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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1886718
CHEMBL1886718
Compound Name FLUFENACET
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13F4N3O2S

Additional synonyms for CHEMBL1886718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2
Standard InChI InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7- ...
Download InChI
Standard InChI Key IANUJLZYFUDJIH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1886718

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
363.3 363.0665 3.52 5 55.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .31 3.2 3.2 2 24 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL1886718. To view alerts please click here.

Compound Cross References

HRAC K3 - INHIBITION OF VLCFAS (INHIBITION OF CELL DIVISION)
K34 - OXYACETAMIDE
K341 - FLUFENACET
ChemSpider ChemSpider:IANUJLZYFUDJIH-UHFFFAOYSA-N
PubChem SID: 144211390 SID: 26757733

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1886718



ACToR 142459-58-3
Brenda 169905
ChEBI 81920
eMolecules 511218
EPA CompTox Dashboard DTXSID2032552
FDA SRS OL44PP5145
IBM Patent System 51CEB279305A4071A1FD0D96B21C2F29
KEGG Ligand C18731
MolPort MolPort-003-933-780
Nikkaji J658.585J
PubChem 86429
PubChem: Thomson Pharma 16208633
SureChEMBL SCHEMBL116467
ZINC ZINC000002383330

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