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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL112817



BindinDB 50083529
IBM Patent System B34B0116AD2615D23913AC905E888099
IBM Patents WO2010081034A2 US20040106655 US20050245538 US7074794 US7060722
Nikkaji J1.222.580F
PubChem 11184669
PubChem: Thomson Pharma 16265466
SureChEMBL SCHEMBL13284143

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