ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL244106
CHEMBL244106
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H23F4N5O5

Additional synonyms for CHEMBL244106 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c ...
Download SMILES
Standard InChI InChI=1S/C26H23F4N5O5/c1-38-10-11-39-14-23(36)35-24-32-20-9- ...
Download InChI
Standard InChI Key NFUYWPLTEOKUJO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL244106

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
561.5 561.1635 5.76 10 126.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 2 10 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.36 4.75 4.42 4.41 4 40 0.14

Structural Alerts

There are 4 structural alerts for CHEMBL244106. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFUYWPLTEOKUJO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL244106



BindingDB 17823
IBM Patent System 0A075A486FB943ABFA5A625F3A222958
PubChem 10166498
PubChem: Thomson Pharma 29213117 15159651
SureChEMBL SCHEMBL5347954
ZINC ZINC000014965603

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