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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324932
CHEMBL2324932
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H18F3N5O

Additional synonyms for CHEMBL2324932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc4cncnc4
Standard InChI InChI=1S/C25H18F3N5O/c1-17-2-7-22(10-19(17)4-3-18-12-30-15-3 ...
Download InChI
Standard InChI Key FRSWPGKMMGVEGT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324932

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
461.5 461.1463 4.7 4 72.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.66 6.55 4.64 4.59 4 34 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL2324932. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRSWPGKMMGVEGT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324932



BindingDB 50427740
PubChem 71605408
PubChem: Thomson Pharma 163689853
SureChEMBL SCHEMBL19317720
ZINC ZINC000095582990

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