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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL112817
CHEMBL112817
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H20FNO2

Additional synonyms for CHEMBL112817 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1(CCN(C)CC1)c2ccc(F)cc2
Standard InChI InChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4- ...
Download InChI
Standard InChI Key CHOQGLPFQOQESN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL112817

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
265.3 265.1478 2.65 4 29.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.63 2.47 2.04 1 19 0.78

Structural Alerts

There are 2 structural alerts for CHEMBL112817. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CHOQGLPFQOQESN-UHFFFAOYSA-N
Wikipedia 4-Fluoropethidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL112817



BindingDB 50083529
IBM Patent System B34B0116AD2615D23913AC905E888099
Nikkaji J1.222.580F
PubChem 11184669
PubChem: Thomson Pharma 16265466
SureChEMBL SCHEMBL13284143
ZINC ZINC000013610045

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