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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324927
CHEMBL2324927
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27F3N8O

Additional synonyms for CHEMBL2324927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F) ...
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Standard InChI InChI=1S/C27H27F3N8O/c1-35-11-13-37(14-12-35)18-19-6-7-20(15 ...
Download InChI
Standard InChI Key OZLFFPLKFGJQDT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324927

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
536.6 536.226 3.88 4 82.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.02 7.54 3.03 2.63 4 39 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL2324927. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZLFFPLKFGJQDT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324927



BindingDB 50427745
PubChem 71605224
PubChem: Thomson Pharma 163689666
SureChEMBL SCHEMBL19317675
ZINC ZINC000095582037

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