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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418324
CHEMBL418324
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11F3N2O3

Additional synonyms for CHEMBL418324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(N)c(F)c3
Standard InChI InChI=1S/C16H11F3N2O3/c1-23-16-12(18)14(21)11-9(22)5-10(24-1 ...
Download InChI
Standard InChI Key FFVSQFTYPNKKQL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL418324

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
336.3 336.0722 2.24 2 87.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.58 3.13 3.13 2 24 0.82

Structural Alerts

There are 5 structural alerts for CHEMBL418324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFVSQFTYPNKKQL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418324



IBM Patent System 77CBEF56BBFF0C754A6E248454B1692A
PubChem 10497067
PubChem: Thomson Pharma 15521957
SureChEMBL SCHEMBL8367339
ZINC ZINC000101468889

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