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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324929
CHEMBL2324929
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H27F3N8O

Additional synonyms for CHEMBL2324929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F) ...
Download SMILES
Standard InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13- ...
Download InChI
Standard InChI Key SWWHQLAUNHTMIH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324929

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
512.5 512.226 3.73 7 104.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.05 7.55 1.97 1.57 3 37 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL2324929. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SWWHQLAUNHTMIH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324929



BindingDB 50427743
PubChem 71605226
PubChem: Thomson Pharma 163689668
SureChEMBL SCHEMBL19317676
ZINC ZINC000095581843

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