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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL182412
CHEMBL182412
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14F3NO2

Additional synonyms for CHEMBL182412 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(c1)N2C(=O)[C@@H]3C4CCC(C=C4)[C@@H]3C2=O
Standard InChI InChI=1S/C17H14F3NO2/c18-17(19,20)11-2-1-3-12(8-11)21-15(22) ...
Download InChI
Standard InChI Key QCKPIKBKCZBMEY-SUBVLCJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL182412

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
321.3 321.0977 3.41 1 37.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.21 4.21 1 23 0.59

Structural Alerts

There are 5 structural alerts for CHEMBL182412. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QCKPIKBKCZBMEY-SUBVLCJKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL182412



PubChem 44392288

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