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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324924
CHEMBL2324924
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H27F3N6O

Additional synonyms for CHEMBL2324924 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cncc5nccn45)cc2C(F)(F) ...
Download SMILES
Standard InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-2 ...
Download InChI
Standard InChI Key VSJSIOZQNZPUAV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324924

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 4.46 4 65.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13 7.54 3.58 3.18 4 39 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL2324924. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VSJSIOZQNZPUAV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324924



BindingDB 50427749
Guide to Pharmacology 8147
Nikkaji J3.210.758C
PubChem 71605047
PubChem: Thomson Pharma 163689488
ZINC ZINC000095583928

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