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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324174
CHEMBL2324174
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H22FNO

Additional synonyms for CHEMBL2324174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(F)ccc1CNC23CC4CC(CC(C4)C2)C3
Standard InChI InChI=1S/C17H22FNO/c18-15-2-1-14(16(20)6-15)10-19-17-7-11-3- ...
Download InChI
Standard InChI Key CAFMEFBXDAOXDX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324174

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
275.4 275.1685 3.59 3 32.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.1 10.47 3.77 1.35 1 20 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL2324174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CAFMEFBXDAOXDX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324174



PubChem 71606708
SureChEMBL SCHEMBL15013968
ZINC ZINC000095582191

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