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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26039
CHEMBL26039
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26F2N6O4

Additional synonyms for CHEMBL26039 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)Cn1c2ccc(cc2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c13)[N ...
Download SMILES
Standard InChI InChI=1S/C26H26F2N6O4/c1-2-38-23(35)15-33-22-6-4-18(34(36)37 ...
Download InChI
Standard InChI Key WDEYYJCTUQWQCT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL26039

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
524.5 524.1984 3.7 8 106.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 0 1 10 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.68 4.82 4.77 4 38 0.2

Structural Alerts

There are 6 structural alerts for CHEMBL26039. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDEYYJCTUQWQCT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26039



BindingDB 50140870
PubChem 11179994
PubChem: Thomson Pharma 16260247
SureChEMBL SCHEMBL6827099
ZINC ZINC000013559667

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