3
Standard InChI InChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22) ...
Download InChI
Standard InChI Key PSNYTMURLBIIQI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL209823

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
294.3 294.0805 3.72 2 68.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.57 - 4.58 4.58 4 22 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL209823. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PSNYTMURLBIIQI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL209823



BindingDB 50187365
PubChem 11558401
PubChem: Thomson Pharma 16660624
ZINC ZINC000013703746

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