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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324925
CHEMBL2324925
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26F3N9O

Additional synonyms for CHEMBL2324925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F) ...
Download SMILES
Standard InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13- ...
Download InChI
Standard InChI Key WCWDBZHYAHZGNZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324925

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
537.6 537.2212 3.27 4 95.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.04 7.54 .69 .29 4 39 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL2324925. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WCWDBZHYAHZGNZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324925



BindingDB 50427748
Nikkaji J3.210.760E
PubChem 71605048
PubChem: Thomson Pharma 163689489
SureChEMBL SCHEMBL19317677
ZINC ZINC000095583238

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