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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324930
CHEMBL2324930
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H27F3N6O

Additional synonyms for CHEMBL2324930 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(c3)C#Cc4cnc5cccnn4 ...
Download SMILES
Standard InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27- ...
Download InChI
Standard InChI Key SQJDLYFEJSIHPR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324930

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
532.6 532.2198 4.88 7 65.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.7 7.54 4.75 4.36 4 39 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL2324930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SQJDLYFEJSIHPR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324930



BindingDB 50427742
IBM Patent System 7FB5E93369368378B6A5B598AA0F6BB1
PubChem 24826798
PubChem: Thomson Pharma 49848163
SureChEMBL SCHEMBL591027
ZINC ZINC000095585128

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