ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324928
CHEMBL2324928
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H26F3N7O

Additional synonyms for CHEMBL2324928 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cccnc4)n(C)n3)cc2C(F)(F)F)CC1
Standard InChI InChI=1S/C25H26F3N7O/c1-33-10-12-35(13-11-33)17-19-6-7-20(14 ...
Download InChI
Standard InChI Key NWKLIKWHLFEAFY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324928

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
497.5 497.2151 3.93 7 78.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.04 7.55 2.27 1.88 3 36 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL2324928. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NWKLIKWHLFEAFY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324928



BindingDB 50427744
PubChem 71605225
PubChem: Thomson Pharma 163689667
SureChEMBL SCHEMBL19317674
ZINC ZINC000095585572

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