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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1308019
CHEMBL1308019
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14FNO2

Additional synonyms for CHEMBL1308019 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)\C=C/NCC(=O)c2ccccc2
Standard InChI InChI=1S/C17H14FNO2/c18-15-8-6-14(7-9-15)16(20)10-11-19-12-1 ...
Download InChI
Standard InChI Key PRZDHRXJWNVQAG-KHPPLWFESA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1308019

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
283.3 283.1009 2.99 6 46.17 NEUTRAL


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
- 2.23 3.37 3.37 2 21 0.65

Structural Alerts

There are 4 structural alerts for CHEMBL1308019. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRZDHRXJWNVQAG-KHPPLWFESA-N
PubChem SID: 17412881

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1308019



eMolecules 25893951
MolPort MolPort-002-178-376
PubChem 5728143
ZINC ZINC000017489032

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