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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520297
CHEMBL520297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25FN6O4S

Additional synonyms for CHEMBL520297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5ccc(F) ...
Download SMILES
Standard InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21( ...
Download InChI
Standard InChI Key AQZAJVBRYMBFPK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL520297

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
512.6 512.1642 2.63 6 127.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 5.18 3.58 1.59 3 36 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL520297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AQZAJVBRYMBFPK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520297



BindingDB 50268131
PubChem 44186623
PubChem: Thomson Pharma 85182041
ZINC ZINC000040937932

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