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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1309243
CHEMBL1309243
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14FNO3

Additional synonyms for CHEMBL1309243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2CN(C(=O)c2c1OC)c3ccc(F)cc3
Standard InChI InChI=1S/C16H14FNO3/c1-20-13-8-3-10-9-18(12-6-4-11(17)5-7-12 ...
Download InChI
Standard InChI Key HUGQCGWAJKBREY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1309243

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
287.3 287.0958 3 3 38.77 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.11 2.11 2 21 0.87

Structural Alerts

There are no structural alerts for CHEMBL1309243

Compound Cross References

ChemSpider ChemSpider:HUGQCGWAJKBREY-UHFFFAOYSA-N
PubChem SID: 49666856

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1309243



eMolecules 2573346
Mcule MCULE-4054462715
MolPort MolPort-000-207-582
PubChem 718057
ZINC ZINC000000117175

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